################################### # 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 52585 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Histone H4 tail' _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 15N-13C CON' . . . 52585 1 2 '3D 15N-13C CCCON' . . . 52585 1 3 '3D 15N-13C HACANCACON' . . . 52585 1 4 '15N-13C HACANCANCO' . . . 52585 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 . . 52585 1 2 $software_2 . . 52585 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 1 1 SER C C 13 175.8 0.3 . 1 . . . . . 1 SER C . 52585 1 2 . 1 . 1 1 1 SER CA C 13 58.02 0.3 . 1 . . . . . 1 SER CA . 52585 1 3 . 1 . 1 1 1 SER CB C 13 65.41 0.3 . 1 . . . . . 1 SER CB . 52585 1 4 . 1 . 1 2 2 GLY C C 13 174.3 0.3 . 1 . . . . . 2 GLY C . 52585 1 5 . 1 . 1 2 2 GLY CA C 13 42.85 0.3 . 1 . . . . . 2 GLY CA . 52585 1 6 . 1 . 1 2 2 GLY N N 15 111.2 0.3 . 1 . . . . . 2 GLY N . 52585 1 7 . 1 . 1 3 3 ARG C C 13 177.1 0.3 . 1 . . . . . 3 ARG C . 52585 1 8 . 1 . 1 3 3 ARG CA C 13 56.35 0.3 . 1 . . . . . 3 ARG CA . 52585 1 9 . 1 . 1 3 3 ARG CB C 13 30.63 0.3 . 1 . . . . . 3 ARG CB . 52585 1 10 . 1 . 1 3 3 ARG CG C 13 27.24 0.3 . 1 . . . . . 3 ARG CG . 52585 1 11 . 1 . 1 3 3 ARG CD C 13 43.23 0.3 . 1 . . . . . 3 ARG CD . 52585 1 12 . 1 . 1 3 3 ARG N N 15 120.6 0.3 . 1 . . . . . 3 ARG N . 52585 1 13 . 1 . 1 4 4 GLY C C 13 174.3 0.3 . 1 . . . . . 4 GLY C . 52585 1 14 . 1 . 1 4 4 GLY CA C 13 42.96 0.3 . 1 . . . . . 4 GLY CA . 52585 1 15 . 1 . 1 4 4 GLY N N 15 110.1 0.3 . 1 . . . . . 4 GLY N . 52585 1 16 . 1 . 1 5 5 LYS C C 13 177.2 0.3 . 1 . . . . . 5 LYS C . 52585 1 17 . 1 . 1 5 5 LYS CA C 13 56.41 0.3 . 1 . . . . . 5 LYS CA . 52585 1 18 . 1 . 1 5 5 LYS CB C 13 32.9 0.3 . 1 . . . . . 5 LYS CB . 52585 1 19 . 1 . 1 5 5 LYS CG C 13 24.79 0.3 . 1 . . . . . 5 LYS CG . 52585 1 20 . 1 . 1 5 5 LYS CD C 13 29.13 0.3 . 1 . . . . . 5 LYS CD . 52585 1 21 . 1 . 1 5 5 LYS CE C 13 42.1 0.3 . 1 . . . . . 5 LYS CE . 52585 1 22 . 1 . 1 5 5 LYS N N 15 120.9 0.3 . 1 . . . . . 5 LYS N . 52585 1 23 . 1 . 1 6 6 GLY C C 13 174.7 0.3 . 1 . . . . . 6 GLY C . 52585 1 24 . 1 . 1 6 6 GLY CA C 13 42.96 0.3 . 1 . . . . . 6 GLY CA . 52585 1 25 . 1 . 1 6 6 GLY N N 15 109.9 0.3 . 1 . . . . . 6 GLY N . 52585 1 26 . 1 . 1 7 7 GLY C C 13 174.3 0.3 . 1 . . . . . 7 GLY C . 52585 1 27 . 1 . 1 7 7 GLY CA C 13 42.8 0.3 . 