################################### # 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_shifts_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_set_1 _Assigned_chem_shift_list.Entry_ID 5192 _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 . 5192 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 1 1 PRO HA H 1 4.34 . . 1 . . . . . . . . 5192 1 2 . 1 1 1 1 PRO HB2 H 1 2.45 . . 1 . . . . . . . . 5192 1 3 . 1 1 1 1 PRO HB3 H 1 2.45 . . 1 . . . . . . . . 5192 1 4 . 1 1 1 1 PRO HG2 H 1 2.06 . . 1 . . . . . . . . 5192 1 5 . 1 1 1 1 PRO HG3 H 1 2.06 . . 1 . . . . . . . . 5192 1 6 . 1 1 1 1 PRO HD2 H 1 3.44 . . 2 . . . . . . . . 5192 1 7 . 1 1 1 1 PRO HD3 H 1 3.52 . . 2 . . . . . . . . 5192 1 8 . 1 1 2 2 ASP H H 1 8.80 . . 1 . . . . . . . . 5192 1 9 . 1 1 2 2 ASP HA H 1 4.56 . . 1 . . . . . . . . 5192 1 10 . 1 1 2 2 ASP HB2 H 1 2.74 . . 2 . . . . . . . . 5192 1 11 . 1 1 2 2 ASP HB3 H 1 2.65 . . 2 . . . . . . . . 5192 1 12 . 1 1 3 3 LYS H H 1 8.38 . . 1 . . . . . . . . 5192 1 13 . 1 1 3 3 LYS HA H 1 4.21 . . 1 . . . . . . . . 5192 1 14 . 1 1 3 3 LYS HB2 H 1 1.80 . . 2 . . . . . . . . 5192 1 15 . 1 1 3 3 LYS HB3 H 1 1.77 . . 2 . . . . . . . . 5192 1 16 . 1 1 3 3 LYS HG2 H 1 1.39 . . 1 . . . . . . . . 5192 1 17 . 1 1 3 3 LYS HG3 H 1 1.39 . . 1 . . . . . . . . 5192 1 18 . 1 1 3 3 LYS HD2 H 1 1.64 . . 1 . . . . . . . . 5192 1 19 . 1 1 3 3 LYS HD3 H 1 1.64 . . 1 . . . . . . . . 5192 1 20 . 1 1 3 3 LYS HE2 H 1 2.96 . . 1 . . . . . . . . 5192 1 21 . 1 1 3 3 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 5192 1 22 . 1 1 4 4 ASP H H 1 8.16 . . 1 . . . . . . . . 5192 1 23 . 1 1 4 4 ASP HA H 1 4.52 . . 1 . . . . . . . . 5192 1 24 . 1 1 4 4 ASP HB2 H 1 2.56 . . 1 . . . . . . . . 5192 1 25 . 1 1 4 4 ASP HB3 H 1 2.56 . . 1 . . . . . . . . 5192 1 26 . 1 1 5 5 PHE H H 1 7.92 . . 1 . . . . . . . . 5192 1 27 . 1 1 5 5 PHE HA H 1 4.55 . . 1 . . . . . . . . 5192 1 28 . 1 1 5 5 PHE HB2 H 1 3.18 . . 2 . . . . . . . . 5192 1 29 . 1 1 5 5 PHE HB3 H 1 2.98 . . 2 . . . . . . . . 5192 1 30 . 1 1 5 5 PHE HD1 H 1 7.23 . . 1 . . . . . . . . 5192 1 31 . 1 1 5 5 PHE HD2 H 1 7.23 . . 1 . . . . . . . . 5192 1 32 . 1 1 6 6 ILE H H 1 7.85 . . 1 . . . . . . . . 5192 1 33 . 1 1 6 6 ILE HA H 1 4.13 . . 1 . . . . . . . . 5192 1 34 . 1 1 6 6 ILE HB H 1 1.84 . . 