################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5272 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $ex-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 . 5272 1 . . 2 $sample_2 . 5272 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 VAL N N 15 123.81 0.05 . 1 . . . . . . . . 5272 1 2 . 1 1 2 2 VAL H H 1 8.50 0.01 . 1 . . . . . . . . 5272 1 3 . 1 1 2 2 VAL HA H 1 4.13 0.01 . 1 . . . . . . . . 5272 1 4 . 1 1 2 2 VAL HB H 1 1.87 0.01 . 1 . . . . . . . . 5272 1 5 . 1 1 2 2 VAL HG11 H 1 0.72 0.01 . 2 . . . . . . . . 5272 1 6 . 1 1 2 2 VAL HG12 H 1 0.72 0.01 . 2 . . . . . . . . 5272 1 7 . 1 1 2 2 VAL HG13 H 1 0.72 0.01 . 2 . . . . . . . . 5272 1 8 . 1 1 2 2 VAL HG21 H 1 0.82 0.01 . 2 . . . . . . . . 5272 1 9 . 1 1 2 2 VAL HG22 H 1 0.82 0.01 . 2 . . . . . . . . 5272 1 10 . 1 1 2 2 VAL HG23 H 1 0.82 0.01 . 2 . . . . . . . . 5272 1 11 . 1 1 3 3 THR N N 15 118.57 0.05 . 1 . . . . . . . . 5272 1 12 . 1 1 3 3 THR H H 1 7.95 0.01 . 1 . . . . . . . . 5272 1 13 . 1 1 3 3 THR HA H 1 4.72 0.01 . 1 . . . . . . . . 5272 1 14 . 1 1 3 3 THR HB H 1 4.01 0.01 . 1 . . . . . . . . 5272 1 15 . 1 1 3 3 THR HG21 H 1 1.11 0.01 . 1 . . . . . . . . 5272 1 16 . 1 1 3 3 THR HG22 H 1 1.11 0.01 . 1 . . . . . . . . 5272 1 17 . 1 1 3 3 THR HG23 H 1 1.11 0.01 . 1 . . . . . . . . 5272 1 18 . 1 1 4 4 CYS N N 15 120.51 0.05 . 1 . . . . . . . . 5272 1 19 . 1 1 4 4 CYS H H 1 8.53 0.01 . 1 . . . . . . . . 5272 1 20 . 1 1 4 4 CYS HA H 1 4.59 0.01 . 1 . . . . . . . . 5272 1 21 . 1 1 4 4 CYS HB2 H 1 2.42 0.01 . 2 . . . . . . . . 5272 1 22 . 1 1 4 4 CYS HB3 H 1 2.81 0.01 . 2 . . . . . . . . 5272 1 23 . 1 1 5 5 GLU N N 15 120.40 0.05 . 1 . . . . . . . . 5272 1 24 . 1 1 5 5 GLU H H 1 8.51 0.01 . 1 . . . . . . . . 5272 1 25 . 1 1 5 5 GLU HA H 1 4.70 0.01 . 1 . . . . . . . . 5272 1 26 . 1 1 5 5 GLU HB2 H 1 2.42 0.01 . 2 . . . . . . . . 5272 1 27 . 1 1 5 5 GLU HB3 H 1 2.45 0.01 . 2 . . . . . . . . 5272 1 28 . 1 1 5 5 GLU HG2 H 1 1.96 0.01 . 2 . . . . . . . . 5272 1 29 . 1 1 5 5 GLU HG3 H 1 2.01 0.01 . 2 . . . . . . . . 5272 1 30 . 1 1 6 6 PRO HA H 1 4.00 0.01 . 1 . . . . . . . . 5272 1 31 . 