1 . . . . . 7 GLY CA . 52585 1 28 . 1 . 1 7 7 GLY N N 15 108.8 0.3 . 1 . . . . . 7 GLY N . 52585 1 29 . 1 . 1 8 8 LYS C C 13 177.4 0.3 . 1 . . . . . 8 LYS C . 52585 1 30 . 1 . 1 8 8 LYS CA C 13 56.39 0.3 . 1 . . . . . 8 LYS CA . 52585 1 31 . 1 . 1 8 8 LYS CB C 13 32.89 0.3 . 1 . . . . . 8 LYS CB . 52585 1 32 . 1 . 1 8 8 LYS CG C 13 24.69 0.3 . 1 . . . . . 8 LYS CG . 52585 1 33 . 1 . 1 8 8 LYS CD C 13 29.13 0.3 . 1 . . . . . 8 LYS CD . 52585 1 34 . 1 . 1 8 8 LYS CE C 13 42.1 0.3 . 1 . . . . . 8 LYS CE . 52585 1 35 . 1 . 1 8 8 LYS N N 15 120.8 0.3 . 1 . . . . . 8 LYS N . 52585 1 36 . 1 . 1 9 9 GLY C C 13 174.2 0.3 . 1 . . . . . 9 GLY CO . 52585 1 37 . 1 . 1 9 9 GLY CA C 13 45.32 0.3 . 1 . . . . . 9 GLY CA . 52585 1 38 . 1 . 1 9 9 GLY N N 15 110.1 0.3 . 1 . . . . . 9 GLY N . 52585 1 39 . 1 . 1 10 10 LEU C C 13 178.0 0.3 . 1 . . . . . 10 LEU C . 52585 1 40 . 1 . 1 10 10 LEU CA C 13 55.16 0.3 . 1 . . . . . 10 LEU CA . 52585 1 41 . 1 . 1 10 10 LEU CB C 13 42.61 0.3 . 1 . . . . . 10 LEU CB . 52585 1 42 . 1 . 1 10 10 LEU CG C 13 26.86 0.3 . 1 . . . . . 10 LEU CG . 52585 1 43 . 1 . 1 10 10 LEU CD1 C 13 24.92 0.3 . 2 . . . . . 10 LEU CD1 . 52585 1 44 . 1 . 1 10 10 LEU CD2 C 13 23.14 0.3 . 2 . . . . . 10 LEU CD2 . 52585 1 45 . 1 . 1 10 10 LEU N N 15 121.4 0.3 . 1 . . . . . 10 LEU N . 52585 1 46 . 1 . 1 11 11 GLY C C 13 174.3 0.3 . 1 . . . . . 11 GLY C . 52585 1 47 . 1 . 1 11 11 GLY CA C 13 45.24 0.3 . 1 . . . . . 11 GLY CA . 52585 1 48 . 1 . 1 11 11 GLY N N 15 109.4 0.3 . 1 . . . . . 11 GLY N . 52585 1 49 . 1 . 1 12 12 LYS C C 13 177.4 0.3 . 1 . . . . . 12 LYS C . 52585 1 50 . 1 . 1 12 12 LYS CA C 13 56.37 0.3 . 1 . . . . . 12 LYS CA . 52585 1 51 . 1 . 1 12 12 LYS CB C 13 32.95 0.3 . 1 . . . . . 12 LYS CB . 52585 1 52 . 1 . 1 12 12 LYS CG C 13 24.68 0.3 . 1 . . . . . 12 LYS CG . 52585 1 53 . 1 . 1 12 12 LYS CD C 13 29.2 0.3 . 1 . . . . . 12 LYS CD . 52585 1 54 . 1 . 1 12 12 LYS CE C 13 42.08 0.3 . 1 . . . . . 12 LYS CE . 52585 1 55 . 1 . 1 12 12 LYS N N 15 121.1 0.3 . 1 . . . . . 12 LYS N . 52585 1 56 . 1 . 1 13 13 GLY C C 13 174.7 0.3 . 1 . . . . . 13 GLY C . 52585 1 57 . 1 . 1 13 13 GLY CA C 13 45.33 0.3 . 1 . . . . . 13 GLY CA . 52585 1 58 . 1 . 1 13 13 GLY N N 15 110.0 0.3 . 1 . . . . . 13 GLY N . 52585 1 59 . 1 . 1 14 14 GLY C C 13 174.0 0.3 . 1 . . . . . 14 GLY C . 52585 1 60 . 1 . 