################################### # 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4872 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4872 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 GLU H H 1 8.4 0.01 . 1 . . . . . . . . 4872 1 2 . 1 1 2 2 GLU HA H 1 4.17 0.01 . 1 . . . . . . . . 4872 1 3 . 1 1 2 2 GLU HB2 H 1 2.13 0.01 . 2 . . . . . . . . 4872 1 4 . 1 1 2 2 GLU HB3 H 1 2.05 0.01 . 2 . . . . . . . . 4872 1 5 . 1 1 2 2 GLU HG2 H 1 2.35 0.01 . 2 . . . . . . . . 4872 1 6 . 1 1 2 2 GLU HG3 H 1 2.27 0.01 . 2 . . . . . . . . 4872 1 7 . 1 1 3 3 VAL H H 1 8.31 0.01 . 1 . . . . . . . . 4872 1 8 . 1 1 3 3 VAL HA H 1 3.55 0.01 . 1 . . . . . . . . 4872 1 9 . 1 1 3 3 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 4872 1 10 . 1 1 3 3 VAL HG11 H 1 0.88 0.01 . 1 . . . . . . . . 4872 1 11 . 1 1 3 3 VAL HG12 H 1 0.88 0.01 . 1 . . . . . . . . 4872 1 12 . 1 1 3 3 VAL HG13 H 1 0.88 0.01 . 1 . . . . . . . . 4872 1 13 . 1 1 3 3 VAL HG21 H 1 1.01 0.01 . 1 . . . . . . . . 4872 1 14 . 1 1 3 3 VAL HG22 H 1 1.01 0.01 . 1 . . . . . . . . 4872 1 15 . 1 1 3 3 VAL HG23 H 1 1.01 0.01 . 1 . . . . . . . . 4872 1 16 . 1 1 4 4 ALA H H 1 8.05 0.01 . 1 . . . . . . . . 4872 1 17 . 1 1 4 4 ALA HA H 1 4.22 0.01 . 1 . . . . . . . . 4872 1 18 . 1 1 4 4 ALA HB1 H 1 1.46 0.01 . 1 . . . . . . . . 4872 1 19 . 1 1 4 4 ALA HB2 H 1 1.46 0.01 . 1 . . . . . . . . 4872 1 20 . 1 1 4 4 ALA HB3 H 1 1.46 0.01 . 1 . . . . . . . . 4872 1 21 . 1 1 5 5 GLN H H 1 7.77 0.01 . 1 . . . . . . . . 4872 1 22 . 1 1 5 5 GLN HA H 1 4.13 0.01 . 1 . . . . . . . . 4872 1 23 . 1 1 5 5 GLN HB2 H 1 2.24 0.01 . 2 . . . . . . . . 4872 1 24 . 1 1 5 5 GLN HB3 H 1 2.21 0.01 . 2 . . . . . . . . 4872 1 25 . 1 1 5 5 GLN HG2 H 1 2.47 0.01 . 1 . . . . . . . . 4872 1 26 . 1 1 5 5 GLN HG3 H 1 2.47 0.01 . 1 . . . . . . . . 4872 1 27 . 1 1 5 5 GLN HE21 H 1 7.76 0.01 . 1 . . . . . . . . 4872 1 28 . 1 1 5 5 GLN HE22 H 1 6.83 0.01 . 1 . . . . . . . . 4872 1 29 . 1 1 6 6 LEU H H 1 8.2 0.01 . 1 . . . . . . . . 4872 1 30 . 1 1 6 6 LEU HA H 1 4.16 0.01 . 1 . . . . . . . . 4872 1 31 . 1 1 6 6 LEU HB2 H 1 2.08 0.01 . 1 . . . . . . . . 4872 1 32 . 1 1 6 6 LEU HB3 H 1 1.39 0.01 . 1 . . . . . . . . 4872 1 33 . 1 1 6 6 LEU HG H 1 1.88 0.01 . 1 . . . . . . . . 4872 1 34 . 1 1 6 6 LEU HD11 H 1 0.98 0.01 . 2 . . . . . . . . 4872 1 35 . 1 1 6 6 LEU HD12 H 1 0.98 0.01 . 2 . . . . . . . . 4872 1 36 . 1 1 6 6 LEU HD13 H 1 0.98 0.01 . 2 . . . . . . . . 4872 1 37 . 1 1 6 6 LEU HD21 H 1 0.92 0.01 . 2 . . . . . . . . 4872 1 38 . 1 1 6 6 LEU HD22 H 1 0.92 0.01 . 2 . . . . . . . . 4872 1 39 . 1 1 6 6 LEU HD23 H 1 0.92 0.01 . 2 . . . . . . . . 4872 1 40 . 1 1 7 7 GLU H H 1 8.9 0.01 . 1 . . . . . . . . 4872 1 41 . 1 1 7 7 GLU HA H 1 3.93 0.01 . 1 . . . . . . . . 4872 1 42 . 1 1 7 7 GLU HB2 H 1 2.21 0.01 . 2 . . . . . . . . 4872 1 43 . 1 1 7 7 GLU HB3 H 1 1.99 0.01 . 2 . . . . . . . . 4872 1 44 . 1 1 7 7 GLU HG2 H 1 2.6 0.01 . 2 . . . . . . . . 4872 1 45 . 1 1 7 7 GLU HG3 H 1 2.22 0.01 . 2 . . . . . . . . 4872 1 46 . 1 1 8 8 LYS H H 1 7.6 0.01 . 1 . . . . . . . . 4872 1 47 . 1 1 8 8 LYS HA H 1 4.19 0.01 . 1 . . . . . . . . 4872 1 48 . 1 1 8 8 LYS HB2 H 1 2.04 0.01 . 1 . . . . . . . . 4872 1 49 . 1 1 8 8 LYS HB3 H 1 2.04 0.01 . 1 . . . . . . . . 4872 1 50 . 1 1 8 8 LYS HG2 H 1 1.67 0.01 . 2 . . . . . . . . 4872 1 51 . 1 1 8 8 LYS HG3 H 1 1.48 0.01 . 2 . . . . . . . . 4872 1 52 . 1 1 8 8 LYS HD2 H 1 1.74 0.01 . 1 . . . . . . . . 4872 1 53 . 1 1 8 8 LYS HD3 H 1 1.74 0.01 . 1 . . . . . . . . 4872 1 54 . 1 1 8 8 LYS HE2 H 1 3.01 0.01 . 1 . . . . . . . . 4872 1 55 . 1 1 8 8 LYS HE3 H 1 3.01 0.01 . 1 . . . . . . . . 4872 1 56 . 1 1 9 9 GLU H H 1 8.11 0.01 . 1 . . . . . . . . 4872 1 57 . 1 1 9 9 GLU HA H 1 4.1 0.01 . 