################################### # 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 51262 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name H3histonetailNuc _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 '3D HNCO' . . . 51262 1 2 '3D HN(CO)CA' . . . 51262 1 3 '3D HNCA' . . . 51262 1 4 '3D HN(COCA)CB' . . . 51262 1 5 3DHN(CA)CO . . . 51262 1 6 '3D HNCACB' . . . 51262 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 . . 51262 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 ALA C C 13 173.754 0.300 . 1 . . . . . 1 ALA C . 51262 1 2 . 1 . 1 1 1 ALA CA C 13 51.210 0.300 . 1 . . . . . 1 ALA CA . 51262 1 3 . 1 . 1 1 1 ALA CB C 13 18.927 0.300 . 1 . . . . . 1 ALA CB . 51262 1 4 . 1 . 1 2 2 ARG H H 1 8.734 0.030 . 1 . . . . . 2 ARG H . 51262 1 5 . 1 . 1 2 2 ARG C C 13 176.400 0.300 . 1 . . . . . 2 ARG C . 51262 1 6 . 1 . 1 2 2 ARG CA C 13 55.894 0.300 . 1 . . . . . 2 ARG CA . 51262 1 7 . 1 . 1 2 2 ARG CB C 13 30.045 0.300 . 1 . . . . . 2 ARG CB . 51262 1 8 . 1 . 1 2 2 ARG N N 15 121.054 0.300 . 1 . . . . . 2 ARG N . 51262 1 9 . 1 . 1 3 3 THR H H 1 8.326 0.030 . 1 . . . . . 3 THR H . 51262 1 10 . 1 . 1 3 3 THR C C 13 174.463 0.300 . 1 . . . . . 3 THR C . 51262 1 11 . 1 . 1 3 3 THR CA C 13 61.647 0.300 . 1 . . . . . 3 THR CA . 51262 1 12 . 1 . 1 3 3 THR CB C 13 69.578 0.300 . 1 . . . . . 3 THR CB . 51262 1 13 . 1 . 1 3 3 THR N N 15 116.949 0.300 . 1 . . . . . 3 THR N . 51262 1 14 . 1 . 1 4 4 LYS H H 1 8.478 0.030 . 1 . . . . . 4 LYS H . 51262 1 15 . 1 . 1 4 4 LYS C C 13 176.590 0.300 . 1 . . . . . 4 LYS C . 51262 1 16 . 1 . 1 4 4 LYS CA C 13 56.220 0.300 . 1 . . . . . 4 LYS CA . 51262 1 17 . 1 . 1 4 4 LYS CB C 13 32.394 0.300 . 1 . . . . . 4 LYS CB . 51262 1 18 . 1 . 1 4 4 LYS N N 15 124.334 0.300 . 1 . . . . . 4 LYS N . 51262 1 19 . 1 . 1 5 5 GLN H H 1 8.560 0.030 . 1 . . . . . 5 GLN H . 51262 1 20 . 1 . 1 5 5 GLN C C 13 176.234 0.300 . 1 . . . . . 5 GLN C . 51262 1 21 . 1 . 1 5 5 GLN CA C 13 55.806 0.300 . 1 . . . . . 5 GLN CA . 51262 1 22 . 1 . 1 5 5 GLN CB C 13 28.872 0.300 . 1 . . . . . 5 GLN CB . 51262 1 23 . 1 . 1 5 5 GLN N N 15 122.422 0.300 . 1 . . . . . 5 GLN N . 51262 1 24 . 1 . 1 6 6 THR H H 1 8.119 0.030 . 1 . . . . . 6 THR H . 51262 1 25 . 1 . 1 6 6 THR C C 13 174.333 0.300 . 1 . . . . . 6 THR C . 51262 1 26 . 1 . 1 6 6 THR CA C 13 61.607 0.300 . 1 . . . . . 6 THR CA . 51262 1 27 . 1 . 1 6 6 THR CB C 13 69.573 0.300 . 1 . . . . . 6 THR CB . 51262 1 28 . 1 . 