1 1 6 6 PRO HB2 H 1 1.88 0.01 . 2 . . . . . . . . 5272 1 32 . 1 1 6 6 PRO HB3 H 1 2.28 0.01 . 2 . . . . . . . . 5272 1 33 . 1 1 6 6 PRO HG2 H 1 1.27 0.01 . 2 . . . . . . . . 5272 1 34 . 1 1 6 6 PRO HG3 H 1 2.11 0.01 . 2 . . . . . . . . 5272 1 35 . 1 1 6 6 PRO HD2 H 1 3.68 0.01 . 2 . . . . . . . . 5272 1 36 . 1 1 6 6 PRO HD3 H 1 4.27 0.01 . 2 . . . . . . . . 5272 1 37 . 1 1 7 7 GLY N N 15 110.57 0.05 . 1 . . . . . . . . 5272 1 38 . 1 1 7 7 GLY H H 1 7.56 0.01 . 1 . . . . . . . . 5272 1 39 . 1 1 7 7 GLY HA2 H 1 3.71 0.01 . 2 . . . . . . . . 5272 1 40 . 1 1 7 7 GLY HA3 H 1 4.18 0.01 . 2 . . . . . . . . 5272 1 41 . 1 1 8 8 THR N N 15 111.27 0.05 . 1 . . . . . . . . 5272 1 42 . 1 1 8 8 THR H H 1 7.65 0.01 . 1 . . . . . . . . 5272 1 43 . 1 1 8 8 THR HA H 1 4.59 0.01 . 1 . . . . . . . . 5272 1 44 . 1 1 8 8 THR HB H 1 4.40 0.01 . 1 . . . . . . . . 5272 1 45 . 1 1 8 8 THR HG21 H 1 1.23 0.01 . 1 . . . . . . . . 5272 1 46 . 1 1 8 8 THR HG22 H 1 1.23 0.01 . 1 . . . . . . . . 5272 1 47 . 1 1 8 8 THR HG23 H 1 1.23 0.01 . 1 . . . . . . . . 5272 1 48 . 1 1 9 9 THR N N 15 115.41 0.05 . 1 . . . . . . . . 5272 1 49 . 1 1 9 9 THR H H 1 8.50 0.01 . 1 . . . . . . . . 5272 1 50 . 1 1 9 9 THR HA H 1 5.47 0.01 . 1 . . . . . . . . 5272 1 51 . 1 1 9 9 THR HB H 1 4.00 0.01 . 1 . . . . . . . . 5272 1 52 . 1 1 9 9 THR HG21 H 1 1.10 0.01 . 1 . . . . . . . . 5272 1 53 . 1 1 9 9 THR HG22 H 1 1.10 0.01 . 1 . . . . . . . . 5272 1 54 . 1 1 9 9 THR HG23 H 1 1.10 0.01 . 1 . . . . . . . . 5272 1 55 . 1 1 10 10 PHE N N 15 121.66 0.05 . 1 . . . . . . . . 5272 1 56 . 1 1 10 10 PHE H H 1 8.87 0.01 . 1 . . . . . . . . 5272 1 57 . 1 1 10 10 PHE HA H 1 5.01 0.01 . 1 . . . . . . . . 5272 1 58 . 1 1 10 10 PHE HB2 H 1 3.09 0.01 . 1 . . . . . . . . 5272 1 59 . 1 1 10 10 PHE HB3 H 1 3.09 0.01 . 1 . . . . . . . . 5272 1 60 . 1 1 10 10 PHE HD1 H 1 6.95 0.01 . 3 . . . . . . . . 5272 1 61 . 1 1 10 10 PHE HE1 H 1 7.03 0.01 . 3 . . . . . . . . 5272 1 62 . 1 1 10 10 PHE HZ H 1 6.86 0.01 . 1 . . . . . . . . 5272 1 63 . 1 1 11 11 LYS N N 15 120.28 0.05 . 1 . . . . . . . . 5272 1 64 . 1 1 11 11 LYS H H 1 8.73 0.01 . 1 . . . . . . . . 5272 1 65 . 1 1 11 11 LYS HA H 1 4.74 0.01 . 