################################### # 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 52586 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Histone H4 tail 5-acetyl' _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 '15N-13C CON' . . . 52586 1 2 '15N-13C CCCON' . . . 52586 1 3 '15N-13C HACANCACON' . . . 52586 1 4 '15N-13C HACANCANCO' . . . 52586 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 . . 52586 1 2 $software_2 . . 52586 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 13 176.0 0.3 . 1 . . . . . 1 SER C . 52586 1 2 . 1 . 1 1 1 SER CA C 13 58.2 0.3 . 1 . . . . . 1 SER CA . 52586 1 3 . 1 . 1 1 1 SER CB C 13 56.08 0.3 . 1 . . . . . 1 SER CB . 52586 1 4 . 1 . 1 2 2 GLY C C 13 174.2 0.3 . 1 . . . . . 2 GLY C . 52586 1 5 . 1 . 1 2 2 GLY CA C 13 45.26 0.3 . 1 . . . . . 2 GLY CA . 52586 1 6 . 1 . 1 2 2 GLY N N 15 111.0 0.3 . 1 . . . . . 2 GLY N . 52586 1 7 . 1 . 1 3 3 ARG C C 13 176.9 0.3 . 1 . . . . . 3 ARG C . 52586 1 8 . 1 . 1 3 3 ARG CA C 13 56.35 0.3 . 1 . . . . . 3 ARG CA . 52586 1 9 . 1 . 1 3 3 ARG CB C 13 30.55 0.3 . 1 . . . . . 3 ARG CB . 52586 1 10 . 1 . 1 3 3 ARG CG C 13 26.63 0.3 . 1 . . . . . 3 ARG CG . 52586 1 11 . 1 . 1 3 3 ARG CD C 13 43.21 0.3 . 1 . . . . . 3 ARG CD . 52586 1 12 . 1 . 1 3 3 ARG N N 15 120.6 0.3 . 1 . . . . . 3 ARG N . 52586 1 13 . 1 . 1 4 4 GLY C C 13 174.3 0.3 . 1 . . . . . 4 GLY C . 52586 1 14 . 1 . 1 4 4 GLY CA C 13 45.36 0.3 . 1 . . . . . 4 GLY CA . 52586 1 15 . 1 . 1 4 4 GLY N N 15 109.5 0.3 . 1 . . . . . 4 GLY N . 52586 1 16 . 1 . 1 5 5 ALY C C 13 177.3 0.3 . 1 . . . . . 5 LYS C . 52586 1 17 . 1 . 1 5 5 ALY CA C 13 56.69 0.3 . 1 . . . . . 5 LYS CA . 52586 1 18 . 1 . 1 5 5 ALY CB C 13 33.06 0.3 . 1 . . . . . 5 LYS CB . 52586 1 19 . 1 . 1 5 5 ALY CG C 13 24.9 0.3 . 1 . . . . . 5 LYS CG . 52586 1 20 . 1 . 1 5 5 ALY CD C 13 30.5 0.3 . 1 . . . . . 5 LYS CD . 52586 1 21 . 1 . 1 5 5 ALY CE C 13 41.82 0.3 . 1 . . . . . 5 LYS CE . 52586 1 22 . 1 . 1 5 5 ALY N N 15 120.8 0.3 . 1 . . . . . 5 LYS N . 52586 1 23 . 1 . 1 6 6 GLY C C 13 174.6 0.3 . 1 . . . . . 6 GLY C . 52586 1 24 . 1 . 1 6 6 GLY CA C 13 45.36 0.3 . 1 . . . . . 6 GLY CA . 52586 1 25 . 1 . 1 6 6 GLY N N 15 109.9 0.3 . 1 . . . . . 6 GLY N . 52586 1 26 . 1 . 1 7 7 GLY C C 13 174.3 0.3 . 1 . . . . . 7 GLY C . 52586 1 27 . 1 . 1 7 7 GLY CA C 13 45.26 0.3 . 1 . . . . . 