1 . . . . . . . . 4872 1 58 . 1 1 9 9 GLU HB2 H 1 2.3 0.01 . 2 . . . . . . . . 4872 1 59 . 1 1 9 9 GLU HB3 H 1 2.18 0.01 . 2 . . . . . . . . 4872 1 60 . 1 1 9 9 GLU HG2 H 1 2.58 0.01 . 2 . . . . . . . . 4872 1 61 . 1 1 9 9 GLU HG3 H 1 2.32 0.01 . 2 . . . . . . . . 4872 1 62 . 1 1 10 10 VAL H H 1 8.77 0.01 . 1 . . . . . . . . 4872 1 63 . 1 1 10 10 VAL HA H 1 3.51 0.01 . 1 . . . . . . . . 4872 1 64 . 1 1 10 10 VAL HB H 1 2.2 0.01 . 1 . . . . . . . . 4872 1 65 . 1 1 10 10 VAL HG11 H 1 0.92 0.01 . 1 . . . . . . . . 4872 1 66 . 1 1 10 10 VAL HG12 H 1 0.92 0.01 . 1 . . . . . . . . 4872 1 67 . 1 1 10 10 VAL HG13 H 1 0.92 0.01 . 1 . . . . . . . . 4872 1 68 . 1 1 10 10 VAL HG21 H 1 1.07 0.01 . 1 . . . . . . . . 4872 1 69 . 1 1 10 10 VAL HG22 H 1 1.07 0.01 . 1 . . . . . . . . 4872 1 70 . 1 1 10 10 VAL HG23 H 1 1.07 0.01 . 1 . . . . . . . . 4872 1 71 . 1 1 11 11 ALA H H 1 7.8 0.01 . 1 . . . . . . . . 4872 1 72 . 1 1 11 11 ALA HA H 1 4.24 0.01 . 1 . . . . . . . . 4872 1 73 . 1 1 11 11 ALA HB1 H 1 1.58 0.01 . 1 . . . . . . . . 4872 1 74 . 1 1 11 11 ALA HB2 H 1 1.58 0.01 . 1 . . . . . . . . 4872 1 75 . 1 1 11 11 ALA HB3 H 1 1.58 0.01 . 1 . . . . . . . . 4872 1 76 . 1 1 12 12 GLN H H 1 8.32 0.01 . 1 . . . . . . . . 4872 1 77 . 1 1 12 12 GLN HA H 1 4.17 0.01 . 1 . . . . . . . . 4872 1 78 . 1 1 12 12 GLN HB2 H 1 2.25 0.01 . 2 . . . . . . . . 4872 1 79 . 1 1 12 12 GLN HB3 H 1 2.18 0.01 . 2 . . . . . . . . 4872 1 80 . 1 1 12 12 GLN HG2 H 1 2.59 0.01 . 2 . . . . . . . . 4872 1 81 . 1 1 12 12 GLN HG3 H 1 2.47 0.01 . 2 . . . . . . . . 4872 1 82 . 1 1 12 12 GLN HE21 H 1 7.52 0.01 . 1 . . . . . . . . 4872 1 83 . 1 1 12 12 GLN HE22 H 1 6.84 0.01 . 1 . . . . . . . . 4872 1 84 . 1 1 13 13 ALA H H 1 8.27 0.01 . 1 . . . . . . . . 4872 1 85 . 1 1 13 13 ALA HA H 1 4.3 0.01 . 1 . . . . . . . . 4872 1 86 . 1 1 13 13 ALA HB1 H 1 1.56 0.01 . 1 . . . . . . . . 4872 1 87 . 1 1 13 13 ALA HB2 H 1 1.56 0.01 . 1 . . . . . . . . 4872 1 88 . 1 1 13 13 ALA HB3 H 1 1.56 0.01 . 1 . . . . . . . . 4872 1 89 . 1 1 14 14 GLU H H 1 9.05 0.01 . 1 . . . . . . . . 4872 1 90 . 1 1 14 14 GLU HA H 1 4.09 0.01 . 1 . . . . . . . . 4872 1 91 . 1 1 14 14 GLU HB2 H 1 2.26 0.01 . 2 . . . . . . . . 4872 1 92 . 1 1 14 14 GLU HB3 H 1 2.04 0.01 . 2 . . . . . . . . 4872 1 93 . 1 1 14 14 GLU HG2 H 1 2.56 0.01 . 2 . . . . . . . . 4872 1 94 . 1 1 14 14 GLU HG3 H 1 2.27 0.01 . 2 . . . . . . . . 4872 1 95 . 1 1 15 15 ALA H H 1 7.95 0.01 . 1 . . . . . . . . 4872 1 96 . 1 1 15 15 ALA HA H 1 4.32 0.01 . 1 . . . . . . . . 4872 1 97 . 1 1 15 15 ALA HB1 H 1 1.61 0.01 . 1 . . . . . . . . 4872 1 98 . 1 1 15 15 ALA HB2 H 1 1.61 0.01 . 1 . . . . . . . . 4872 1 99 . 1 1 15 15 ALA HB3 H 1 1.61 0.01 . 1 . . . . . . . . 4872 1 100 . 1 1 16 16 GLU H H 1 8.2 0.01 . 1 . . . . . . . . 4872 1 101 . 1 1 16 16 GLU HA H 1 4.13 0.01 . 1 . . . . . . . . 4872 1 102 . 1 1 16 16 GLU HB2 H 1 2.18 0.01 . 2 . . . . . . . . 4872 1 103 . 1 1 16 16 GLU HB3 H 1 2.09 0.01 . 2 . . . . . . . . 4872 1 104 . 1 1 16 16 GLU HG2 H 1 2.44 0.01 . 2 . . . . . . . . 4872 1 105 . 1 1 16 16 GLU HG3 H 1 2.22 0.01 . 2 . . . . . . . . 4872 1 106 . 1 1 17 17 ASN H H 1 8.34 0.01 . 1 . . . . . . . . 4872 1 107 . 1 1 17 17 ASN HA H 1 4.41 0.01 . 1 . . . . . . . . 4872 1 108 . 1 1 17 17 ASN HB2 H 1 3.5 0.01 . 1 . . . . . . . . 4872 1 109 . 1 1 17 17 ASN HB3 H 1 2.74 0.01 . 1 . . . . . . . . 4872 1 110 . 1 1 17 17 ASN HD21 H 1 7.78 0.01 . 1 . . . . . . . . 4872 1 111 . 1 1 17 17 ASN HD22 H 1 7.31 0.01 . 1 . . . . . . . . 4872 1 112 . 1 1 18 18 TYR H H 1 8.2 0.01 . 1 . . . . . . . . 4872 1 113 . 1 1 18 18 TYR HA H 1 4.27 0.01 . 1 . . . . . . . . 4872 1 114 . 1 1 18 18 TYR HB2 H 1 3.27 0.01 . 2 . . . . . . . . 4872 1 115 . 