1 6 6 THR N N 15 115.801 0.300 . 1 . . . . . 6 THR N . 51262 1 29 . 1 . 1 7 7 ALA H H 1 8.323 0.030 . 1 . . . . . 7 ALA H . 51262 1 30 . 1 . 1 7 7 ALA C C 13 177.684 0.300 . 1 . . . . . 7 ALA C . 51262 1 31 . 1 . 1 7 7 ALA CA C 13 51.973 0.300 . 1 . . . . . 7 ALA CA . 51262 1 32 . 1 . 1 7 7 ALA CB C 13 18.738 0.300 . 1 . . . . . 7 ALA CB . 51262 1 33 . 1 . 1 7 7 ALA N N 15 126.659 0.300 . 1 . . . . . 7 ALA N . 51262 1 34 . 1 . 1 8 8 ARG H H 1 8.277 0.030 . 1 . . . . . 8 ARG H . 51262 1 35 . 1 . 1 8 8 ARG C C 13 176.472 0.300 . 1 . . . . . 8 ARG C . 51262 1 36 . 1 . 1 8 8 ARG CA C 13 55.790 0.300 . 1 . . . . . 8 ARG CA . 51262 1 37 . 1 . 1 8 8 ARG CB C 13 29.821 0.300 . 1 . . . . . 8 ARG CB . 51262 1 38 . 1 . 1 8 8 ARG N N 15 120.842 0.300 . 1 . . . . . 8 ARG N . 51262 1 39 . 1 . 1 9 9 LYS H H 1 8.396 0.030 . 1 . . . . . 9 LYS H . 51262 1 40 . 1 . 1 9 9 LYS C C 13 176.733 0.300 . 1 . . . . . 9 LYS C . 51262 1 41 . 1 . 1 9 9 LYS CA C 13 56.013 0.300 . 1 . . . . . 9 LYS CA . 51262 1 42 . 1 . 1 9 9 LYS CB C 13 32.394 0.300 . 1 . . . . . 9 LYS CB . 51262 1 43 . 1 . 1 9 9 LYS N N 15 123.210 0.300 . 1 . . . . . 9 LYS N . 51262 1 44 . 1 . 1 10 10 SER H H 1 8.402 0.030 . 1 . . . . . 10 SER H . 51262 1 45 . 1 . 1 10 10 SER C C 13 175.058 0.300 . 1 . . . . . 10 SER C . 51262 1 46 . 1 . 1 10 10 SER CA C 13 57.967 0.300 . 1 . . . . . 10 SER CA . 51262 1 47 . 1 . 1 10 10 SER CB C 13 63.461 0.300 . 1 . . . . . 10 SER CB . 51262 1 48 . 1 . 1 10 10 SER N N 15 117.490 0.300 . 1 . . . . . 10 SER N . 51262 1 49 . 1 . 1 11 11 THR H H 1 8.226 0.030 . 1 . . . . . 11 THR H . 51262 1 50 . 1 . 1 11 11 THR C C 13 175.379 0.300 . 1 . . . . . 11 THR C . 51262 1 51 . 1 . 1 11 11 THR CA C 13 61.503 0.300 . 1 . . . . . 11 THR CA . 51262 1 52 . 1 . 1 11 11 THR CB C 13 69.480 0.300 . 1 . . . . . 11 THR CB . 51262 1 53 . 1 . 1 11 11 THR N N 15 115.695 0.300 . 1 . . . . . 11 THR N . 51262 1 54 . 1 . 1 12 12 GLY H H 1 8.410 0.030 . 1 . . . . . 12 GLY H . 51262 1 55 . 1 . 1 12 12 GLY C C 13 174.689 0.300 . 1 . . . . . 12 GLY C . 51262 1 56 . 1 . 1 12 12 GLY CA C 13 45.164 0.300 . 1 . . . . . 12 GLY CA . 51262 1 57 . 1 . 1 12 12 GLY N N 15 111.280 0.300 . 1 . . . . . 12 GLY N . 51262 1 58 . 1 . 1 13 13 GLY H H 1 8.264 0.030 . 1 . . . . . 13 GLY H . 51262 1 59 . 1 . 1 13 13 GLY C C 13 173.988 0.300 . 1 . . . . . 13 GLY C . 51262 1 60 . 1 . 1 13 13 GLY CA C 13 44.721 0.300 . 1 . . . . . 13 GLY CA . 51262 1 61 . 1 . 1 13 13 GLY N N 15 109.229 0.300 . 1 . . . . . 