7 GLY CA . 52586 1 28 . 1 . 1 7 7 GLY N N 15 108.6 0.3 . 1 . . . . . 7 GLY N . 52586 1 29 . 1 . 1 8 8 ALY C C 13 177.5 0.3 . 1 . . . . . 8 LYS C . 52586 1 30 . 1 . 1 8 8 ALY CA C 13 56.7 0.3 . 1 . . . . . 8 LYS CA . 52586 1 31 . 1 . 1 8 8 ALY CB C 13 32.8 0.3 . 1 . . . . . 8 LYS CB . 52586 1 32 . 1 . 1 8 8 ALY CG C 13 24.89 0.3 . 1 . . . . . 8 LYS CG . 52586 1 33 . 1 . 1 8 8 ALY CD C 13 30.47 0.3 . 1 . . . . . 8 LYS CD . 52586 1 34 . 1 . 1 8 8 ALY CE C 13 41.91 0.3 . 1 . . . . . 8 LYS CE . 52586 1 35 . 1 . 1 8 8 ALY N N 15 120.8 0.3 . 1 . . . . . 8 LYS N . 52586 1 36 . 1 . 1 9 9 GLY C C 13 174.2 0.3 . 1 . . . . . 9 GLY CO . 52586 1 37 . 1 . 1 9 9 GLY CA C 13 45.36 0.3 . 1 . . . . . 9 GLY CA . 52586 1 38 . 1 . 1 9 9 GLY N N 15 109.2 0.3 . 1 . . . . . 9 GLY N . 52586 1 39 . 1 . 1 10 10 LEU C C 13 177.9 0.3 . 1 . . . . . 10 LEU C . 52586 1 40 . 1 . 1 10 10 LEU CA C 13 55.26 0.3 . 1 . . . . . 10 LEU CA . 52586 1 41 . 1 . 1 10 10 LEU CB C 13 42.44 0.3 . 1 . . . . . 10 LEU CB . 52586 1 42 . 1 . 1 10 10 LEU CG C 13 26.69 0.3 . 1 . . . . . 10 LEU CG . 52586 1 43 . 1 . 1 10 10 LEU CD1 C 13 24.61 0.3 . 2 . . . . . 10 LEU CD1 . 52586 1 44 . 1 . 1 10 10 LEU CD2 C 13 23.38 0.3 . 2 . . . . . 10 LEU CD2 . 52586 1 45 . 1 . 1 10 10 LEU N N 15 121.2 0.3 . 1 . . . . . 10 LEU N . 52586 1 46 . 1 . 1 11 11 GLY C C 13 174.2 0.3 . 1 . . . . . 11 GLY C . 52586 1 47 . 1 . 1 11 11 GLY CA C 13 45.36 0.3 . 1 . . . . . 11 GLY CA . 52586 1 48 . 1 . 1 11 11 GLY N N 15 109.2 0.3 . 1 . . . . . 11 GLY N . 52586 1 49 . 1 . 1 12 12 ALY C C 13 177.5 0.3 . 1 . . . . . 12 LYS C . 52586 1 50 . 1 . 1 12 12 ALY CA C 13 56.8 0.3 . 1 . . . . . 12 LYS CA . 52586 1 51 . 1 . 1 12 12 ALY CB C 13 32.9 0.3 . 1 . . . . . 12 LYS CB . 52586 1 52 . 1 . 1 12 12 ALY CG C 13 24.89 0.3 . 1 . . . . . 12 LYS CG . 52586 1 53 . 1 . 1 12 12 ALY CD C 13 30.47 0.3 . 1 . . . . . 12 LYS CD . 52586 1 54 . 1 . 1 12 12 ALY CE C 13 41.91 0.3 . 1 . . . . . 12 LYS CE . 52586 1 55 . 1 . 1 12 12 ALY N N 15 121.0 0.3 . 1 . . . . . 12 LYS N . 52586 1 56 . 1 . 1 13 13 GLY C C 13 175.6 0.3 . 1 . . . . . 13 GLY C . 52586 1 57 . 1 . 1 13 13 GLY CA C 13 45.56 0.3 . 1 . . . . . 13 GLY CA . 52586 1 58 . 1 . 1 13 13 GLY N N 15 109.7 0.3 . 1 . . . . . 13 GLY N . 52586 1 59 . 1 . 1 14 14 GLY C C 13 174.0 0.3 . 1 . . . . . 14 GLY C . 52586 1 60 . 1 . 