1 . . . . . . . . 5192 1 35 . 1 1 6 6 ILE HG12 H 1 1.47 . . 2 . . . . . . . . 5192 1 36 . 1 1 6 6 ILE HG13 H 1 1.13 . . 2 . . . . . . . . 5192 1 37 . 1 1 6 6 ILE HG21 H 1 0.86 . . 1 . . . . . . . . 5192 1 38 . 1 1 6 6 ILE HG22 H 1 0.86 . . 1 . . . . . . . . 5192 1 39 . 1 1 6 6 ILE HG23 H 1 0.86 . . 1 . . . . . . . . 5192 1 40 . 1 1 6 6 ILE HD11 H 1 0.86 . . 1 . . . . . . . . 5192 1 41 . 1 1 6 6 ILE HD12 H 1 0.86 . . 1 . . . . . . . . 5192 1 42 . 1 1 6 6 ILE HD13 H 1 0.86 . . 1 . . . . . . . . 5192 1 43 . 1 1 7 7 VAL H H 1 7.98 . . 1 . . . . . . . . 5192 1 44 . 1 1 7 7 VAL HA H 1 4.10 . . 1 . . . . . . . . 5192 1 45 . 1 1 7 7 VAL HB H 1 2.02 . . 1 . . . . . . . . 5192 1 46 . 1 1 7 7 VAL HG11 H 1 0.90 . . 2 . . . . . . . . 5192 1 47 . 1 1 7 7 VAL HG12 H 1 0.90 . . 2 . . . . . . . . 5192 1 48 . 1 1 7 7 VAL HG13 H 1 0.90 . . 2 . . . . . . . . 5192 1 49 . 1 1 7 7 VAL HG21 H 1 0.93 . . 2 . . . . . . . . 5192 1 50 . 1 1 7 7 VAL HG22 H 1 0.93 . . 2 . . . . . . . . 5192 1 51 . 1 1 7 7 VAL HG23 H 1 0.93 . . 2 . . . . . . . . 5192 1 52 . 1 1 8 8 ASN H H 1 8.62 . . 1 . . . . . . . . 5192 1 53 . 1 1 8 8 ASN HA H 1 4.99 . . 1 . . . . . . . . 5192 1 54 . 1 1 8 8 ASN HB2 H 1 2.70 . . 2 . . . . . . . . 5192 1 55 . 1 1 8 8 ASN HB3 H 1 2.96 . . 2 . . . . . . . . 5192 1 56 . 1 1 8 8 ASN HD21 H 1 7.76 . . 2 . . . . . . . . 5192 1 57 . 1 1 8 8 ASN HD22 H 1 6.96 . . 2 . . . . . . . . 5192 1 58 . 1 1 9 9 PRO HA H 1 4.27 . . 1 . . . . . . . . 5192 1 59 . 1 1 9 9 PRO HB2 H 1 2.30 . . 2 . . . . . . . . 5192 1 60 . 1 1 9 9 PRO HB3 H 1 2.09 . . 2 . . . . . . . . 5192 1 61 . 1 1 9 9 PRO HG2 H 1 2.00 . . 1 . . . . . . . . 5192 1 62 . 1 1 9 9 PRO HG3 H 1 2.00 . . 1 . . . . . . . . 5192 1 63 . 1 1 9 9 PRO HD2 H 1 3.84 . . 2 . . . . . . . . 5192 1 64 . 1 1 9 9 PRO HD3 H 1 3.93 . . 2 . . . . . . . . 5192 1 65 . 1 1 10 10 SER H H 1 8.16 . . 1 . . . . . . . . 5192 1 66 . 1 1 10 10 SER HA H 1 4.22 . . 1 . . . . . . . . 5192 1 67 . 1 1 10 10 SER HB2 H 1 3.84 . . 2 . . . . . . . . 5192 1 68 . 1 1 10 10 SER HB3 H 1 3.89 . . 2 . . . . . . . . 5192 1 69 . 1 1 11 11 ASP H H 1 8.02 . . 1 . . . . . . . . 5192 1 70 . 1 1 11 11 ASP HA H 1 4.55 . . 1 . . . . . . . . 5192 1 71 . 1 1 11 11 ASP HB2 H 1 2.76 . . 2 . . . . . . . . 5192 1 72 . 1 1 11 11 ASP HB3 H 1 2.79 . . 2 . . . . . . . . 5192 1 73 . 