1 1 18 18 TYR HB3 H 1 3.19 0.01 . 2 . . . . . . . . 4872 1 116 . 1 1 18 18 TYR HD1 H 1 7.2 0.01 . 1 . . . . . . . . 4872 1 117 . 1 1 18 18 TYR HD2 H 1 7.2 0.01 . 1 . . . . . . . . 4872 1 118 . 1 1 18 18 TYR HE1 H 1 6.83 0.01 . 1 . . . . . . . . 4872 1 119 . 1 1 18 18 TYR HE2 H 1 6.83 0.01 . 1 . . . . . . . . 4872 1 120 . 1 1 19 19 GLN H H 1 7.71 0.01 . 1 . . . . . . . . 4872 1 121 . 1 1 19 19 GLN HA H 1 3.98 0.01 . 1 . . . . . . . . 4872 1 122 . 1 1 19 19 GLN HB2 H 1 2.3 0.01 . 1 . . . . . . . . 4872 1 123 . 1 1 19 19 GLN HB3 H 1 2.3 0.01 . 1 . . . . . . . . 4872 1 124 . 1 1 19 19 GLN HG2 H 1 2.61 0.01 . 2 . . . . . . . . 4872 1 125 . 1 1 19 19 GLN HG3 H 1 2.53 0.01 . 2 . . . . . . . . 4872 1 126 . 1 1 20 20 LEU H H 1 8.55 0.01 . 1 . . . . . . . . 4872 1 127 . 1 1 20 20 LEU HA H 1 4.16 0.01 . 1 . . . . . . . . 4872 1 128 . 1 1 20 20 LEU HB2 H 1 2.01 0.01 . 1 . . . . . . . . 4872 1 129 . 1 1 20 20 LEU HB3 H 1 1.25 0.01 . 1 . . . . . . . . 4872 1 130 . 1 1 20 20 LEU HG H 1 1.9 0.01 . 1 . . . . . . . . 4872 1 131 . 1 1 20 20 LEU HD11 H 1 0.91 0.01 . 2 . . . . . . . . 4872 1 132 . 1 1 20 20 LEU HD12 H 1 0.91 0.01 . 2 . . . . . . . . 4872 1 133 . 1 1 20 20 LEU HD13 H 1 0.91 0.01 . 2 . . . . . . . . 4872 1 134 . 1 1 20 20 LEU HD21 H 1 1 0.01 . 2 . . . . . . . . 4872 1 135 . 1 1 20 20 LEU HD22 H 1 1 0.01 . 2 . . . . . . . . 4872 1 136 . 1 1 20 20 LEU HD23 H 1 1 0.01 . 2 . . . . . . . . 4872 1 137 . 1 1 21 21 GLU H H 1 8.69 0.01 . 1 . . . . . . . . 4872 1 138 . 1 1 21 21 GLU HA H 1 4.01 0.01 . 1 . . . . . . . . 4872 1 139 . 1 1 21 21 GLU HB2 H 1 2.03 0.01 . 1 . . . . . . . . 4872 1 140 . 1 1 21 21 GLU HB3 H 1 2.03 0.01 . 1 . . . . . . . . 4872 1 141 . 1 1 21 21 GLU HG2 H 1 2.49 0.01 . 2 . . . . . . . . 4872 1 142 . 1 1 21 21 GLU HG3 H 1 2.27 0.01 . 2 . . . . . . . . 4872 1 143 . 1 1 22 22 GLN H H 1 7.8 0.01 . 1 . . . . . . . . 4872 1 144 . 1 1 22 22 GLN HA H 1 4.05 0.01 . 1 . . . . . . . . 4872 1 145 . 1 1 22 22 GLN HB2 H 1 2.1 0.01 . 1 . . . . . . . . 4872 1 146 . 1 1 22 22 GLN HB3 H 1 2.1 0.01 . 1 . . . . . . . . 4872 1 147 . 1 1 22 22 GLN HG2 H 1 2.17 0.01 . 1 . . . . . . . . 4872 1 148 . 1 1 22 22 GLN HG3 H 1 2.17 0.01 . 1 . . . . . . . . 4872 1 149 . 1 1 22 22 GLN HE21 H 1 6.95 0.01 . 1 . . . . . . . . 4872 1 150 . 1 1 22 22 GLN HE22 H 1 6.71 0.01 . 1 . . . . . . . . 4872 1 151 . 1 1 23 23 GLU H H 1 7.93 0.01 . 1 . . . . . . . . 4872 1 152 . 1 1 23 23 GLU HA H 1 4.08 0.01 . 1 . . . . . . . . 4872 1 153 . 1 1 23 23 GLU HB2 H 1 2.19 0.01 . 1 . . . . . . . . 4872 1 154 . 1 1 23 23 GLU HB3 H 1 2.19 0.01 . 1 . . . . . . . . 4872 1 155 . 1 1 23 23 GLU HG2 H 1 2.43 0.01 . 2 . . . . . . . . 4872 1 156 . 1 1 23 23 GLU HG3 H 1 2.23 0.01 . 2 . . . . . . . . 4872 1 157 . 1 1 24 24 VAL H H 1 8.55 0.01 . 1 . . . . . . . . 4872 1 158 . 1 1 24 24 VAL HA H 1 3.37 0.01 . 1 . . . . . . . . 4872 1 159 . 1 1 24 24 VAL HB H 1 2.15 0.01 . 1 . . . . . . . . 4872 1 160 . 1 1 24 24 VAL HG11 H 1 0.87 0.01 . 1 . . . . . . . . 4872 1 161 . 1 1 24 24 VAL HG12 H 1 0.87 0.01 . 1 . . . . . . . . 4872 1 162 . 1 1 24 24 VAL HG13 H 1 0.87 0.01 . 1 . . . . . . . . 4872 1 163 . 1 1 24 24 VAL HG21 H 1 1.06 0.01 . 1 . . . . . . . . 4872 1 164 . 1 1 24 24 VAL HG22 H 1 1.06 0.01 . 1 . . . . . . . . 4872 1 165 . 1 1 24 24 VAL HG23 H 1 1.06 0.01 . 1 . . . . . . . . 4872 1 166 . 1 1 25 25 ALA H H 1 7.62 0.01 . 1 . . . . . . . . 4872 1 167 . 1 1 25 25 ALA HA H 1 4.15 0.01 . 1 . . . . . . . . 4872 1 168 . 1 1 25 25 ALA HB1 H 1 1.49 0.01 . 1 . . . . . . . . 4872 1 169 . 1 1 25 25 ALA HB2 H 1 1.49 0.01 . 1 . . . . . . . . 4872 1 170 . 1 1 25 25 ALA HB3 H 1 1.49 0.01 . 1 . . . . . . . . 4872 1 171 . 1 1 26 26 GLN H H 1 8.01 0.01 . 1 . . . . . . . . 4872 1 172 . 