13 GLY N . 51262 1 62 . 1 . 1 14 14 LYS H H 1 8.142 0.030 . 1 . . . . . 14 LYS H . 51262 1 63 . 1 . 1 14 14 LYS C C 13 176.186 0.300 . 1 . . . . . 14 LYS C . 51262 1 64 . 1 . 1 14 14 LYS CA C 13 55.479 0.300 . 1 . . . . . 14 LYS CA . 51262 1 65 . 1 . 1 14 14 LYS CB C 13 32.413 0.300 . 1 . . . . . 14 LYS CB . 51262 1 66 . 1 . 1 14 14 LYS N N 15 121.193 0.300 . 1 . . . . . 14 LYS N . 51262 1 67 . 1 . 1 15 15 ALA H H 1 8.380 0.030 . 1 . . . . . 15 ALA H . 51262 1 68 . 1 . 1 15 15 ALA C C 13 175.476 0.300 . 1 . . . . . 15 ALA C . 51262 1 69 . 1 . 1 15 15 ALA N N 15 127.170 0.300 . 1 . . . . . 15 ALA N . 51262 1 70 . 1 . 1 16 16 PRO C C 13 177.069 0.300 . 1 . . . . . 16 PRO C . 51262 1 71 . 1 . 1 16 16 PRO CA C 13 62.746 0.300 . 1 . . . . . 16 PRO CA . 51262 1 72 . 1 . 1 16 16 PRO CB C 13 31.462 0.300 . 1 . . . . . 16 PRO CB . 51262 1 73 . 1 . 1 17 17 ARG H H 1 8.429 0.030 . 1 . . . . . 17 ARG H . 51262 1 74 . 1 . 1 17 17 ARG C C 13 176.590 0.300 . 1 . . . . . 17 ARG C . 51262 1 75 . 1 . 1 17 17 ARG CA C 13 55.806 0.300 . 1 . . . . . 17 ARG CA . 51262 1 76 . 1 . 1 17 17 ARG CB C 13 30.115 0.300 . 1 . . . . . 17 ARG CB . 51262 1 77 . 1 . 1 17 17 ARG N N 15 121.880 0.300 . 1 . . . . . 17 ARG N . 51262 1 78 . 1 . 1 18 18 LYS H H 1 8.401 0.030 . 1 . . . . . 18 LYS H . 51262 1 79 . 1 . 1 18 18 LYS C C 13 176.567 0.300 . 1 . . . . . 18 LYS C . 51262 1 80 . 1 . 1 18 18 LYS CA C 13 56.116 0.300 . 1 . . . . . 18 LYS CA . 51262 1 81 . 1 . 1 18 18 LYS CB C 13 32.187 0.300 . 1 . . . . . 18 LYS CB . 51262 1 82 . 1 . 1 18 18 LYS N N 15 123.129 0.300 . 1 . . . . . 18 LYS N . 51262 1 83 . 1 . 1 19 19 GLN H H 1 8.385 0.030 . 1 . . . . . 19 GLN H . 51262 1 84 . 1 . 1 19 19 GLN C C 13 175.961 0.300 . 1 . . . . . 19 GLN C . 51262 1 85 . 1 . 1 19 19 GLN CA C 13 55.635 0.300 . 1 . . . . . 19 GLN CA . 51262 1 86 . 1 . 1 19 19 GLN CB C 13 28.680 0.300 . 1 . . . . . 19 GLN CB . 51262 1 87 . 1 . 1 19 19 GLN N N 15 121.995 0.300 . 1 . . . . . 19 GLN N . 51262 1 88 . 1 . 1 20 20 LEU H H 1 8.282 0.030 . 1 . . . . . 20 LEU H . 51262 1 89 . 1 . 1 20 20 LEU C C 13 177.339 0.300 . 1 . . . . . 20 LEU C . 51262 1 90 . 1 . 1 20 20 LEU CA C 13 54.873 0.300 . 1 . . . . . 20 LEU CA . 51262 1 91 . 1 . 1 20 20 LEU CB C 13 41.407 0.300 . 1 . . . . . 20 LEU CB . 51262 1 92 . 1 . 1 20 20 LEU N N 15 124.026 0.300 . 1 . . . . . 20 LEU N . 51262 1 93 . 1 . 1 21 21 ALA H H 1 8.334 0.030 . 1 . . . . . 21 ALA H . 51262 1 94 . 1 . 1 21 21 ALA C C 13 178.064 0.300 . 