1 . . . . . . . . 5272 1 66 . 1 1 11 11 LYS HB2 H 1 1.76 0.01 . 2 . . . . . . . . 5272 1 67 . 1 1 11 11 LYS HB3 H 1 1.83 0.01 . 2 . . . . . . . . 5272 1 68 . 1 1 11 11 LYS HG2 H 1 1.36 0.01 . 2 . . . . . . . . 5272 1 69 . 1 1 11 11 LYS HG3 H 1 1.48 0.01 . 2 . . . . . . . . 5272 1 70 . 1 1 11 11 LYS HD2 H 1 1.60 0.01 . 1 . . . . . . . . 5272 1 71 . 1 1 11 11 LYS HD3 H 1 1.60 0.01 . 1 . . . . . . . . 5272 1 72 . 1 1 11 11 LYS HE2 H 1 2.89 0.01 . 1 . . . . . . . . 5272 1 73 . 1 1 11 11 LYS HE3 H 1 2.89 0.01 . 1 . . . . . . . . 5272 1 74 . 1 1 11 11 LYS HZ1 H 1 7.39 0.01 . 1 . . . . . . . . 5272 1 75 . 1 1 11 11 LYS HZ2 H 1 7.39 0.01 . 1 . . . . . . . . 5272 1 76 . 1 1 11 11 LYS HZ3 H 1 7.39 0.01 . 1 . . . . . . . . 5272 1 77 . 1 1 12 12 ASP N N 15 121.69 0.05 . 1 . . . . . . . . 5272 1 78 . 1 1 12 12 ASP H H 1 8.18 0.01 . 1 . . . . . . . . 5272 1 79 . 1 1 12 12 ASP HA H 1 4.80 0.01 . 1 . . . . . . . . 5272 1 80 . 1 1 12 12 ASP HB2 H 1 2.54 0.01 . 2 . . . . . . . . 5272 1 81 . 1 1 12 12 ASP HB3 H 1 2.71 0.01 . 2 . . . . . . . . 5272 1 82 . 1 1 13 13 LYS N N 15 124.68 0.05 . 1 . . . . . . . . 5272 1 83 . 1 1 13 13 LYS H H 1 9.44 0.01 . 1 . . . . . . . . 5272 1 84 . 1 1 13 13 LYS HA H 1 3.77 0.01 . 1 . . . . . . . . 5272 1 85 . 1 1 13 13 LYS HB2 H 1 1.88 0.01 . 2 . . . . . . . . 5272 1 86 . 1 1 13 13 LYS HB3 H 1 2.18 0.01 . 2 . . . . . . . . 5272 1 87 . 1 1 13 13 LYS HG2 H 1 1.47 0.01 . 2 . . . . . . . . 5272 1 88 . 1 1 13 13 LYS HG3 H 1 1.58 0.01 . 2 . . . . . . . . 5272 1 89 . 1 1 14 14 CYS N N 15 118.93 0.05 . 1 . . . . . . . . 5272 1 90 . 1 1 14 14 CYS H H 1 8.40 0.01 . 1 . . . . . . . . 5272 1 91 . 1 1 14 14 CYS HA H 1 4.88 0.01 . 1 . . . . . . . . 5272 1 92 . 1 1 14 14 CYS HB2 H 1 3.11 0.01 . 2 . . . . . . . . 5272 1 93 . 1 1 14 14 CYS HB3 H 1 3.31 0.01 . 2 . . . . . . . . 5272 1 94 . 1 1 15 15 ASN N N 15 122.06 0.05 . 1 . . . . . . . . 5272 1 95 . 1 1 15 15 ASN H H 1 8.30 0.01 . 1 . . . . . . . . 5272 1 96 . 1 1 15 15 ASN HA H 1 4.79 0.01 . 1 . . . . . . . . 5272 1 97 . 1 1 15 15 ASN HB2 H 1 2.59 0.01 . 2 . . . . . . . . 5272 1 98 . 1 1 15 15 ASN HB3 H 1 2.82 0.01 . 2 . . . . . . . . 