1 1 26 26 GLN HA H 1 4.12 0.01 . 1 . . . . . . . . 4872 1 173 . 1 1 26 26 GLN HB2 H 1 2.26 0.01 . 2 . . . . . . . . 4872 1 174 . 1 1 26 26 GLN HB3 H 1 2.23 0.01 . 2 . . . . . . . . 4872 1 175 . 1 1 26 26 GLN HG2 H 1 2.53 0.01 . 2 . . . . . . . . 4872 1 176 . 1 1 26 26 GLN HG3 H 1 2.41 0.01 . 2 . . . . . . . . 4872 1 177 . 1 1 26 26 GLN HE21 H 1 7.58 0.01 . 1 . . . . . . . . 4872 1 178 . 1 1 26 26 GLN HE22 H 1 6.76 0.01 . 1 . . . . . . . . 4872 1 179 . 1 1 27 27 LEU H H 1 8.38 0.01 . 1 . . . . . . . . 4872 1 180 . 1 1 27 27 LEU HA H 1 4.15 0.01 . 1 . . . . . . . . 4872 1 181 . 1 1 27 27 LEU HB2 H 1 2.01 0.01 . 1 . . . . . . . . 4872 1 182 . 1 1 27 27 LEU HB3 H 1 1.39 0.01 . 1 . . . . . . . . 4872 1 183 . 1 1 27 27 LEU HG H 1 1.91 0.01 . 1 . . . . . . . . 4872 1 184 . 1 1 27 27 LEU HD11 H 1 0.89 0.01 . 2 . . . . . . . . 4872 1 185 . 1 1 27 27 LEU HD12 H 1 0.89 0.01 . 2 . . . . . . . . 4872 1 186 . 1 1 27 27 LEU HD13 H 1 0.89 0.01 . 2 . . . . . . . . 4872 1 187 . 1 1 27 27 LEU HD21 H 1 0.98 0.01 . 2 . . . . . . . . 4872 1 188 . 1 1 27 27 LEU HD22 H 1 0.98 0.01 . 2 . . . . . . . . 4872 1 189 . 1 1 27 27 LEU HD23 H 1 0.98 0.01 . 2 . . . . . . . . 4872 1 190 . 1 1 28 28 GLU H H 1 8.91 0.01 . 1 . . . . . . . . 4872 1 191 . 1 1 28 28 GLU HA H 1 3.95 0.01 . 1 . . . . . . . . 4872 1 192 . 1 1 28 28 GLU HB2 H 1 2.16 0.01 . 2 . . . . . . . . 4872 1 193 . 1 1 28 28 GLU HB3 H 1 1.94 0.01 . 2 . . . . . . . . 4872 1 194 . 1 1 28 28 GLU HG2 H 1 2.5 0.01 . 2 . . . . . . . . 4872 1 195 . 1 1 28 28 GLU HG3 H 1 2.17 0.01 . 2 . . . . . . . . 4872 1 196 . 1 1 29 29 HIS H H 1 7.73 0.01 . 1 . . . . . . . . 4872 1 197 . 1 1 29 29 HIS HA H 1 4.51 0.01 . 1 . . . . . . . . 4872 1 198 . 1 1 29 29 HIS HB2 H 1 3.48 0.01 . 2 . . . . . . . . 4872 1 199 . 1 1 29 29 HIS HB3 H 1 3.37 0.01 . 2 . . . . . . . . 4872 1 200 . 1 1 29 29 HIS HD2 H 1 7.36 0.01 . 1 . . . . . . . . 4872 1 201 . 1 1 29 29 HIS HE1 H 1 8.52 0.01 . 1 . . . . . . . . 4872 1 202 . 1 1 30 30 GLU H H 1 8.25 0.01 . 1 . . . . . . . . 4872 1 203 . 1 1 30 30 GLU HA H 1 4.19 0.01 . 1 . . . . . . . . 4872 1 204 . 1 1 30 30 GLU HB2 H 1 2.19 0.01 . 2 . . . . . . . . 4872 1 205 . 1 1 30 30 GLU HB3 H 1 2.16 0.01 . 2 . . . . . . . . 4872 1 206 . 1 1 30 30 GLU HG2 H 1 2.46 0.01 . 2 . . . . . . . . 4872 1 207 . 1 1 30 30 GLU HG3 H 1 2.37 0.01 . 2 . . . . . . . . 4872 1 208 . 1 1 31 31 CYS H H 1 8.46 0.01 . 1 . . . . . . . . 4872 1 209 . 1 1 31 31 CYS HA H 1 4.79 0.01 . 1 . . . . . . . . 4872 1 210 . 1 1 31 31 CYS HB2 H 1 3.29 0.01 . 2 . . . . . . . . 4872 1 211 . 1 1 31 31 CYS HB3 H 1 3.23 0.01 . 2 . . . . . . . . 4872 1 212 . 1 1 32 32 GLY H H 1 7.92 0.01 . 1 . . . . . . . . 4872 1 213 . 1 1 32 32 GLY HA2 H 1 3.96 0.01 . 2 . . . . . . . . 4872 1 214 . 1 1 32 32 GLY HA3 H 1 3.96 0.01 . 2 . . . . . . . . 4872 1 215 . 1 1 33 33 NH2 HN1 H 1 7.06 0.01 . 2 . . . . . . . . 4872 1 216 . 1 1 33 33 NH2 HN2 H 1 7.41 0.01 . 2 . . . . . . . . 4872 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_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 4872 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4872 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 GLU H H 1 8.42 0.01 . 1 . . . . . . . . 4872 2 2 . 2 2 2 2 GLU HA H 1 4.29 0.01 . 1 . . . . . . . . 4872 2 3 . 2 2 2 2 GLU HB2 H 1 2.12 0.01 . 2 . . . . . . . . 4872 2 4 . 2 2 2 2 GLU HB3 H 1 2.03 0.01 . 2 . . . . . . . . 4872 2 5 . 2 2 2 2 GLU HG2 H 1 2.38 0.01 . 2 . . . . . . . . 4872 2 6 . 2 2 2 2 GLU HG3 H 1 2.32 0.01 . 2 . . . . . . . . 4872 2 7 . 2 2 3 3 VAL H H 1 8.38 0.01 . 1 . . . . . . . . 4872 2 8 . 2 2 3 3 VAL HA H 1 3.61 0.01 . 1 . . . . . . . . 4872 2 9 . 2 2 3 3 VAL HB H 1 2.06 0.01 . 1 . . . . . . . . 4872 2 10 . 