1 1 12 12 LEU H H 1 7.65 . . 1 . . . . . . . . 5192 1 74 . 1 1 12 12 LEU HA H 1 4.22 . . 1 . . . . . . . . 5192 1 75 . 1 1 12 12 LEU HB2 H 1 1.75 . . 1 . . . . . . . . 5192 1 76 . 1 1 12 12 LEU HB3 H 1 1.75 . . 1 . . . . . . . . 5192 1 77 . 1 1 12 12 LEU HG H 1 1.62 . . 1 . . . . . . . . 5192 1 78 . 1 1 12 12 LEU HD11 H 1 0.91 . . 2 . . . . . . . . 5192 1 79 . 1 1 12 12 LEU HD12 H 1 0.91 . . 2 . . . . . . . . 5192 1 80 . 1 1 12 12 LEU HD13 H 1 0.91 . . 2 . . . . . . . . 5192 1 81 . 1 1 12 12 LEU HD21 H 1 0.85 . . 2 . . . . . . . . 5192 1 82 . 1 1 12 12 LEU HD22 H 1 0.85 . . 2 . . . . . . . . 5192 1 83 . 1 1 12 12 LEU HD23 H 1 0.85 . . 2 . . . . . . . . 5192 1 84 . 1 1 13 13 VAL H H 1 7.61 . . 1 . . . . . . . . 5192 1 85 . 1 1 13 13 VAL HA H 1 3.96 . . 1 . . . . . . . . 5192 1 86 . 1 1 13 13 VAL HB H 1 2.17 . . 1 . . . . . . . . 5192 1 87 . 1 1 13 13 VAL HG11 H 1 0.99 . . 2 . . . . . . . . 5192 1 88 . 1 1 13 13 VAL HG12 H 1 0.99 . . 2 . . . . . . . . 5192 1 89 . 1 1 13 13 VAL HG13 H 1 0.99 . . 2 . . . . . . . . 5192 1 90 . 1 1 13 13 VAL HG21 H 1 0.94 . . 2 . . . . . . . . 5192 1 91 . 1 1 13 13 VAL HG22 H 1 0.94 . . 2 . . . . . . . . 5192 1 92 . 1 1 13 13 VAL HG23 H 1 0.94 . . 2 . . . . . . . . 5192 1 93 . 1 1 14 14 LEU H H 1 7.96 . . 1 . . . . . . . . 5192 1 94 . 1 1 14 14 LEU HA H 1 4.26 . . 1 . . . . . . . . 5192 1 95 . 1 1 14 14 LEU HB2 H 1 1.73 . . 1 . . . . . . . . 5192 1 96 . 1 1 14 14 LEU HB3 H 1 1.73 . . 1 . . . . . . . . 5192 1 97 . 1 1 14 14 LEU HG H 1 1.59 . . 1 . . . . . . . . 5192 1 98 . 1 1 14 14 LEU HD11 H 1 0.91 . . 2 . . . . . . . . 5192 1 99 . 1 1 14 14 LEU HD12 H 1 0.91 . . 2 . . . . . . . . 5192 1 100 . 1 1 14 14 LEU HD13 H 1 0.91 . . 2 . . . . . . . . 5192 1 101 . 1 1 14 14 LEU HD21 H 1 0.87 . . 2 . . . . . . . . 5192 1 102 . 1 1 14 14 LEU HD22 H 1 0.87 . . 2 . . . . . . . . 5192 1 103 . 1 1 14 14 LEU HD23 H 1 0.87 . . 2 . . . . . . . . 5192 1 104 . 1 1 15 15 ASP H H 1 8.19 . . 1 . . . . . . . . 5192 1 105 . 1 1 15 15 ASP HA H 1 4.59 . . 1 . . . . . . . . 5192 1 106 . 1 1 15 15 ASP HB2 H 1 2.75 . . 2 . . . . . . . . 5192 1 107 . 1 1 15 15 ASP HB3 H 1 2.80 . . 2 . . . . . . . . 5192 1 108 . 1 1 16 16 ASN H H 1 8.38 . . 1 . . . . . . . . 5192 1 109 . 1 1 16 16 ASN HA H 1 4.60 . . 1 . . . . . . . . 5192 1 110 . 1 1 16 16 ASN HB2 H 1 2.84 . . 