1 14 14 GLY CA C 13 45.18 0.3 . 1 . . . . . 14 GLY CA . 52585 1 61 . 1 . 1 14 14 GLY N N 15 108.8 0.3 . 1 . . . . . 14 GLY N . 52585 1 62 . 1 . 1 15 15 ALA C C 13 177.9 0.3 . 1 . . . . . 15 ALA C . 52585 1 63 . 1 . 1 15 15 ALA CA C 13 52.41 0.3 . 1 . . . . . 15 ALA CA . 52585 1 64 . 1 . 1 15 15 ALA CB C 13 19.61 0.3 . 1 . . . . . 15 ALA CB . 52585 1 65 . 1 . 1 15 15 ALA N N 15 123.7 0.3 . 1 . . . . . 15 ALA N . 52585 1 66 . 1 . 1 16 16 LYS C C 13 176.6 0.3 . 1 . . . . . 16 LYS C . 52585 1 67 . 1 . 1 16 16 LYS CA C 13 56.32 0.3 . 1 . . . . . 16 LYS CA . 52585 1 68 . 1 . 1 16 16 LYS CB C 13 32.84 0.3 . 1 . . . . . 16 LYS CB . 52585 1 69 . 1 . 1 16 16 LYS CG C 13 24.84 0.3 . 1 . . . . . 16 LYS CG . 52585 1 70 . 1 . 1 16 16 LYS CD C 13 29.08 0.3 . 1 . . . . . 16 LYS CD . 52585 1 71 . 1 . 1 16 16 LYS CE C 13 42.08 0.3 . 1 . . . . . 16 LYS CE . 52585 1 72 . 1 . 1 16 16 LYS N N 15 120.4 0.3 . 1 . . . . . 16 LYS N . 52585 1 73 . 1 . 1 17 17 ARG C C 13 176.0 0.3 . 1 . . . . . 17 ARG C . 52585 1 74 . 1 . 1 17 17 ARG CA C 13 56.05 0.3 . 1 . . . . . 17 ARG CA . 52585 1 75 . 1 . 1 17 17 ARG CB C 13 30.67 0.3 . 1 . . . . . 17 ARG CB . 52585 1 76 . 1 . 1 17 17 ARG CG C 13 27.08 0.3 . 1 . . . . . 17 ARG CG . 52585 1 77 . 1 . 1 17 17 ARG CD C 13 43.22 0.3 . 1 . . . . . 17 ARG CD . 52585 1 78 . 1 . 1 17 17 ARG N N 15 121.7 0.3 . 1 . . . . . 17 ARG N . 52585 1 79 . 1 . 1 18 18 HIS C C 13 175.3 0.3 . 1 . . . . . 18 HIS C . 52585 1 80 . 1 . 1 18 18 HIS CA C 13 56.25 0.3 . 1 . . . . . 18 HIS CA . 52585 1 81 . 1 . 1 18 18 HIS CB C 13 30.94 0.3 . 1 . . . . . 18 HIS CB . 52585 1 82 . 1 . 1 18 18 HIS N N 15 120.9 0.3 . 1 . . . . . 18 HIS N . 52585 1 83 . 1 . 1 19 19 ARG C C 13 175.9 0.3 . 1 . . . . . 19 ARG C . 52585 1 84 . 1 . 1 19 19 ARG CA C 13 56.06 0.3 . 1 . . . . . 19 ARG CA . 52585 1 85 . 1 . 1 19 19 ARG CB C 13 30.86 0.3 . 1 . . . . . 19 ARG CB . 52585 1 86 . 1 . 1 19 19 ARG CG C 13 27.27 0.3 . 1 . . . . . 19 ARG CG . 52585 1 87 . 1 . 1 19 19 ARG CD C 13 43.3 0.3 . 1 . . . . . 19 ARG CD . 52585 1 88 . 1 . 1 19 19 ARG N N 15 122.5 0.3 . 1 . . . . . 19 ARG N . 52585 1 89 . 1 . 1 20 20 LYS C C 13 176.2 0.3 . 1 . . . . . 20 LYS C . 52585 1 90 . 1 . 1 20 20 LYS CA C 13 56.4 0.3 . 1 . . . . . 20 LYS CA . 52585 1 91 . 1 . 1 20 20 LYS CB C 13 32.95 0.3 . 1 . . . . . 20 LYS CB . 52585 1 92 . 1 . 1 20 20 LYS CG C 13 24.87 0.3 . 