5272 1 99 . 1 1 15 15 ASN HD21 H 1 7.99 0.01 . 2 . . . . . . . . 5272 1 100 . 1 1 15 15 ASN HD22 H 1 8.21 0.01 . 2 . . . . . . . . 5272 1 101 . 1 1 16 16 THR N N 15 115.81 0.05 . 1 . . . . . . . . 5272 1 102 . 1 1 16 16 THR H H 1 8.16 0.01 . 1 . . . . . . . . 5272 1 103 . 1 1 16 16 THR HA H 1 4.50 0.01 . 1 . . . . . . . . 5272 1 104 . 1 1 16 16 THR HB H 1 3.86 0.01 . 1 . . . . . . . . 5272 1 105 . 1 1 16 16 THR HG21 H 1 1.06 0.01 . 1 . . . . . . . . 5272 1 106 . 1 1 16 16 THR HG22 H 1 1.06 0.01 . 1 . . . . . . . . 5272 1 107 . 1 1 16 16 THR HG23 H 1 1.06 0.01 . 1 . . . . . . . . 5272 1 108 . 1 1 17 17 CYS N N 15 123.83 0.05 . 1 . . . . . . . . 5272 1 109 . 1 1 17 17 CYS H H 1 8.91 0.01 . 1 . . . . . . . . 5272 1 110 . 1 1 17 17 CYS HA H 1 5.18 0.01 . 1 . . . . . . . . 5272 1 111 . 1 1 17 17 CYS HB2 H 1 1.86 0.01 . 1 . . . . . . . . 5272 1 112 . 1 1 17 17 CYS HB3 H 1 1.06 0.01 . 1 . . . . . . . . 5272 1 113 . 1 1 18 18 ARG N N 15 121.44 0.05 . 1 . . . . . . . . 5272 1 114 . 1 1 18 18 ARG H H 1 8.57 0.01 . 1 . . . . . . . . 5272 1 115 . 1 1 18 18 ARG HA H 1 4.91 0.01 . 1 . . . . . . . . 5272 1 116 . 1 1 18 18 ARG HB2 H 1 1.64 0.01 . 2 . . . . . . . . 5272 1 117 . 1 1 18 18 ARG HB3 H 1 1.76 0.01 . 2 . . . . . . . . 5272 1 118 . 1 1 18 18 ARG HG2 H 1 1.42 0.01 . 2 . . . . . . . . 5272 1 119 . 1 1 18 18 ARG HG3 H 1 1.48 0.01 . 2 . . . . . . . . 5272 1 120 . 1 1 18 18 ARG HD2 H 1 3.09 0.01 . 1 . . . . . . . . 5272 1 121 . 1 1 18 18 ARG HD3 H 1 3.09 0.01 . 1 . . . . . . . . 5272 1 122 . 1 1 18 18 ARG HE H 1 7.05 0.01 . 1 . . . . . . . . 5272 1 123 . 1 1 19 19 CYS N N 15 128.49 0.05 . 1 . . . . . . . . 5272 1 124 . 1 1 19 19 CYS H H 1 9.40 0.01 . 1 . . . . . . . . 5272 1 125 . 1 1 19 19 CYS HA H 1 4.71 0.01 . 1 . . . . . . . . 5272 1 126 . 1 1 19 19 CYS HB2 H 1 2.89 0.01 . 2 . . . . . . . . 5272 1 127 . 1 1 19 19 CYS HB3 H 1 3.33 0.01 . 2 . . . . . . . . 5272 1 128 . 1 1 20 20 GLY N N 15 118.96 0.05 . 1 . . . . . . . . 5272 1 129 . 1 1 20 20 GLY H H 1 9.12 0.01 . 1 . . . . . . . . 5272 1 130 . 1 1 20 20 GLY HA2 H 1 3.89 0.01 . 2 . . . . . . . . 5272 1 131 . 1 1 20 20 GLY HA3 H 1 4.24 0.01 . 