1 14 14 GLY CA C 13 45.31 0.3 . 1 . . . . . 14 GLY CA . 52586 1 61 . 1 . 1 14 14 GLY N N 15 108.7 0.3 . 1 . . . . . 14 GLY N . 52586 1 62 . 1 . 1 15 15 ALA C C 13 177.8 0.3 . 1 . . . . . 15 ALA C . 52586 1 63 . 1 . 1 15 15 ALA CA C 13 52.54 0.3 . 1 . . . . . 15 ALA CA . 52586 1 64 . 1 . 1 15 15 ALA CB C 13 19.21 0.3 . 1 . . . . . 15 ALA CB . 52586 1 65 . 1 . 1 15 15 ALA N N 15 123.5 0.3 . 1 . . . . . 15 ALA N . 52586 1 66 . 1 . 1 16 16 ALY C C 13 176.9 0.3 . 1 . . . . . 16 LYS C . 52586 1 67 . 1 . 1 16 16 ALY CA C 13 56.7 0.3 . 1 . . . . . 16 LYS CA . 52586 1 68 . 1 . 1 16 16 ALY CB C 13 32.9 0.3 . 1 . . . . . 16 LYS CB . 52586 1 69 . 1 . 1 16 16 ALY CG C 13 24.85 0.3 . 1 . . . . . 16 LYS CG . 52586 1 70 . 1 . 1 16 16 ALY CD C 13 30.57 0.3 . 1 . . . . . 16 LYS CD . 52586 1 71 . 1 . 1 16 16 ALY CE C 13 41.91 0.3 . 1 . . . . . 16 LYS CE . 52586 1 72 . 1 . 1 16 16 ALY N N 15 120.1 0.3 . 1 . . . . . 16 LYS N . 52586 1 73 . 1 . 1 17 17 ARG C C 13 176.0 0.3 . 1 . . . . . 17 ARG C . 52586 1 74 . 1 . 1 17 17 ARG CA C 13 56.29 0.3 . 1 . . . . . 17 ARG CA . 52586 1 75 . 1 . 1 17 17 ARG CB C 13 30.46 0.3 . 1 . . . . . 17 ARG CB . 52586 1 76 . 1 . 1 17 17 ARG CG C 13 26.72 0.3 . 1 . . . . . 17 ARG CG . 52586 1 77 . 1 . 1 17 17 ARG CD C 13 43.17 0.3 . 1 . . . . . 17 ARG CD . 52586 1 78 . 1 . 1 17 17 ARG N N 15 121.3 0.3 . 1 . . . . . 17 ARG N . 52586 1 79 . 1 . 1 18 18 HIS C C 13 175.3 0.3 . 1 . . . . . 18 HIS C . 52586 1 80 . 1 . 1 18 18 HIS CA C 13 56.5 0.3 . 1 . . . . . 18 HIS CA . 52586 1 81 . 1 . 1 18 18 HIS CB C 13 30.85 0.3 . 1 . . . . . 18 HIS CB . 52586 1 82 . 1 . 1 18 18 HIS N N 15 120.2 0.3 . 1 . . . . . 18 HIS N . 52586 1 83 . 1 . 1 19 19 ARG C C 13 175.9 0.3 . 1 . . . . . 19 ARG C . 52586 1 84 . 1 . 1 19 19 ARG CA C 13 56.15 0.3 . 1 . . . . . 19 ARG CA . 52586 1 85 . 1 . 1 19 19 ARG CB C 13 30.64 0.3 . 1 . . . . . 19 ARG CB . 52586 1 86 . 1 . 1 19 19 ARG CG C 13 26.72 0.3 . 1 . . . . . 19 ARG CG . 52586 1 87 . 1 . 1 19 19 ARG CD C 13 43.3 0.3 . 1 . . . . . 19 ARG CD . 52586 1 88 . 1 . 1 19 19 ARG N N 15 121.8 0.3 . 1 . . . . . 19 ARG N . 52586 1 89 . 1 . 1 20 20 ALY C C 13 176.4 0.3 . 1 . . . . . 20 LYS C . 52586 1 90 . 1 . 1 20 20 ALY CA C 13 56.62 0.3 . 1 . . . . . 20 LYS CA . 52586 1 91 . 1 . 1 20 20 ALY CB C 13 33.19 0.3 . 1 . . . . . 20 LYS CB . 52586 1 92 . 1 . 1 20 20 ALY CG C 13 24.93 0.3 . 