2 2 3 3 VAL HG11 H 1 0.91 0.01 . 1 . . . . . . . . 4872 2 11 . 2 2 3 3 VAL HG12 H 1 0.91 0.01 . 1 . . . . . . . . 4872 2 12 . 2 2 3 3 VAL HG13 H 1 0.91 0.01 . 1 . . . . . . . . 4872 2 13 . 2 2 3 3 VAL HG21 H 1 1.03 0.01 . 1 . . . . . . . . 4872 2 14 . 2 2 3 3 VAL HG22 H 1 1.03 0.01 . 1 . . . . . . . . 4872 2 15 . 2 2 3 3 VAL HG23 H 1 1.03 0.01 . 1 . . . . . . . . 4872 2 16 . 2 2 4 4 GLN H H 1 8.39 0.01 . 1 . . . . . . . . 4872 2 17 . 2 2 4 4 GLN HA H 1 4 0.01 . 1 . . . . . . . . 4872 2 18 . 2 2 4 4 GLN HB2 H 1 2.19 0.01 . 2 . . . . . . . . 4872 2 19 . 2 2 4 4 GLN HB3 H 1 2.1 0.01 . 2 . . . . . . . . 4872 2 20 . 2 2 4 4 GLN HG2 H 1 2.49 0.01 . 1 . . . . . . . . 4872 2 21 . 2 2 4 4 GLN HG3 H 1 2.49 0.01 . 1 . . . . . . . . 4872 2 22 . 2 2 4 4 GLN HE21 H 1 7.52 0.01 . 1 . . . . . . . . 4872 2 23 . 2 2 4 4 GLN HE22 H 1 6.91 0.01 . 1 . . . . . . . . 4872 2 24 . 2 2 5 5 ALA H H 1 7.88 0.01 . 1 . . . . . . . . 4872 2 25 . 2 2 5 5 ALA HA H 1 4.15 0.01 . 1 . . . . . . . . 4872 2 26 . 2 2 5 5 ALA HB1 H 1 1.54 0.01 . 1 . . . . . . . . 4872 2 27 . 2 2 5 5 ALA HB2 H 1 1.54 0.01 . 1 . . . . . . . . 4872 2 28 . 2 2 5 5 ALA HB3 H 1 1.54 0.01 . 1 . . . . . . . . 4872 2 29 . 2 2 6 6 LEU H H 1 8.19 0.01 . 1 . . . . . . . . 4872 2 30 . 2 2 6 6 LEU HA H 1 4.1 0.01 . 1 . . . . . . . . 4872 2 31 . 2 2 6 6 LEU HB2 H 1 2.06 0.01 . 1 . . . . . . . . 4872 2 32 . 2 2 6 6 LEU HB3 H 1 1.39 0.01 . 1 . . . . . . . . 4872 2 33 . 2 2 6 6 LEU HG H 1 1.89 0.01 . 1 . . . . . . . . 4872 2 34 . 2 2 6 6 LEU HD11 H 1 0.93 0.01 . 2 . . . . . . . . 4872 2 35 . 2 2 6 6 LEU HD12 H 1 0.93 0.01 . 2 . . . . . . . . 4872 2 36 . 2 2 6 6 LEU HD13 H 1 0.93 0.01 . 2 . . . . . . . . 4872 2 37 . 2 2 6 6 LEU HD21 H 1 0.98 0.01 . 2 . . . . . . . . 4872 2 38 . 2 2 6 6 LEU HD22 H 1 0.98 0.01 . 2 . . . . . . . . 4872 2 39 . 2 2 6 6 LEU HD23 H 1 0.98 0.01 . 2 . . . . . . . . 4872 2 40 . 2 2 7 7 LYS H H 1 8.54 0.01 . 1 . . . . . . . . 4872 2 41 . 2 2 7 7 LYS HA H 1 3.91 0.01 . 1 . . . . . . . . 4872 2 42 . 2 2 7 7 LYS HB2 H 1 1.94 0.01 . 2 . . . . . . . . 4872 2 43 . 2 2 7 7 LYS HB3 H 1 1.88 0.01 . 2 . . . . . . . . 4872 2 44 . 2 2 7 7 LYS HG2 H 1 1.42 0.01 . 1 . . . . . . . . 4872 2 45 . 2 2 7 7 LYS HG3 H 1 1.42 0.01 . 1 . . . . . . . . 4872 2 46 . 2 2 7 7 LYS HD2 H 1 1.74 0.01 . 2 . . . . . . . . 4872 2 47 . 2 2 7 7 LYS HD3 H 1 1.66 0.01 . 2 . . . . . . . . 4872 2 48 . 2 2 7 7 LYS HE2 H 1 2.94 0.01 . 2 . . . . . . . . 4872 2 49 . 2 2 7 7 LYS HE3 H 1 2.87 0.01 . 2 . . . . . . . . 4872 2 50 . 2 2 8 8 LYS H H 1 7.84 0.01 . 1 . . . . . . . . 4872 2 51 . 2 2 8 8 LYS HA H 1 4.09 0.01 . 1 . . . . . . . . 4872 2 52 . 2 2 8 8 LYS HB2 H 1 1.96 0.01 . 1 . . . . . . . . 4872 2 53 . 2 2 8 8 LYS HB3 H 1 1.96 0.01 . 1 . . . . . . . . 4872 2 54 . 2 2 8 8 LYS HG2 H 1 1.5 0.01 . 1 . . . . . . . . 4872 2 55 . 2 2 8 8 LYS HG3 H 1 1.5 0.01 . 1 . . . . . . . . 4872 2 56 . 2 2 8 8 LYS HD2 H 1 1.72 0.01 . 2 . . . . . . . . 4872 2 57 . 2 2 8 8 LYS HD3 H 1 1.67 0.01 . 2 . . . . . . . . 4872 2 58 . 2 2 8 8 LYS HE2 H 1 3 0.01 . 1 . . . . . . . . 4872 2 59 . 2 2 8 8 LYS HE3 H 1 3 0.01 . 1 . . . . . . . . 4872 2 60 . 2 2 9 9 ARG H H 1 7.92 0.01 . 1 . . . . . . . . 4872 2 61 . 2 2 9 9 ARG HA H 1 4.2 0.01 . 1 . . . . . . . . 4872 2 62 . 2 2 9 9 ARG HB2 H 1 2.13 0.01 . 2 . . . . . . . . 4872 2 63 . 2 2 9 9 ARG HB3 H 1 2.03 0.01 . 2 . . . . . . . . 4872 2 64 . 2 2 9 9 ARG HG2 H 1 1.86 0.01 . 2 . . . . . . . . 4872 2 65 . 2 2 9 9 ARG HG3 H 1 1.7 0.01 . 2 . . . . . . . . 4872 2 66 . 2 2 9 9 ARG HD2 H 1 3.32 0.01 . 2 . . . . . . . . 4872 2 67 . 2 2 9 9 ARG HD3 H 1 3.15 0.01 . 2 . . . . . . . . 4872 2 68 . 2 2 9 9 ARG HE H 1 7.22 0.01 . 1 . . . . . . . . 4872 2 69 . 2 2 10 10 VAL H H 1 8.54 0.01 . 1 . . . . . . . . 