1 . . . . . 20 LYS CG . 52585 1 93 . 1 . 1 20 20 LYS CD C 13 29.24 0.3 . 1 . . . . . 20 LYS CD . 52585 1 94 . 1 . 1 20 20 LYS CE C 13 42.03 0.3 . 1 . . . . . 20 LYS CE . 52585 1 95 . 1 . 1 20 20 LYS N N 15 123.0 0.3 . 1 . . . . . 20 LYS N . 52585 1 96 . 1 . 1 21 21 VAL C C 13 175.8 0.3 . 1 . . . . . 21 VAL C . 52585 1 97 . 1 . 1 21 21 VAL CA C 13 62.07 0.3 . 1 . . . . . 21 VAL CA . 52585 1 98 . 1 . 1 21 21 VAL CB C 13 32.75 0.3 . 1 . . . . . 21 VAL CB . 52585 1 99 . 1 . 1 21 21 VAL CG1 C 13 20.77 0.3 . 2 . . . . . 21 VAL CG1 . 52585 1 100 . 1 . 1 21 21 VAL CG2 C 13 21.77 0.3 . 2 . . . . . 21 VAL CG2 . 52585 1 101 . 1 . 1 21 21 VAL N N 15 121.8 0.3 . 1 . . . . . 21 VAL N . 52585 1 102 . 1 . 1 22 22 LEU C C 13 176.8 0.3 . 1 . . . . . 22 LEU C . 52585 1 103 . 1 . 1 22 22 LEU CA C 13 54.96 0.3 . 1 . . . . . 22 LEU CA . 52585 1 104 . 1 . 1 22 22 LEU CB C 13 42.33 0.3 . 1 . . . . . 22 LEU CB . 52585 1 105 . 1 . 1 22 22 LEU CG C 13 26.98 0.3 . 1 . . . . . 22 LEU CG . 52585 1 106 . 1 . 1 22 22 LEU CD1 C 13 24.68 0.3 . 2 . . . . . 22 LEU CD1 . 52585 1 107 . 1 . 1 22 22 LEU CD2 C 13 23.64 0.3 . 2 . . . . . 22 LEU CD2 . 52585 1 108 . 1 . 1 22 22 LEU N N 15 126.3 0.3 . 1 . . . . . 22 LEU N . 52585 1 109 . 1 . 1 23 23 ARG C C 13 175.6 0.3 . 1 . . . . . 23 ARG C . 52585 1 110 . 1 . 1 23 23 ARG CA C 13 55.77 0.3 . 1 . . . . . 23 ARG CA . 52585 1 111 . 1 . 1 23 23 ARG CB C 13 30.94 0.3 . 1 . . . . . 23 ARG CB . 52585 1 112 . 1 . 1 23 23 ARG CG C 13 26.9 0.3 . 1 . . . . . 23 ARG CG . 52585 1 113 . 1 . 1 23 23 ARG CD C 13 43.22 0.3 . 1 . . . . . 23 ARG CD . 52585 1 114 . 1 . 1 23 23 ARG N N 15 121.6 0.3 . 1 . . . . . 23 ARG N . 52585 1 115 . 1 . 1 24 24 ASP C C 13 175.5 0.3 . 1 . . . . . 24 ASP C . 52585 1 116 . 1 . 1 24 24 ASP CA C 13 54.34 0.3 . 1 . . . . . 24 ASP CA . 52585 1 117 . 1 . 1 24 24 ASP CB C 13 41.23 0.3 . 1 . . . . . 24 ASP CB . 52585 1 118 . 1 . 1 24 24 ASP N N 15 120.8 0.3 . 1 . . . . . 24 ASP N . 52585 1 119 . 1 . 1 25 25 ASN C C 13 173.7 0.3 . 1 . . . . . 25 ASN C . 52585 1 120 . 1 . 1 25 25 ASN CA C 13 52.98 0.3 . 1 . . . . . 25 ASN CA . 52585 1 121 . 1 . 1 25 25 ASN CB C 13 39.31 0.3 . 1 . . . . . 25 ASN CB . 52585 1 122 . 1 . 1 25 25 ASN N N 15 118.2 0.3 . 1 . . . . . 25 ASN N . 52585 1 123 . 1 . 1 26 26 TRP N N 15 126.2 0.3 . 1 . . . . . 26 TRP N . 52585 1 stop_ save_