1 . . . . . 21 ALA C . 51262 1 95 . 1 . 1 21 21 ALA CA C 13 52.265 0.300 . 1 . . . . . 21 ALA CA . 51262 1 96 . 1 . 1 21 21 ALA CB C 13 18.521 0.300 . 1 . . . . . 21 ALA CB . 51262 1 97 . 1 . 1 21 21 ALA N N 15 124.938 0.300 . 1 . . . . . 21 ALA N . 51262 1 98 . 1 . 1 22 22 THR H H 1 8.006 0.030 . 1 . . . . . 22 THR H . 51262 1 99 . 1 . 1 22 22 THR C C 13 174.808 0.300 . 1 . . . . . 22 THR C . 51262 1 100 . 1 . 1 22 22 THR CA C 13 61.607 0.300 . 1 . . . . . 22 THR CA . 51262 1 101 . 1 . 1 22 22 THR CB C 13 69.273 0.300 . 1 . . . . . 22 THR CB . 51262 1 102 . 1 . 1 22 22 THR N N 15 113.740 0.300 . 1 . . . . . 22 THR N . 51262 1 103 . 1 . 1 23 23 LYS H H 1 8.261 0.030 . 1 . . . . . 23 LYS H . 51262 1 104 . 1 . 1 23 23 LYS C C 13 176.674 0.300 . 1 . . . . . 23 LYS C . 51262 1 105 . 1 . 1 23 23 LYS CA C 13 56.427 0.300 . 1 . . . . . 23 LYS CA . 51262 1 106 . 1 . 1 23 23 LYS CB C 13 32.394 0.300 . 1 . . . . . 23 LYS CB . 51262 1 107 . 1 . 1 23 23 LYS N N 15 123.865 0.300 . 1 . . . . . 23 LYS N . 51262 1 108 . 1 . 1 24 24 ALA H H 1 8.242 0.030 . 1 . . . . . 24 ALA H . 51262 1 109 . 1 . 1 24 24 ALA C C 13 177.743 0.300 . 1 . . . . . 24 ALA C . 51262 1 110 . 1 . 1 24 24 ALA CA C 13 52.180 0.300 . 1 . . . . . 24 ALA CA . 51262 1 111 . 1 . 1 24 24 ALA CB C 13 18.720 0.300 . 1 . . . . . 24 ALA CB . 51262 1 112 . 1 . 1 24 24 ALA N N 15 125.015 0.300 . 1 . . . . . 24 ALA N . 51262 1 113 . 1 . 1 25 25 ALA H H 1 8.147 0.030 . 1 . . . . . 25 ALA H . 51262 1 114 . 1 . 1 25 25 ALA C C 13 178.052 0.300 . 1 . . . . . 25 ALA C . 51262 1 115 . 1 . 1 25 25 ALA CA C 13 52.076 0.300 . 1 . . . . . 25 ALA CA . 51262 1 116 . 1 . 1 25 25 ALA CB C 13 18.513 0.300 . 1 . . . . . 25 ALA CB . 51262 1 117 . 1 . 1 25 25 ALA N N 15 123.421 0.300 . 1 . . . . . 25 ALA N . 51262 1 118 . 1 . 1 26 26 ARG H H 1 8.186 0.030 . 1 . . . . . 26 ARG H . 51262 1 119 . 1 . 1 26 26 ARG C C 13 176.650 0.300 . 1 . . . . . 26 ARG C . 51262 1 120 . 1 . 1 26 26 ARG CA C 13 55.790 0.300 . 1 . . . . . 26 ARG CA . 51262 1 121 . 1 . 1 26 26 ARG CB C 13 29.769 0.300 . 1 . . . . . 26 ARG CB . 51262 1 122 . 1 . 1 26 26 ARG N N 15 120.516 0.300 . 1 . . . . . 26 ARG N . 51262 1 123 . 1 . 1 27 27 LYS H H 1 8.313 0.030 . 1 . . . . . 27 LYS H . 51262 1 124 . 1 . 1 27 27 LYS C C 13 176.640 0.300 . 1 . . . . . 27 LYS C . 51262 1 125 . 1 . 1 27 27 LYS CA C 13 56.116 0.300 . 1 . . . . . 27 LYS CA . 51262 1 126 . 1 . 1 27 27 LYS CB C 13 31.980 0.300 . 1 . . . . . 27 LYS CB . 