2 . . . . . . . . 5192 1 111 . 1 1 16 16 ASN HB3 H 1 2.91 . . 2 . . . . . . . . 5192 1 112 . 1 1 16 16 ASN HD21 H 1 7.70 . . 2 . . . . . . . . 5192 1 113 . 1 1 16 16 ASN HD22 H 1 6.91 . . 2 . . . . . . . . 5192 1 114 . 1 1 17 17 LYS H H 1 8.36 . . 1 . . . . . . . . 5192 1 115 . 1 1 17 17 LYS HA H 1 4.13 . . 1 . . . . . . . . 5192 1 116 . 1 1 17 17 LYS HB2 H 1 1.98 . . 2 . . . . . . . . 5192 1 117 . 1 1 17 17 LYS HB3 H 1 1.92 . . 2 . . . . . . . . 5192 1 118 . 1 1 17 17 LYS HG2 H 1 1.47 . . 2 . . . . . . . . 5192 1 119 . 1 1 17 17 LYS HG3 H 1 1.53 . . 2 . . . . . . . . 5192 1 120 . 1 1 17 17 LYS HD2 H 1 1.73 . . 2 . . . . . . . . 5192 1 121 . 1 1 17 17 LYS HD3 H 1 1.63 . . 2 . . . . . . . . 5192 1 122 . 1 1 17 17 LYS HE2 H 1 2.99 . . 1 . . . . . . . . 5192 1 123 . 1 1 17 17 LYS HE3 H 1 2.99 . . 1 . . . . . . . . 5192 1 124 . 1 1 18 18 ALA H H 1 8.12 . . 1 . . . . . . . . 5192 1 125 . 1 1 18 18 ALA HA H 1 4.02 . . 1 . . . . . . . . 5192 1 126 . 1 1 18 18 ALA HB1 H 1 1.52 . . 1 . . . . . . . . 5192 1 127 . 1 1 18 18 ALA HB2 H 1 1.52 . . 1 . . . . . . . . 5192 1 128 . 1 1 18 18 ALA HB3 H 1 1.52 . . 1 . . . . . . . . 5192 1 129 . 1 1 19 19 ALA H H 1 8.13 . . 1 . . . . . . . . 5192 1 130 . 1 1 19 19 ALA HA H 1 4.19 . . 1 . . . . . . . . 5192 1 131 . 1 1 19 19 ALA HB1 H 1 1.49 . . 1 . . . . . . . . 5192 1 132 . 1 1 19 19 ALA HB2 H 1 1.49 . . 1 . . . . . . . . 5192 1 133 . 1 1 19 19 ALA HB3 H 1 1.49 . . 1 . . . . . . . . 5192 1 134 . 1 1 20 20 LEU H H 1 7.94 . . 1 . . . . . . . . 5192 1 135 . 1 1 20 20 LEU HA H 1 4.20 . . 1 . . . . . . . . 5192 1 136 . 1 1 20 20 LEU HB2 H 1 1.75 . . 2 . . . . . . . . 5192 1 137 . 1 1 20 20 LEU HB3 H 1 1.83 . . 2 . . . . . . . . 5192 1 138 . 1 1 20 20 LEU HG H 1 1.72 . . 1 . . . . . . . . 5192 1 139 . 1 1 20 20 LEU HD11 H 1 1.00 . . 2 . . . . . . . . 5192 1 140 . 1 1 20 20 LEU HD12 H 1 1.00 . . 2 . . . . . . . . 5192 1 141 . 1 1 20 20 LEU HD13 H 1 1.00 . . 2 . . . . . . . . 5192 1 142 . 1 1 20 20 LEU HD21 H 1 0.93 . . 2 . . . . . . . . 5192 1 143 . 1 1 20 20 LEU HD22 H 1 0.93 . . 2 . . . . . . . . 5192 1 144 . 1 1 20 20 LEU HD23 H 1 0.93 . . 2 . . . . . . . . 5192 1 145 . 1 1 21 21 ARG H H 1 8.12 . . 1 . . . . . . . . 5192 1 146 . 1 1 21 21 ARG HA H 1 3.96 . . 1 . . . . . . . . 5192 1 147 . 1 1 21 21 ARG HB2 H 1 2.00 . . 