4872 2 70 . 2 2 10 10 VAL HA H 1 3.56 0.01 . 1 . . . . . . . . 4872 2 71 . 2 2 10 10 VAL HB H 1 2.2 0.01 . 1 . . . . . . . . 4872 2 72 . 2 2 10 10 VAL HG11 H 1 1.01 0.01 . 1 . . . . . . . . 4872 2 73 . 2 2 10 10 VAL HG12 H 1 1.01 0.01 . 1 . . . . . . . . 4872 2 74 . 2 2 10 10 VAL HG13 H 1 1.01 0.01 . 1 . . . . . . . . 4872 2 75 . 2 2 10 10 VAL HG21 H 1 1.08 0.01 . 1 . . . . . . . . 4872 2 76 . 2 2 10 10 VAL HG22 H 1 1.08 0.01 . 1 . . . . . . . . 4872 2 77 . 2 2 10 10 VAL HG23 H 1 1.08 0.01 . 1 . . . . . . . . 4872 2 78 . 2 2 11 11 GLN H H 1 7.87 0.01 . 1 . . . . . . . . 4872 2 79 . 2 2 11 11 GLN HA H 1 4 0.01 . 1 . . . . . . . . 4872 2 80 . 2 2 11 11 GLN HB2 H 1 2.21 0.01 . 1 . . . . . . . . 4872 2 81 . 2 2 11 11 GLN HB3 H 1 2.21 0.01 . 1 . . . . . . . . 4872 2 82 . 2 2 11 11 GLN HG2 H 1 2.57 0.01 . 2 . . . . . . . . 4872 2 83 . 2 2 11 11 GLN HG3 H 1 2.47 0.01 . 2 . . . . . . . . 4872 2 84 . 2 2 12 12 ALA H H 1 8.15 0.01 . 1 . . . . . . . . 4872 2 85 . 2 2 12 12 ALA HA H 1 4.25 0.01 . 1 . . . . . . . . 4872 2 86 . 2 2 12 12 ALA HB1 H 1 1.59 0.01 . 1 . . . . . . . . 4872 2 87 . 2 2 12 12 ALA HB2 H 1 1.59 0.01 . 1 . . . . . . . . 4872 2 88 . 2 2 12 12 ALA HB3 H 1 1.59 0.01 . 1 . . . . . . . . 4872 2 89 . 2 2 13 13 LEU H H 1 8.42 0.01 . 1 . . . . . . . . 4872 2 90 . 2 2 13 13 LEU HA H 1 4.01 0.01 . 1 . . . . . . . . 4872 2 91 . 2 2 13 13 LEU HB2 H 1 2.03 0.01 . 1 . . . . . . . . 4872 2 92 . 2 2 13 13 LEU HB3 H 1 1.31 0.01 . 1 . . . . . . . . 4872 2 93 . 2 2 13 13 LEU HG H 1 1.85 0.01 . 1 . . . . . . . . 4872 2 94 . 2 2 13 13 LEU HD11 H 1 0.88 0.01 . 2 . . . . . . . . 4872 2 95 . 2 2 13 13 LEU HD12 H 1 0.88 0.01 . 2 . . . . . . . . 4872 2 96 . 2 2 13 13 LEU HD13 H 1 0.88 0.01 . 2 . . . . . . . . 4872 2 97 . 2 2 13 13 LEU HD21 H 1 1.01 0.01 . 2 . . . . . . . . 4872 2 98 . 2 2 13 13 LEU HD22 H 1 1.01 0.01 . 2 . . . . . . . . 4872 2 99 . 2 2 13 13 LEU HD23 H 1 1.01 0.01 . 2 . . . . . . . . 4872 2 100 . 2 2 14 14 LYS H H 1 8.69 0.01 . 1 . . . . . . . . 4872 2 101 . 2 2 14 14 LYS HA H 1 4.05 0.01 . 1 . . . . . . . . 4872 2 102 . 2 2 14 14 LYS HB2 H 1 1.99 0.01 . 2 . . . . . . . . 4872 2 103 . 2 2 14 14 LYS HB3 H 1 1.89 0.01 . 2 . . . . . . . . 4872 2 104 . 2 2 14 14 LYS HG2 H 1 1.48 0.01 . 1 . . . . . . . . 4872 2 105 . 2 2 14 14 LYS HG3 H 1 1.48 0.01 . 1 . . . . . . . . 4872 2 106 . 2 2 14 14 LYS HD2 H 1 1.74 0.01 . 2 . . . . . . . . 4872 2 107 . 2 2 14 14 LYS HD3 H 1 1.7 0.01 . 2 . . . . . . . . 4872 2 108 . 2 2 14 14 LYS HE2 H 1 2.95 0.01 . 1 . . . . . . . . 4872 2 109 . 2 2 14 14 LYS HE3 H 1 2.95 0.01 . 1 . . . . . . . . 4872 2 110 . 2 2 15 15 ALA H H 1 7.83 0.01 . 1 . . . . . . . . 4872 2 111 . 2 2 15 15 ALA HA H 1 4.35 0.01 . 1 . . . . . . . . 4872 2 112 . 2 2 15 15 ALA HB1 H 1 1.6 0.01 . 1 . . . . . . . . 4872 2 113 . 2 2 15 15 ALA HB2 H 1 1.6 0.01 . 1 . . . . . . . . 4872 2 114 . 2 2 15 15 ALA HB3 H 1 1.6 0.01 . 1 . . . . . . . . 4872 2 115 . 2 2 16 16 ARG H H 1 8.07 0.01 . 1 . . . . . . . . 4872 2 116 . 2 2 16 16 ARG HA H 1 4.2 0.01 . 1 . . . . . . . . 4872 2 117 . 2 2 16 16 ARG HB2 H 1 2.02 0.01 . 1 . . . . . . . . 4872 2 118 . 2 2 16 16 ARG HB3 H 1 2.02 0.01 . 1 . . . . . . . . 4872 2 119 . 2 2 16 16 ARG HG2 H 1 1.92 0.01 . 2 . . . . . . . . 4872 2 120 . 2 2 16 16 ARG HG3 H 1 1.76 0.01 . 2 . . . . . . . . 4872 2 121 . 2 2 16 16 ARG HD2 H 1 3.27 0.01 . 2 . . . . . . . . 4872 2 122 . 2 2 16 16 ARG HD3 H 1 3.15 0.01 . 2 . . . . . . . . 4872 2 123 . 2 2 16 16 ARG HE H 1 7.56 0.01 . 1 . . . . . . . . 4872 2 124 . 2 2 17 17 ASN H H 1 8.97 0.01 . 1 . . . . . . . . 4872 2 125 . 2 2 17 17 ASN HA H 1 4.53 0.01 . 1 . . . . . . . . 4872 2 126 . 2 2 17 17 ASN HB2 H 1 3.06 0.01 . 1 . . . . . . . . 4872 2 127 . 