51262 1 127 . 1 . 1 27 27 LYS N N 15 122.730 0.300 . 1 . . . . . 27 LYS N . 51262 1 128 . 1 . 1 28 28 SER H H 1 8.197 0.030 . 1 . . . . . 28 SER H . 51262 1 129 . 1 . 1 28 28 SER C C 13 173.668 0.300 . 1 . . . . . 28 SER C . 51262 1 130 . 1 . 1 28 28 SER CA C 13 57.863 0.300 . 1 . . . . . 28 SER CA . 51262 1 131 . 1 . 1 28 28 SER CB C 13 63.876 0.300 . 1 . . . . . 28 SER CB . 51262 1 132 . 1 . 1 28 28 SER N N 15 117.174 0.300 . 1 . . . . . 28 SER N . 51262 1 133 . 1 . 1 29 29 ALA H H 1 8.236 0.030 . 1 . . . . . 29 ALA H . 51262 1 134 . 1 . 1 29 29 ALA C C 13 175.405 0.300 . 1 . . . . . 29 ALA C . 51262 1 135 . 1 . 1 29 29 ALA N N 15 127.244 0.300 . 1 . . . . . 29 ALA N . 51262 1 136 . 1 . 1 30 30 PRO C C 13 176.902 0.300 . 1 . . . . . 30 PRO C . 51262 1 137 . 1 . 1 30 30 PRO CA C 13 62.850 0.300 . 1 . . . . . 30 PRO CA . 51262 1 138 . 1 . 1 30 30 PRO CB C 13 31.358 0.300 . 1 . . . . . 30 PRO CB . 51262 1 139 . 1 . 1 31 31 ALA H H 1 8.463 0.030 . 1 . . . . . 31 ALA H . 51262 1 140 . 1 . 1 31 31 ALA C C 13 178.230 0.300 . 1 . . . . . 31 ALA C . 51262 1 141 . 1 . 1 31 31 ALA CA C 13 52.284 0.300 . 1 . . . . . 31 ALA CA . 51262 1 142 . 1 . 1 31 31 ALA CB C 13 18.409 0.300 . 1 . . . . . 31 ALA CB . 51262 1 143 . 1 . 1 31 31 ALA N N 15 124.725 0.300 . 1 . . . . . 31 ALA N . 51262 1 144 . 1 . 1 32 32 THR H H 1 8.042 0.030 . 1 . . . . . 32 THR H . 51262 1 145 . 1 . 1 32 32 THR C C 13 175.319 0.300 . 1 . . . . . 32 THR C . 51262 1 146 . 1 . 1 32 32 THR CA C 13 61.647 0.300 . 1 . . . . . 32 THR CA . 51262 1 147 . 1 . 1 32 32 THR CB C 13 69.111 0.300 . 1 . . . . . 32 THR CB . 51262 1 148 . 1 . 1 32 32 THR N N 15 112.745 0.300 . 1 . . . . . 32 THR N . 51262 1 149 . 1 . 1 33 33 GLY H H 1 8.353 0.030 . 1 . . . . . 33 GLY H . 51262 1 150 . 1 . 1 33 33 GLY C C 13 174.594 0.300 . 1 . . . . . 33 GLY C . 51262 1 151 . 1 . 1 33 33 GLY CA C 13 45.060 0.300 . 1 . . . . . 33 GLY CA . 51262 1 152 . 1 . 1 33 33 GLY N N 15 111.287 0.300 . 1 . . . . . 33 GLY N . 51262 1 153 . 1 . 1 34 34 GLY H H 1 8.227 0.030 . 1 . . . . . 34 GLY H . 51262 1 154 . 1 . 1 34 34 GLY C C 13 173.822 0.300 . 1 . . . . . 34 GLY C . 51262 1 155 . 1 . 1 34 34 GLY CA C 13 44.466 0.300 . 1 . . . . . 34 GLY CA . 51262 1 156 . 1 . 1 34 34 GLY N N 15 109.239 0.300 . 1 . . . . . 34 GLY N . 51262 1 157 . 1 . 1 35 35 VAL H H 1 7.911 0.030 . 1 . . . . . 35 VAL H . 51262 1 158 . 1 . 1 35 35 VAL C C 13 175.925 0.300 . 1 . . . . . 35 VAL C . 51262 1 159 . 1 . 