2 . . . . . . . . 5192 1 148 . 1 1 21 21 ARG HB3 H 1 2.05 . . 2 . . . . . . . . 5192 1 149 . 1 1 21 21 ARG HG2 H 1 1.89 . . 2 . . . . . . . . 5192 1 150 . 1 1 21 21 ARG HG3 H 1 1.55 . . 2 . . . . . . . . 5192 1 151 . 1 1 21 21 ARG HD2 H 1 3.23 . . 1 . . . . . . . . 5192 1 152 . 1 1 21 21 ARG HD3 H 1 3.23 . . 1 . . . . . . . . 5192 1 153 . 1 1 21 21 ARG HE H 1 7.45 . . 1 . . . . . . . . 5192 1 154 . 1 1 22 22 ASP H H 1 8.23 . . 1 . . . . . . . . 5192 1 155 . 1 1 22 22 ASP HA H 1 4.53 . . 1 . . . . . . . . 5192 1 156 . 1 1 22 22 ASP HB2 H 1 2.72 . . 2 . . . . . . . . 5192 1 157 . 1 1 22 22 ASP HB3 H 1 2.79 . . 2 . . . . . . . . 5192 1 158 . 1 1 23 23 TYR H H 1 8.26 . . 1 . . . . . . . . 5192 1 159 . 1 1 23 23 TYR HA H 1 4.27 . . 1 . . . . . . . . 5192 1 160 . 1 1 23 23 TYR HB2 H 1 3.21 . . 1 . . . . . . . . 5192 1 161 . 1 1 23 23 TYR HB3 H 1 3.21 . . 1 . . . . . . . . 5192 1 162 . 1 1 23 23 TYR HD1 H 1 7.01 . . 1 . . . . . . . . 5192 1 163 . 1 1 23 23 TYR HD2 H 1 7.01 . . 1 . . . . . . . . 5192 1 164 . 1 1 23 23 TYR HE1 H 1 6.68 . . 1 . . . . . . . . 5192 1 165 . 1 1 23 23 TYR HE2 H 1 6.68 . . 1 . . . . . . . . 5192 1 166 . 1 1 24 24 LEU H H 1 8.40 . . 1 . . . . . . . . 5192 1 167 . 1 1 24 24 LEU HA H 1 3.90 . . 1 . . . . . . . . 5192 1 168 . 1 1 24 24 LEU HB2 H 1 1.94 . . 1 . . . . . . . . 5192 1 169 . 1 1 24 24 LEU HB3 H 1 1.94 . . 1 . . . . . . . . 5192 1 170 . 1 1 24 24 LEU HG H 1 1.48 . . 1 . . . . . . . . 5192 1 171 . 1 1 24 24 LEU HD11 H 1 0.92 . . 1 . . . . . . . . 5192 1 172 . 1 1 24 24 LEU HD12 H 1 0.92 . . 1 . . . . . . . . 5192 1 173 . 1 1 24 24 LEU HD13 H 1 0.92 . . 1 . . . . . . . . 5192 1 174 . 1 1 24 24 LEU HD21 H 1 0.92 . . 1 . . . . . . . . 5192 1 175 . 1 1 24 24 LEU HD22 H 1 0.92 . . 1 . . . . . . . . 5192 1 176 . 1 1 24 24 LEU HD23 H 1 0.92 . . 1 . . . . . . . . 5192 1 177 . 1 1 25 25 ARG H H 1 8.12 . . 1 . . . . . . . . 5192 1 178 . 1 1 25 25 ARG HA H 1 4.07 . . 1 . . . . . . . . 5192 1 179 . 1 1 25 25 ARG HB2 H 1 2.16 . . 2 . . . . . . . . 5192 1 180 . 1 1 25 25 ARG HB3 H 1 1.81 . . 2 . . . . . . . . 5192 1 181 . 1 1 25 25 ARG HG2 H 1 1.61 . . 1 . . . . . . . . 5192 1 182 . 1 1 25 25 ARG HG3 H 1 1.61 . . 1 . . . . . . . . 5192 1 183 . 1 1 25 25 ARG HD2 H 1 3.29 . . 2 . . . . . . . . 5192 1 184 . 