2 2 17 17 ASN HB3 H 1 2.71 0.01 . 1 . . . . . . . . 4872 2 128 . 2 2 17 17 ASN HD21 H 1 7.71 0.01 . 1 . . . . . . . . 4872 2 129 . 2 2 17 17 ASN HD22 H 1 6.82 0.01 . 1 . . . . . . . . 4872 2 130 . 2 2 18 18 TYR H H 1 8.36 0.01 . 1 . . . . . . . . 4872 2 131 . 2 2 18 18 TYR HA H 1 4.21 0.01 . 1 . . . . . . . . 4872 2 132 . 2 2 18 18 TYR HB2 H 1 3.28 0.01 . 2 . . . . . . . . 4872 2 133 . 2 2 18 18 TYR HB3 H 1 3.19 0.01 . 2 . . . . . . . . 4872 2 134 . 2 2 18 18 TYR HD1 H 1 7.2 0.01 . 1 . . . . . . . . 4872 2 135 . 2 2 18 18 TYR HD2 H 1 7.2 0.01 . 1 . . . . . . . . 4872 2 136 . 2 2 18 18 TYR HE1 H 1 6.84 0.01 . 1 . . . . . . . . 4872 2 137 . 2 2 18 18 TYR HE2 H 1 6.84 0.01 . 1 . . . . . . . . 4872 2 138 . 2 2 19 19 ALA H H 1 7.81 0.01 . 1 . . . . . . . . 4872 2 139 . 2 2 19 19 ALA HA H 1 4.15 0.01 . 1 . . . . . . . . 4872 2 140 . 2 2 19 19 ALA HB1 H 1 1.61 0.01 . 1 . . . . . . . . 4872 2 141 . 2 2 19 19 ALA HB2 H 1 1.61 0.01 . 1 . . . . . . . . 4872 2 142 . 2 2 19 19 ALA HB3 H 1 1.61 0.01 . 1 . . . . . . . . 4872 2 143 . 2 2 20 20 ALA H H 1 8.42 0.01 . 1 . . . . . . . . 4872 2 144 . 2 2 20 20 ALA HA H 1 4.2 0.01 . 1 . . . . . . . . 4872 2 145 . 2 2 20 20 ALA HB1 H 1 1.54 0.01 . 1 . . . . . . . . 4872 2 146 . 2 2 20 20 ALA HB2 H 1 1.54 0.01 . 1 . . . . . . . . 4872 2 147 . 2 2 20 20 ALA HB3 H 1 1.54 0.01 . 1 . . . . . . . . 4872 2 148 . 2 2 21 21 LYS H H 1 8.47 0.01 . 1 . . . . . . . . 4872 2 149 . 2 2 21 21 LYS HA H 1 3.87 0.01 . 1 . . . . . . . . 4872 2 150 . 2 2 21 21 LYS HB2 H 1 1.94 0.01 . 2 . . . . . . . . 4872 2 151 . 2 2 21 21 LYS HB3 H 1 1.89 0.01 . 2 . . . . . . . . 4872 2 152 . 2 2 21 21 LYS HG2 H 1 1.45 0.01 . 1 . . . . . . . . 4872 2 153 . 2 2 21 21 LYS HG3 H 1 1.45 0.01 . 1 . . . . . . . . 4872 2 154 . 2 2 21 21 LYS HD2 H 1 1.69 0.01 . 1 . . . . . . . . 4872 2 155 . 2 2 21 21 LYS HD3 H 1 1.69 0.01 . 1 . . . . . . . . 4872 2 156 . 2 2 21 21 LYS HE2 H 1 2.95 0.01 . 1 . . . . . . . . 4872 2 157 . 2 2 21 21 LYS HE3 H 1 2.95 0.01 . 1 . . . . . . . . 4872 2 158 . 2 2 22 22 GLN H H 1 7.74 0.01 . 1 . . . . . . . . 4872 2 159 . 2 2 22 22 GLN HA H 1 3.98 0.01 . 1 . . . . . . . . 4872 2 160 . 2 2 22 22 GLN HB2 H 1 2.11 0.01 . 1 . . . . . . . . 4872 2 161 . 2 2 22 22 GLN HB3 H 1 2.11 0.01 . 1 . . . . . . . . 4872 2 162 . 2 2 22 22 GLN HG2 H 1 2.24 0.01 . 1 . . . . . . . . 4872 2 163 . 2 2 22 22 GLN HG3 H 1 2.24 0.01 . 1 . . . . . . . . 4872 2 164 . 2 2 22 22 GLN HE21 H 1 6.84 0.01 . 1 . . . . . . . . 4872 2 165 . 2 2 22 22 GLN HE22 H 1 6.74 0.01 . 1 . . . . . . . . 4872 2 166 . 2 2 23 23 LYS H H 1 7.84 0.01 . 1 . . . . . . . . 4872 2 167 . 2 2 23 23 LYS HA H 1 4.15 0.01 . 1 . . . . . . . . 4872 2 168 . 2 2 23 23 LYS HB2 H 1 2.03 0.01 . 2 . . . . . . . . 4872 2 169 . 2 2 23 23 LYS HB3 H 1 2 0.01 . 2 . . . . . . . . 4872 2 170 . 2 2 23 23 LYS HG2 H 1 1.44 0.01 . 1 . . . . . . . . 4872 2 171 . 2 2 23 23 LYS HG3 H 1 1.44 0.01 . 1 . . . . . . . . 4872 2 172 . 2 2 23 23 LYS HD2 H 1 1.74 0.01 . 1 . . . . . . . . 4872 2 173 . 2 2 23 23 LYS HD3 H 1 1.74 0.01 . 1 . . . . . . . . 4872 2 174 . 2 2 23 23 LYS HE2 H 1 2.94 0.01 . 1 . . . . . . . . 4872 2 175 . 2 2 23 23 LYS HE3 H 1 2.94 0.01 . 1 . . . . . . . . 4872 2 176 . 2 2 24 24 VAL H H 1 8.57 0.01 . 1 . . . . . . . . 4872 2 177 . 2 2 24 24 VAL HA H 1 3.48 0.01 . 1 . . . . . . . . 4872 2 178 . 2 2 24 24 VAL HB H 1 2.15 0.01 . 1 . . . . . . . . 4872 2 179 . 2 2 24 24 VAL HG11 H 1 0.88 0.01 . 1 . . . . . . . . 4872 2 180 . 2 2 24 24 VAL HG12 H 1 0.88 0.01 . 1 . . . . . . . . 4872 2 181 . 2 2 24 24 VAL HG13 H 1 0.88 0.01 . 1 . . . . . . . . 4872 2 182 . 2 2 24 24 VAL HG21 H 1 1.05 0.01 . 1 . . . . . . . . 4872 2 183 . 2 2 24 24 VAL HG22 H 1 1.05 0.01 . 1 . . . . . . . . 4872 2 184 . 