1 35 35 VAL CA C 13 61.584 0.300 . 1 . . . . . 35 VAL CA . 51262 1 160 . 1 . 1 35 35 VAL CB C 13 31.913 0.300 . 1 . . . . . 35 VAL CB . 51262 1 161 . 1 . 1 35 35 VAL N N 15 119.727 0.300 . 1 . . . . . 35 VAL N . 51262 1 162 . 1 . 1 36 36 LYS H H 1 8.319 0.030 . 1 . . . . . 36 LYS H . 51262 1 163 . 1 . 1 36 36 LYS C C 13 177.678 0.300 . 1 . . . . . 36 LYS C . 51262 1 164 . 1 . 1 36 36 LYS N N 15 126.229 0.300 . 1 . . . . . 36 LYS N . 51262 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 51262 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name H4histonetailNuc _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 '3D HNCO' . . . 51262 2 2 '3D HN(CO)CA' . . . 51262 2 3 '3D HNCA' . . . 51262 2 4 '3D HN(COCA)CB' . . . 51262 2 5 3DHN(CA)CO . . . 51262 2 6 '3D HNCACB' . . . 51262 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 . . 51262 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 . 2 . 2 2 2 GLY C C 13 173.944 0.300 . 1 . . . . . 2 GLY C . 51262 2 2 . 2 . 2 2 2 GLY CA C 13 45.239 0.300 . 1 . . . . . 2 GLY CA . 51262 2 3 . 2 . 2 3 3 ARG H H 1 8.469 0.030 . 1 . . . . . 3 ARG H . 51262 2 4 . 2 . 2 3 3 ARG C C 13 177.066 0.300 . 1 . . . . . 3 ARG C . 51262 2 5 . 2 . 2 3 3 ARG CA C 13 56.360 0.300 . 1 . . . . . 3 ARG CA . 51262 2 6 . 2 . 2 3 3 ARG N N 15 121.304 0.300 . 1 . . . . . 3 ARG N . 51262 2 7 . 2 . 2 4 4 GLY H H 1 8.556 0.030 . 1 . . . . . 4 GLY H . 51262 2 8 . 2 . 2 4 4 GLY C C 13 174.297 0.300 . 1 . . . . . 4 GLY C . 51262 2 9 . 2 . 2 4 4 GLY CA C 13 45.400 0.300 . 1 . . . . . 4 GLY CA . 51262 2 10 . 2 . 2 4 4 GLY N N 15 110.751 0.300 . 1 . . . . . 4 GLY N . 51262 2 11 . 2 . 2 5 5 LYS H H 1 8.334 0.030 . 1 . . . . . 5 LYS H . 51262 2 12 . 2 . 2 5 5 LYS C C 13 177.446 0.300 . 1 . . . . . 5 LYS C . 51262 2 13 . 2 . 2 5 5 LYS CA C 13 56.531 0.300 . 1 . . . . . 5 LYS CA . 51262 2 14 . 2 . 2 5 5 LYS CB C 13 33.016 0.300 . 1 . . . . . 5 LYS CB . 51262 2 15 . 2 . 2 5 5 LYS N N 15 121.365 0.300 . 1 . . . . . 5 LYS N . 51262 2 16 . 2 . 2 6 6 GLY H H 1 8.535 0.030 . 1 . . . . . 6 GLY H . 51262 2 17 . 2 . 2 6 6 GLY C C 13 174.725 0.300 . 1 . . . . . 6 GLY C . 51262 2 18 . 2 . 2 6 6 GLY CA C 13 45.343 0.300 . 1 . . . . . 6 GLY CA . 51262 2 19 . 2 . 2 6 6 GLY N N 15 110.564 0.300 . 1 . . . . . 6 GLY N . 51262 2 20 . 2 . 2 7 7 GLY H H 1 8.298 0.030 . 1 . . . . . 7 GLY H . 51262 2 21 . 2 . 2 7 7 GLY C C 13 174.368 0.300 . 1 . . . . . 7 GLY C . 51262 2 22 . 2 . 2 7 7 GLY CA C 13 45.267 0.300 . 1 . . . . . 7 GLY CA . 