1 1 25 25 ARG HD3 H 1 3.18 . . 2 . . . . . . . . 5192 1 185 . 1 1 25 25 ARG HE H 1 7.60 . . 1 . . . . . . . . 5192 1 186 . 1 1 26 26 GLN H H 1 8.08 . . 1 . . . . . . . . 5192 1 187 . 1 1 26 26 GLN HA H 1 4.00 . . 1 . . . . . . . . 5192 1 188 . 1 1 26 26 GLN HB2 H 1 2.24 . . 2 . . . . . . . . 5192 1 189 . 1 1 26 26 GLN HB3 H 1 2.11 . . 2 . . . . . . . . 5192 1 190 . 1 1 26 26 GLN HG2 H 1 2.57 . . 2 . . . . . . . . 5192 1 191 . 1 1 26 26 GLN HG3 H 1 2.29 . . 2 . . . . . . . . 5192 1 192 . 1 1 26 26 GLN HE21 H 1 7.31 . . 2 . . . . . . . . 5192 1 193 . 1 1 26 26 GLN HE22 H 1 6.73 . . 2 . . . . . . . . 5192 1 194 . 1 1 27 27 ILE H H 1 8.19 . . 1 . . . . . . . . 5192 1 195 . 1 1 27 27 ILE HA H 1 3.74 . . 1 . . . . . . . . 5192 1 196 . 1 1 27 27 ILE HB H 1 1.80 . . 1 . . . . . . . . 5192 1 197 . 1 1 27 27 ILE HG12 H 1 1.25 . . 2 . . . . . . . . 5192 1 198 . 1 1 27 27 ILE HG13 H 1 1.00 . . 2 . . . . . . . . 5192 1 199 . 1 1 27 27 ILE HG21 H 1 0.81 . . 1 . . . . . . . . 5192 1 200 . 1 1 27 27 ILE HG22 H 1 0.81 . . 1 . . . . . . . . 5192 1 201 . 1 1 27 27 ILE HG23 H 1 0.81 . . 1 . . . . . . . . 5192 1 202 . 1 1 27 27 ILE HD11 H 1 0.58 . . 1 . . . . . . . . 5192 1 203 . 1 1 27 27 ILE HD12 H 1 0.58 . . 1 . . . . . . . . 5192 1 204 . 1 1 27 27 ILE HD13 H 1 0.58 . . 1 . . . . . . . . 5192 1 205 . 1 1 28 28 ASN H H 1 8.15 . . 1 . . . . . . . . 5192 1 206 . 1 1 28 28 ASN HA H 1 4.58 . . 1 . . . . . . . . 5192 1 207 . 1 1 28 28 ASN HB2 H 1 2.77 . . 2 . . . . . . . . 5192 1 208 . 1 1 28 28 ASN HB3 H 1 2.98 . . 2 . . . . . . . . 5192 1 209 . 1 1 28 28 ASN HD21 H 1 7.64 . . 2 . . . . . . . . 5192 1 210 . 1 1 28 28 ASN HD22 H 1 6.90 . . 2 . . . . . . . . 5192 1 211 . 1 1 29 29 GLU H H 1 8.41 . . 1 . . . . . . . . 5192 1 212 . 1 1 29 29 GLU HA H 1 4.04 . . 1 . . . . . . . . 5192 1 213 . 1 1 29 29 GLU HB2 H 1 2.21 . . 2 . . . . . . . . 5192 1 214 . 1 1 29 29 GLU HB3 H 1 2.07 . . 2 . . . . . . . . 5192 1 215 . 1 1 29 29 GLU HG2 H 1 2.52 . . 2 . . . . . . . . 5192 1 216 . 1 1 29 29 GLU HG3 H 1 2.28 . . 2 . . . . . . . . 5192 1 217 . 1 1 30 30 TYR H H 1 8.09 . . 1 . . . . . . . . 5192 1 218 . 1 1 30 30 TYR HA H 1 3.90 . . 1 . . . . . . . . 5192 1 219 . 1 1 30 30 TYR HB2 H 1 3.06 . . 1 . . . . . . . . 5192 1 220 . 1 1 30 30 TYR HB3 H 1 3.06 . . 1 . . . . . . . . 5192 1 221 . 