1 . . . . . 20 LYS CG . 52586 1 93 . 1 . 1 20 20 ALY CD C 13 30.56 0.3 . 1 . . . . . 20 LYS CD . 52586 1 94 . 1 . 1 20 20 ALY CE C 13 41.89 0.3 . 1 . . . . . 20 LYS CE . 52586 1 95 . 1 . 1 20 20 ALY N N 15 122.8 0.3 . 1 . . . . . 20 LYS N . 52586 1 96 . 1 . 1 21 21 VAL C C 13 175.7 0.3 . 1 . . . . . 21 VAL C . 52586 1 97 . 1 . 1 21 21 VAL CA C 13 62.18 0.3 . 1 . . . . . 21 VAL CA . 52586 1 98 . 1 . 1 21 21 VAL CB C 13 32.58 0.3 . 1 . . . . . 21 VAL CB . 52586 1 99 . 1 . 1 21 21 VAL CG1 C 13 20.62 0.3 . 2 . . . . . 21 VAL CG1 . 52586 1 100 . 1 . 1 21 21 VAL CG2 C 13 20.62 0.3 . 2 . . . . . 21 VAL CG2 . 52586 1 101 . 1 . 1 21 21 VAL N N 15 121.6 0.3 . 1 . . . . . 21 VAL N . 52586 1 102 . 1 . 1 22 22 LEU C C 13 176.8 0.3 . 1 . . . . . 22 LEU C . 52586 1 103 . 1 . 1 22 22 LEU CA C 13 54.87 0.3 . 1 . . . . . 22 LEU CA . 52586 1 104 . 1 . 1 22 22 LEU CB C 13 42.32 0.3 . 1 . . . . . 22 LEU CB . 52586 1 105 . 1 . 1 22 22 LEU CG C 13 32.8 0.3 . 1 . . . . . 22 LEU CG . 52586 1 106 . 1 . 1 22 22 LEU CD1 C 13 26.73 0.3 . 2 . . . . . 22 LEU CD1 . 52586 1 107 . 1 . 1 22 22 LEU CD2 C 13 23.68 0.3 . 2 . . . . . 22 LEU CD2 . 52586 1 108 . 1 . 1 22 22 LEU N N 15 126.2 0.3 . 1 . . . . . 22 LEU N . 52586 1 109 . 1 . 1 23 23 ARG C C 13 175.6 0.3 . 1 . . . . . 23 ARG C . 52586 1 110 . 1 . 1 23 23 ARG CA C 13 55.9 0.3 . 1 . . . . . 23 ARG CA . 52586 1 111 . 1 . 1 23 23 ARG CB C 13 30.85 0.3 . 1 . . . . . 23 ARG CB . 52586 1 112 . 1 . 1 23 23 ARG CG C 13 26.49 0.3 . 1 . . . . . 23 ARG CG . 52586 1 113 . 1 . 1 23 23 ARG CD C 13 43.2 0.3 . 1 . . . . . 23 ARG CD . 52586 1 114 . 1 . 1 23 23 ARG N N 15 121.4 0.3 . 1 . . . . . 23 ARG N . 52586 1 115 . 1 . 1 24 24 ASP C C 13 175.5 0.3 . 1 . . . . . 24 ASP C . 52586 1 116 . 1 . 1 24 24 ASP CA C 13 54.34 0.3 . 1 . . . . . 24 ASP CA . 52586 1 117 . 1 . 1 24 24 ASP CB C 13 41.2 0.3 . 1 . . . . . 24 ASP CB . 52586 1 118 . 1 . 1 24 24 ASP N N 15 120.7 0.3 . 1 . . . . . 24 ASP N . 52586 1 119 . 1 . 1 25 25 ASN C C 13 173.6 0.3 . 1 . . . . . 25 ASN C . 52586 1 120 . 1 . 1 25 25 ASN CA C 13 53.07 0.3 . 1 . . . . . 25 ASN CA . 52586 1 121 . 1 . 1 25 25 ASN CB C 13 39.01 0.3 . 1 . . . . . 25 ASN CB . 52586 1 122 . 1 . 1 25 25 ASN N N 15 118.1 0.3 . 1 . . . . . 25 ASN N . 52586 1 123 . 1 . 1 26 26 TRP N N 15 126.2 0.3 . 1 . . . . . 26 TRP N . 52586 1 stop_ save_