2 . . . . . . . . 5272 1 132 . 1 1 21 21 SER N N 15 115.40 0.05 . 1 . . . . . . . . 5272 1 133 . 1 1 21 21 SER H H 1 8.66 0.01 . 1 . . . . . . . . 5272 1 134 . 1 1 21 21 SER HA H 1 4.09 0.01 . 1 . . . . . . . . 5272 1 135 . 1 1 21 21 SER HB2 H 1 3.90 0.01 . 1 . . . . . . . . 5272 1 136 . 1 1 21 21 SER HB3 H 1 3.90 0.01 . 1 . . . . . . . . 5272 1 137 . 1 1 22 22 ASP N N 15 116.98 0.05 . 1 . . . . . . . . 5272 1 138 . 1 1 22 22 ASP H H 1 7.99 0.01 . 1 . . . . . . . . 5272 1 139 . 1 1 22 22 ASP HA H 1 4.53 0.01 . 1 . . . . . . . . 5272 1 140 . 1 1 22 22 ASP HB2 H 1 2.70 0.01 . 2 . . . . . . . . 5272 1 141 . 1 1 22 22 ASP HB3 H 1 2.96 0.01 . 2 . . . . . . . . 5272 1 142 . 1 1 23 23 GLY N N 15 108.30 0.05 . 1 . . . . . . . . 5272 1 143 . 1 1 23 23 GLY H H 1 7.88 0.01 . 1 . . . . . . . . 5272 1 144 . 1 1 23 23 GLY HA2 H 1 3.96 0.01 . 2 . . . . . . . . 5272 1 145 . 1 1 23 23 GLY HA3 H 1 4.16 0.01 . 2 . . . . . . . . 5272 1 146 . 1 1 24 24 LYS N N 15 117.95 0.05 . 1 . . . . . . . . 5272 1 147 . 1 1 24 24 LYS H H 1 7.87 0.01 . 1 . . . . . . . . 5272 1 148 . 1 1 24 24 LYS HA H 1 4.98 0.01 . 1 . . . . . . . . 5272 1 149 . 1 1 24 24 LYS HB2 H 1 1.49 0.01 . 2 . . . . . . . . 5272 1 150 . 1 1 24 24 LYS HB3 H 1 1.98 0.01 . 2 . . . . . . . . 5272 1 151 . 1 1 24 24 LYS HG2 H 1 1.29 0.01 . 2 . . . . . . . . 5272 1 152 . 1 1 24 24 LYS HG3 H 1 1.31 0.01 . 2 . . . . . . . . 5272 1 153 . 1 1 24 24 LYS HD2 H 1 1.60 0.01 . 2 . . . . . . . . 5272 1 154 . 1 1 24 24 LYS HD3 H 1 1.67 0.01 . 2 . . . . . . . . 5272 1 155 . 1 1 24 24 LYS HE2 H 1 2.94 0.01 . 1 . . . . . . . . 5272 1 156 . 1 1 24 24 LYS HE3 H 1 2.94 0.01 . 1 . . . . . . . . 5272 1 157 . 1 1 24 24 LYS HZ1 H 1 7.47 0.01 . 1 . . . . . . . . 5272 1 158 . 1 1 24 24 LYS HZ2 H 1 7.47 0.01 . 1 . . . . . . . . 5272 1 159 . 1 1 24 24 LYS HZ3 H 1 7.47 0.01 . 1 . . . . . . . . 5272 1 160 . 1 1 25 25 SER N N 15 113.55 0.05 . 1 . . . . . . . . 5272 1 161 . 1 1 25 25 SER H H 1 7.78 0.01 . 1 . . . . . . . . 5272 1 162 . 1 1 25 25 SER HA H 1 4.52 0.01 . 1 . . . . . . . . 5272 1 163 . 1 1 25 25 SER HB2 H 1 3.77 0.01 . 2 . . . . . . . . 5272 1 164 . 1 1 25 25 SER HB3 H 1 3.98 0.01 . 