1 1 30 30 TYR HD1 H 1 6.60 . . 1 . . . . . . . . 5192 1 222 . 1 1 30 30 TYR HD2 H 1 6.60 . . 1 . . . . . . . . 5192 1 223 . 1 1 30 30 TYR HE1 H 1 6.54 . . 1 . . . . . . . . 5192 1 224 . 1 1 30 30 TYR HE2 H 1 6.54 . . 1 . . . . . . . . 5192 1 225 . 1 1 31 31 PHE H H 1 8.26 . . 1 . . . . . . . . 5192 1 226 . 1 1 31 31 PHE HA H 1 4.17 . . 1 . . . . . . . . 5192 1 227 . 1 1 31 31 PHE HB2 H 1 3.22 . . 2 . . . . . . . . 5192 1 228 . 1 1 31 31 PHE HB3 H 1 3.10 . . 2 . . . . . . . . 5192 1 229 . 1 1 31 31 PHE HD1 H 1 7.38 . . 1 . . . . . . . . 5192 1 230 . 1 1 31 31 PHE HD2 H 1 7.38 . . 1 . . . . . . . . 5192 1 231 . 1 1 31 31 PHE HE1 H 1 7.31 . . 1 . . . . . . . . 5192 1 232 . 1 1 31 31 PHE HE2 H 1 7.31 . . 1 . . . . . . . . 5192 1 233 . 1 1 31 31 PHE HZ H 1 7.28 . . 1 . . . . . . . . 5192 1 234 . 1 1 32 32 ALA H H 1 8.03 . . 1 . . . . . . . . 5192 1 235 . 1 1 32 32 ALA HA H 1 4.12 . . 1 . . . . . . . . 5192 1 236 . 1 1 32 32 ALA HB1 H 1 1.54 . . 1 . . . . . . . . 5192 1 237 . 1 1 32 32 ALA HB2 H 1 1.54 . . 1 . . . . . . . . 5192 1 238 . 1 1 32 32 ALA HB3 H 1 1.54 . . 1 . . . . . . . . 5192 1 239 . 1 1 33 33 ILE H H 1 7.86 . . 1 . . . . . . . . 5192 1 240 . 1 1 33 33 ILE HA H 1 3.87 . . 1 . . . . . . . . 5192 1 241 . 1 1 33 33 ILE HB H 1 1.95 . . 1 . . . . . . . . 5192 1 242 . 1 1 33 33 ILE HG12 H 1 1.72 . . 2 . . . . . . . . 5192 1 243 . 1 1 33 33 ILE HG13 H 1 1.19 . . 2 . . . . . . . . 5192 1 244 . 1 1 33 33 ILE HG21 H 1 0.86 . . 1 . . . . . . . . 5192 1 245 . 1 1 33 33 ILE HG22 H 1 0.86 . . 1 . . . . . . . . 5192 1 246 . 1 1 33 33 ILE HG23 H 1 0.86 . . 1 . . . . . . . . 5192 1 247 . 1 1 33 33 ILE HD11 H 1 0.86 . . 1 . . . . . . . . 5192 1 248 . 1 1 33 33 ILE HD12 H 1 0.86 . . 1 . . . . . . . . 5192 1 249 . 1 1 33 33 ILE HD13 H 1 0.86 . . 1 . . . . . . . . 5192 1 250 . 1 1 34 34 ILE H H 1 7.74 . . 1 . . . . . . . . 5192 1 251 . 1 1 34 34 ILE HA H 1 4.05 . . 1 . . . . . . . . 5192 1 252 . 1 1 34 34 ILE HB H 1 1.80 . . 1 . . . . . . . . 5192 1 253 . 1 1 34 34 ILE HG12 H 1 1.20 . . 2 . . . . . . . . 5192 1 254 . 1 1 34 34 ILE HG13 H 1 1.10 . . 2 . . . . . . . . 5192 1 255 . 1 1 34 34 ILE HG21 H 1 0.70 . . 1 . . . . . . . . 5192 1 256 . 1 1 34 34 ILE HG22 H 1 0.70 . . 1 . . . . . . . . 5192 1 257 . 1 1 34 34 ILE HG23 H 1 0.70 . . 1 . . . . . . . . 5192 1 258 . 