2 2 24 24 VAL HG23 H 1 1.05 0.01 . 1 . . . . . . . . 4872 2 185 . 2 2 25 25 GLN H H 1 7.75 0.01 . 1 . . . . . . . . 4872 2 186 . 2 2 25 25 GLN HA H 1 3.92 0.01 . 1 . . . . . . . . 4872 2 187 . 2 2 25 25 GLN HB2 H 1 2.13 0.01 . 1 . . . . . . . . 4872 2 188 . 2 2 25 25 GLN HB3 H 1 2.13 0.01 . 1 . . . . . . . . 4872 2 189 . 2 2 25 25 GLN HG2 H 1 2.49 0.01 . 2 . . . . . . . . 4872 2 190 . 2 2 25 25 GLN HG3 H 1 2.4 0.01 . 2 . . . . . . . . 4872 2 191 . 2 2 26 26 ALA H H 1 7.86 0.01 . 1 . . . . . . . . 4872 2 192 . 2 2 26 26 ALA HA H 1 4.22 0.01 . 1 . . . . . . . . 4872 2 193 . 2 2 26 26 ALA HB1 H 1 1.57 0.01 . 1 . . . . . . . . 4872 2 194 . 2 2 26 26 ALA HB2 H 1 1.57 0.01 . 1 . . . . . . . . 4872 2 195 . 2 2 26 26 ALA HB3 H 1 1.57 0.01 . 1 . . . . . . . . 4872 2 196 . 2 2 27 27 LEU H H 1 8.55 0.01 . 1 . . . . . . . . 4872 2 197 . 2 2 27 27 LEU HA H 1 4.12 0.01 . 1 . . . . . . . . 4872 2 198 . 2 2 27 27 LEU HB2 H 1 2.02 0.01 . 1 . . . . . . . . 4872 2 199 . 2 2 27 27 LEU HB3 H 1 1.39 0.01 . 1 . . . . . . . . 4872 2 200 . 2 2 27 27 LEU HG H 1 1.88 0.01 . 1 . . . . . . . . 4872 2 201 . 2 2 27 27 LEU HD11 H 1 0.88 0.01 . 2 . . . . . . . . 4872 2 202 . 2 2 27 27 LEU HD12 H 1 0.88 0.01 . 2 . . . . . . . . 4872 2 203 . 2 2 27 27 LEU HD13 H 1 0.88 0.01 . 2 . . . . . . . . 4872 2 204 . 2 2 27 27 LEU HD21 H 1 0.96 0.01 . 2 . . . . . . . . 4872 2 205 . 2 2 27 27 LEU HD22 H 1 0.96 0.01 . 2 . . . . . . . . 4872 2 206 . 2 2 27 27 LEU HD23 H 1 0.96 0.01 . 2 . . . . . . . . 4872 2 207 . 2 2 28 28 ARG H H 1 8.7 0.01 . 1 . . . . . . . . 4872 2 208 . 2 2 28 28 ARG HA H 1 3.99 0.01 . 1 . . . . . . . . 4872 2 209 . 2 2 28 28 ARG HB2 H 1 1.88 0.01 . 2 . . . . . . . . 4872 2 210 . 2 2 28 28 ARG HB3 H 1 1.8 0.01 . 2 . . . . . . . . 4872 2 211 . 2 2 28 28 ARG HG2 H 1 1.64 0.01 . 1 . . . . . . . . 4872 2 212 . 2 2 28 28 ARG HG3 H 1 1.64 0.01 . 1 . . . . . . . . 4872 2 213 . 2 2 28 28 ARG HD2 H 1 3.17 0.01 . 2 . . . . . . . . 4872 2 214 . 2 2 28 28 ARG HD3 H 1 3.06 0.01 . 2 . . . . . . . . 4872 2 215 . 2 2 28 28 ARG HE H 1 7.13 0.01 . 1 . . . . . . . . 4872 2 216 . 2 2 29 29 HIS H H 1 7.74 0.01 . 1 . . . . . . . . 4872 2 217 . 2 2 29 29 HIS HA H 1 4.49 0.01 . 1 . . . . . . . . 4872 2 218 . 2 2 29 29 HIS HB2 H 1 3.36 0.01 . 2 . . . . . . . . 4872 2 219 . 2 2 29 29 HIS HB3 H 1 3.29 0.01 . 2 . . . . . . . . 4872 2 220 . 2 2 29 29 HIS HD2 H 1 7.26 0.01 . 1 . . . . . . . . 4872 2 221 . 2 2 29 29 HIS HE1 H 1 8.28 0.01 . 1 . . . . . . . . 4872 2 222 . 2 2 30 30 LYS H H 1 7.91 0.01 . 1 . . . . . . . . 4872 2 223 . 2 2 30 30 LYS HA H 1 4.22 0.01 . 1 . . . . . . . . 4872 2 224 . 2 2 30 30 LYS HB2 H 1 2.06 0.01 . 2 . . . . . . . . 4872 2 225 . 2 2 30 30 LYS HB3 H 1 2 0.01 . 2 . . . . . . . . 4872 2 226 . 2 2 30 30 LYS HG2 H 1 1.57 0.01 . 2 . . . . . . . . 4872 2 227 . 2 2 30 30 LYS HG3 H 1 1.5 0.01 . 2 . . . . . . . . 4872 2 228 . 2 2 30 30 LYS HD2 H 1 1.72 0.01 . 1 . . . . . . . . 4872 2 229 . 2 2 30 30 LYS HD3 H 1 1.72 0.01 . 1 . . . . . . . . 4872 2 230 . 2 2 30 30 LYS HE2 H 1 3.03 0.01 . 1 . . . . . . . . 4872 2 231 . 2 2 30 30 LYS HE3 H 1 3.03 0.01 . 1 . . . . . . . . 4872 2 232 . 2 2 31 31 CYS H H 1 8.3 0.01 . 1 . . . . . . . . 4872 2 233 . 2 2 31 31 CYS HA H 1 4.67 0.01 . 1 . . . . . . . . 4872 2 234 . 2 2 31 31 CYS HB2 H 1 3.36 0.01 . 2 . . . . . . . . 4872 2 235 . 2 2 31 31 CYS HB3 H 1 3.18 0.01 . 2 . . . . . . . . 4872 2 236 . 2 2 32 32 GLY H H 1 8 0.01 . 1 . . . . . . . . 4872 2 237 . 2 2 32 32 GLY HA2 H 1 3.97 0.01 . 2 . . . . . . . . 4872 2 238 . 2 2 32 32 GLY HA3 H 1 3.97 0.01 . 2 . . . . . . . . 4872 2 239 . 2 2 33 33 NH2 HN1 H 1 7.07 0.01 . 2 . . . . . . . . 4872 2 240 . 2 2 33 33 NH2 HN2 H 1 7.33 0.01 . 2 . . . . . . . . 4872 2 stop_ save_