2 . . . . . . . . 5272 1 165 . 1 1 26 26 ALA N N 15 121.81 0.05 . 1 . . . . . . . . 5272 1 166 . 1 1 26 26 ALA H H 1 8.65 0.01 . 1 . . . . . . . . 5272 1 167 . 1 1 26 26 ALA HA H 1 4.92 0.01 . 1 . . . . . . . . 5272 1 168 . 1 1 26 26 ALA HB1 H 1 1.36 0.01 . 1 . . . . . . . . 5272 1 169 . 1 1 26 26 ALA HB2 H 1 1.36 0.01 . 1 . . . . . . . . 5272 1 170 . 1 1 26 26 ALA HB3 H 1 1.36 0.01 . 1 . . . . . . . . 5272 1 171 . 1 1 27 27 ALA N N 15 124.65 0.05 . 1 . . . . . . . . 5272 1 172 . 1 1 27 27 ALA H H 1 8.08 0.01 . 1 . . . . . . . . 5272 1 173 . 1 1 27 27 ALA HA H 1 4.70 0.01 . 1 . . . . . . . . 5272 1 174 . 1 1 27 27 ALA HB1 H 1 1.35 0.01 . 1 . . . . . . . . 5272 1 175 . 1 1 27 27 ALA HB2 H 1 1.35 0.01 . 1 . . . . . . . . 5272 1 176 . 1 1 27 27 ALA HB3 H 1 1.35 0.01 . 1 . . . . . . . . 5272 1 177 . 1 1 28 28 CYS N N 15 123.28 0.05 . 1 . . . . . . . . 5272 1 178 . 1 1 28 28 CYS H H 1 8.76 0.01 . 1 . . . . . . . . 5272 1 179 . 1 1 28 28 CYS HA H 1 5.56 0.01 . 1 . . . . . . . . 5272 1 180 . 1 1 28 28 CYS HB2 H 1 2.83 0.01 . 2 . . . . . . . . 5272 1 181 . 1 1 28 28 CYS HB3 H 1 2.96 0.01 . 2 . . . . . . . . 5272 1 182 . 1 1 29 29 THR N N 15 113.29 0.05 . 1 . . . . . . . . 5272 1 183 . 1 1 29 29 THR H H 1 8.43 0.01 . 1 . . . . . . . . 5272 1 184 . 1 1 29 29 THR HA H 1 4.23 0.01 . 1 . . . . . . . . 5272 1 185 . 1 1 29 29 THR HB H 1 4.47 0.01 . 1 . . . . . . . . 5272 1 186 . 1 1 29 29 THR HG21 H 1 1.33 0.01 . 1 . . . . . . . . 5272 1 187 . 1 1 29 29 THR HG22 H 1 1.33 0.01 . 1 . . . . . . . . 5272 1 188 . 1 1 29 29 THR HG23 H 1 1.33 0.01 . 1 . . . . . . . . 5272 1 189 . 1 1 30 30 LEU N N 15 122.61 0.05 . 1 . . . . . . . . 5272 1 190 . 1 1 30 30 LEU H H 1 8.32 0.01 . 1 . . . . . . . . 5272 1 191 . 1 1 30 30 LEU HA H 1 4.46 0.01 . 1 . . . . . . . . 5272 1 192 . 1 1 30 30 LEU HB2 H 1 1.45 0.01 . 2 . . . . . . . . 5272 1 193 . 1 1 30 30 LEU HB3 H 1 1.67 0.01 . 2 . . . . . . . . 5272 1 194 . 1 1 30 30 LEU HG H 1 1.53 0.01 . 1 . . . . . . . . 5272 1 195 . 1 1 30 30 LEU HD11 H 1 0.73 0.01 . 2 . . . . . . . . 5272 1 196 . 1 1 30 30 LEU HD12 H 1 0.73 0.01 . 2 . . . . . . . . 5272 1 197 . 