1 1 34 34 ILE HD11 H 1 0.67 . . 1 . . . . . . . . 5192 1 259 . 1 1 34 34 ILE HD12 H 1 0.67 . . 1 . . . . . . . . 5192 1 260 . 1 1 34 34 ILE HD13 H 1 0.67 . . 1 . . . . . . . . 5192 1 261 . 1 1 35 35 GLY H H 1 7.87 . . 1 . . . . . . . . 5192 1 262 . 1 1 35 35 GLY HA2 H 1 3.82 . . 2 . . . . . . . . 5192 1 263 . 1 1 35 35 GLY HA3 H 1 3.93 . . 2 . . . . . . . . 5192 1 264 . 1 1 36 36 ARG H H 1 7.67 . . 1 . . . . . . . . 5192 1 265 . 1 1 36 36 ARG HA H 1 4.57 . . 1 . . . . . . . . 5192 1 266 . 1 1 36 36 ARG HB2 H 1 1.82 . . 2 . . . . . . . . 5192 1 267 . 1 1 36 36 ARG HB3 H 1 1.72 . . 2 . . . . . . . . 5192 1 268 . 1 1 36 36 ARG HG2 H 1 1.67 . . 2 . . . . . . . . 5192 1 269 . 1 1 36 36 ARG HG3 H 1 1.65 . . 2 . . . . . . . . 5192 1 270 . 1 1 36 36 ARG HD2 H 1 3.14 . . 1 . . . . . . . . 5192 1 271 . 1 1 36 36 ARG HD3 H 1 3.14 . . 1 . . . . . . . . 5192 1 272 . 1 1 36 36 ARG HE H 1 7.34 . . 1 . . . . . . . . 5192 1 273 . 1 1 37 37 PRO HA H 1 4.33 . . 1 . . . . . . . . 5192 1 274 . 1 1 37 37 PRO HB2 H 1 2.20 . . 2 . . . . . . . . 5192 1 275 . 1 1 37 37 PRO HB3 H 1 1.77 . . 2 . . . . . . . . 5192 1 276 . 1 1 37 37 PRO HG2 H 1 2.00 . . 2 . . . . . . . . 5192 1 277 . 1 1 37 37 PRO HG3 H 1 1.95 . . 2 . . . . . . . . 5192 1 278 . 1 1 37 37 PRO HD2 H 1 3.58 . . 2 . . . . . . . . 5192 1 279 . 1 1 37 37 PRO HD3 H 1 3.76 . . 2 . . . . . . . . 5192 1 280 . 1 1 38 38 ARG H H 1 8.31 . . 1 . . . . . . . . 5192 1 281 . 1 1 38 38 ARG HA H 1 4.20 . . 1 . . . . . . . . 5192 1 282 . 1 1 38 38 ARG HB2 H 1 1.64 . . 2 . . . . . . . . 5192 1 283 . 1 1 38 38 ARG HB3 H 1 1.70 . . 2 . . . . . . . . 5192 1 284 . 1 1 38 38 ARG HG2 H 1 1.50 . . 2 . . . . . . . . 5192 1 285 . 1 1 38 38 ARG HG3 H 1 1.54 . . 2 . . . . . . . . 5192 1 286 . 1 1 38 38 ARG HD2 H 1 3.10 . . 1 . . . . . . . . 5192 1 287 . 1 1 38 38 ARG HD3 H 1 3.10 . . 1 . . . . . . . . 5192 1 288 . 1 1 38 38 ARG HE H 1 7.30 . . 1 . . . . . . . . 5192 1 289 . 1 1 39 39 PHE H H 1 7.96 . . 1 . . . . . . . . 5192 1 290 . 1 1 39 39 PHE HA H 1 4.59 . . 1 . . . . . . . . 5192 1 291 . 1 1 39 39 PHE HB2 H 1 2.94 . . 2 . . . . . . . . 5192 1 292 . 1 1 39 39 PHE HB3 H 1 3.13 . . 2 . . . . . . . . 5192 1 293 . 1 1 40 40 NH2 HN1 H 1 7.54 . . 2 . . . . . . . . 5192 1 294 . 1 1 40 40 NH2 HN2 H 1 7.05 . . 2 . . . . . . . . 5192 1 stop_ save_