51262 2 23 . 2 . 2 7 7 GLY N N 15 109.320 0.300 . 1 . . . . . 7 GLY N . 51262 2 24 . 2 . 2 8 8 LYS H H 1 8.293 0.030 . 1 . . . . . 8 LYS H . 51262 2 25 . 2 . 2 8 8 LYS C C 13 177.375 0.300 . 1 . . . . . 8 LYS C . 51262 2 26 . 2 . 2 8 8 LYS CA C 13 56.427 0.300 . 1 . . . . . 8 LYS CA . 51262 2 27 . 2 . 2 8 8 LYS CB C 13 33.119 0.300 . 1 . . . . . 8 LYS CB . 51262 2 28 . 2 . 2 8 8 LYS N N 15 121.324 0.300 . 1 . . . . . 8 LYS N . 51262 2 29 . 2 . 2 9 9 GLY H H 1 8.509 0.030 . 1 . . . . . 9 GLY H . 51262 2 30 . 2 . 2 9 9 GLY C C 13 174.285 0.300 . 1 . . . . . 9 GLY C . 51262 2 31 . 2 . 2 9 9 GLY CA C 13 45.447 0.300 . 1 . . . . . 9 GLY CA . 51262 2 32 . 2 . 2 9 9 GLY N N 15 110.398 0.300 . 1 . . . . . 9 GLY N . 51262 2 33 . 2 . 2 10 10 LEU H H 1 8.158 0.030 . 1 . . . . . 10 LEU H . 51262 2 34 . 2 . 2 10 10 LEU C C 13 178.159 0.300 . 1 . . . . . 10 LEU C . 51262 2 35 . 2 . 2 10 10 LEU CA C 13 55.184 0.300 . 1 . . . . . 10 LEU CA . 51262 2 36 . 2 . 2 10 10 LEU CB C 13 42.442 0.300 . 1 . . . . . 10 LEU CB . 51262 2 37 . 2 . 2 10 10 LEU N N 15 121.852 0.300 . 1 . . . . . 10 LEU N . 51262 2 38 . 2 . 2 11 11 GLY H H 1 8.471 0.030 . 1 . . . . . 11 GLY H . 51262 2 39 . 2 . 2 11 11 GLY C C 13 174.368 0.300 . 1 . . . . . 11 GLY C . 51262 2 40 . 2 . 2 11 11 GLY N N 15 110.011 0.300 . 1 . . . . . 11 GLY N . 51262 2 41 . 2 . 2 12 12 LYS H H 1 8.294 0.030 . 1 . . . . . 12 LYS H . 51262 2 42 . 2 . 2 12 12 LYS C C 13 176.961 0.300 . 1 . . . . . 12 LYS C . 51262 2 43 . 2 . 2 12 12 LYS CA C 13 56.324 0.300 . 1 . . . . . 12 LYS CA . 51262 2 44 . 2 . 2 12 12 LYS CB C 13 33.119 0.300 . 1 . . . . . 12 LYS CB . 51262 2 45 . 2 . 2 12 12 LYS N N 15 121.188 0.300 . 1 . . . . . 12 LYS N . 51262 2 46 . 2 . 2 13 13 GLY H H 1 8.535 0.030 . 1 . . . . . 13 GLY H . 51262 2 47 . 2 . 2 13 13 GLY C C 13 174.653 0.300 . 1 . . . . . 13 GLY C . 51262 2 48 . 2 . 2 13 13 GLY CA C 13 45.032 0.300 . 1 . . . . . 13 GLY CA . 51262 2 49 . 2 . 2 13 13 GLY N N 15 110.551 0.300 . 1 . . . . . 13 GLY N . 51262 2 50 . 2 . 2 14 14 GLY H H 1 8.190 0.030 . 1 . . . . . 14 GLY H . 51262 2 51 . 2 . 2 14 14 GLY C C 13 173.858 0.300 . 1 . . . . . 14 GLY C . 51262 2 52 . 2 . 2 14 14 GLY N N 15 109.173 0.300 . 1 . . . . . 14 GLY N . 51262 2 53 . 2 . 2 15 15 ALA H H 1 8.185 0.030 . 1 . . . . . 15 ALA H . 51262 2 54 . 2 . 2 15 15 ALA C C 13 177.891 0.300 . 1 . . . . . 15 ALA C . 51262 2 55 . 2 . 2 15 15 ALA N N 15 124.248 0.300 . 1 . . . . . 15 ALA N . 51262 2 stop_ save_