1 1 30 30 LEU HD13 H 1 0.73 0.01 . 2 . . . . . . . . 5272 1 198 . 1 1 30 30 LEU HD21 H 1 0.88 0.01 . 2 . . . . . . . . 5272 1 199 . 1 1 30 30 LEU HD22 H 1 0.88 0.01 . 2 . . . . . . . . 5272 1 200 . 1 1 30 30 LEU HD23 H 1 0.88 0.01 . 2 . . . . . . . . 5272 1 201 . 1 1 31 31 LYS N N 15 122.84 0.05 . 1 . . . . . . . . 5272 1 202 . 1 1 31 31 LYS H H 1 8.50 0.01 . 1 . . . . . . . . 5272 1 203 . 1 1 31 31 LYS HA H 1 4.18 0.01 . 1 . . . . . . . . 5272 1 204 . 1 1 31 31 LYS HB2 H 1 1.41 0.01 . 2 . . . . . . . . 5272 1 205 . 1 1 31 31 LYS HB3 H 1 1.73 0.01 . 2 . . . . . . . . 5272 1 206 . 1 1 32 32 ALA N N 15 125.79 0.05 . 1 . . . . . . . . 5272 1 207 . 1 1 32 32 ALA H H 1 8.46 0.01 . 1 . . . . . . . . 5272 1 208 . 1 1 32 32 ALA HA H 1 4.31 0.01 . 1 . . . . . . . . 5272 1 209 . 1 1 32 32 ALA HB1 H 1 1.33 0.01 . 1 . . . . . . . . 5272 1 210 . 1 1 32 32 ALA HB2 H 1 1.33 0.01 . 1 . . . . . . . . 5272 1 211 . 1 1 32 32 ALA HB3 H 1 1.33 0.01 . 1 . . . . . . . . 5272 1 212 . 1 1 33 33 CYS N N 15 121.80 0.05 . 1 . . . . . . . . 5272 1 213 . 1 1 33 33 CYS H H 1 8.58 0.01 . 1 . . . . . . . . 5272 1 214 . 1 1 33 33 CYS HA H 1 5.14 0.01 . 1 . . . . . . . . 5272 1 215 . 1 1 33 33 CYS HB2 H 1 2.76 0.01 . 2 . . . . . . . . 5272 1 216 . 1 1 33 33 CYS HB3 H 1 3.45 0.01 . 2 . . . . . . . . 5272 1 217 . 1 1 34 34 PRO HA H 1 4.42 0.01 . 1 . . . . . . . . 5272 1 218 . 1 1 34 34 PRO HB2 H 1 1.95 0.01 . 2 . . . . . . . . 5272 1 219 . 1 1 34 34 PRO HB3 H 1 2.28 0.01 . 2 . . . . . . . . 5272 1 220 . 1 1 34 34 PRO HG2 H 1 2.02 0.01 . 1 . . . . . . . . 5272 1 221 . 1 1 34 34 PRO HG3 H 1 2.02 0.01 . 1 . . . . . . . . 5272 1 222 . 1 1 34 34 PRO HD2 H 1 3.68 0.01 . 2 . . . . . . . . 5272 1 223 . 1 1 34 34 PRO HD3 H 1 3.80 0.01 . 2 . . . . . . . . 5272 1 224 . 1 1 35 35 GLN H H 1 8.32 0.01 . 1 . . . . . . . . 5272 1 225 . 1 1 35 35 GLN HA H 1 4.19 0.01 . 1 . . . . . . . . 5272 1 226 . 1 1 35 35 GLN HB2 H 1 1.93 0.01 . 2 . . . . . . . . 5272 1 227 . 1 1 35 35 GLN HB3 H 1 2.33 0.01 . 2 . . . . . . . . 5272 1 228 . 1 1 35 35 GLN HG2 H 1 2.14 0.01 . 1 . . . . . . . . 5272 1 229 . 1 1 35 35 GLN HG3 H 1 2.14 0.01 . 1 . . . . . . . . 5272 1 stop_ save_