################################### # 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 4990 _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 DQF-COSY 1 $sample_1 . 4990 1 2 NOESY 1 $sample_1 . 4990 1 3 TOCSY 1 $sample_1 . 4990 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.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 3 3 GLY H H 1 8.42 0.03 . 1 . . . . . . . . . 4990 1 2 . 1 1 3 3 GLY HA2 H 1 3.84 0.03 . 1 . . . . . . . . . 4990 1 3 . 1 1 3 3 GLY HA3 H 1 3.84 0.03 . 1 . . . . . . . . . 4990 1 4 . 1 1 4 4 HIS H H 1 8.25 0.03 . 1 . . . . . . . . . 4990 1 5 . 1 1 4 4 HIS HA H 1 4.46 0.03 . 1 . . . . . . . . . 4990 1 6 . 1 1 4 4 HIS HB2 H 1 2.86 0.03 . 1 . . . . . . . . . 4990 1 7 . 1 1 4 4 HIS HB3 H 1 2.86 0.03 . 1 . . . . . . . . . 4990 1 8 . 1 1 4 4 HIS HD2 H 1 7.35 0.03 . 1 . . . . . . . . . 4990 1 9 . 1 1 4 4 HIS HE1 H 1 8.69 0.03 . 1 . . . . . . . . . 4990 1 10 . 1 1 5 5 PHE H H 1 8.40 0.03 . 1 . . . . . . . . . 4990 1 11 . 1 1 5 5 PHE HA H 1 5.43 0.03 . 1 . . . . . . . . . 4990 1 12 . 1 1 5 5 PHE HB2 H 1 2.85 0.03 . 1 . . . . . . . . . 4990 1 13 . 1 1 5 5 PHE HB3 H 1 3.02 0.03 . 1 . . . . . . . . . 4990 1 14 . 1 1 5 5 PHE HD1 H 1 7.03 0.03 . 1 . . . . . . . . . 4990 1 15 . 1 1 5 5 PHE HD2 H 1 7.03 0.03 . 1 . . . . . . . . . 4990 1 16 . 1 1 5 5 PHE HE1 H 1 7.16 0.03 . 1 . . . . . . . . . 4990 1 17 . 1 1 5 5 PHE HE2 H 1 7.16 0.03 . 1 . . . . . . . . . 4990 1 18 . 1 1 6 6 SER H H 1 9.24 0.03 . 1 . . . . . . . . . 4990 1 19 . 1 1 6 6 SER HA H 1 4.83 0.03 . 1 . . . . . . . . . 4990 1 20 . 1 1 6 6 SER HB2 H 1 3.76 0.03 . 1 . . . . . . . . . 4990 1 21 . 1 1 6 6 SER HB3 H 1 4.02 0.03 . 1 . . . . . . . . . 4990 1 22 . 1 1 7 7 ARG H H 1 8.43 0.03 . 1 . . . . . . . . . 4990 1 23 . 1 1 7 7 ARG HA H 1 4.34 0.03 . 1 . . . . . . . . . 4990 1 24 . 1 1 7 7 ARG HB2 H 1 1.68 0.03 . 1 . . . . . . . . . 4990 1 25 . 1 1 7 7 ARG HB3 H 1 1.68 0.03 . 1 . . . . . . . . . 4990 1 26 . 1 1 7 7 ARG HG2 H 1 1.59 0.03 . 1 . . . . . . . . . 4990 1 27 . 1 1 7 7 ARG HG3 H 1 1.59 0.03 . 1 . . . . . . . . . 4990 1 28 . 1 1 8 8 CYS H H 1 9.35 0.03 . 1 . . . . . . . . . 4990 1 29 . 1 1 8 8 CYS HA H 1 3.95 0.03 . 1 . . . . . . . . . 4990 1 30 . 1 1 8 8 CYS HB2 H 1 2.90 0.03 . 1 . . . . . . . . . 4990 1 31 . 1 1 8 8 CYS HB3 H 1 3.12 0.03 . 1 . . . . . . . . . 4990 1 32 . 1 1 9 9 PRO HA H 1 3.92 0.03 . 1 . . . . . . . . . 4990 1 33 . 1 1 9 9 PRO HB2 H 1 1.50 0.03 . 1 . . . . . . . . . 4990 1 34 . 1 1 9 9 PRO HB3 H 1 1.82 0.03 . 1 . . . . . . . . . 4990 1 35 . 1 1 9 9 PRO HG2 H 1 1.00 0.03 . 1 . . . . . . . . . 4990 1 36 . 1 1 9 9 PRO HG3 H 1 1.00 0.03 . 1 . . . . . . . . . 4990 1 37 . 1 1 9 9 PRO HD2 H 1 2.83 0.03 . 1 . . . . . . . . . 4990 1 38 . 1 1 9 9 PRO HD3 H 1 2.83 0.03 . 1 . . . . . . . . . 4990 1 39 . 1 1 10 10 LYS H H 1 8.52 0.03 . 1 . . . . . . . . . 4990 1 40 . 1 1 10 10 LYS HA H 1 3.98 0.03 . 1 . . . . . . . . . 4990 1 41 . 1 1 10 10 LYS HB2 H 1 1.68 0.03 . 1 . . . . . . . . . 4990 1 42 . 1 1 10 10 LYS HB3 H 1 1.68 0.03 . 1 . . . . . . . . . 4990 1 43 . 1 1 11 11 GLN H H 1 9.11 0.03 . 1 . . . . . . . . . 4990 1 44 . 1 1 11 11 GLN HA H 1 4.00 0.03 . 1 . . . . . . . . . 4990 1 45 . 1 1 11 11 GLN HB2 H 1 1.45 0.03 . 1 . . . . . . . . . 4990 1 46 . 1 1 11 11 GLN HB3 H 1 1.45 0.03 . 1 . . . . . . . . . 4990 1 47 . 1 1 11 11 GLN HG2 H 1 1.67 0.03 . 1 . . . . . . . . . 4990 1 48 . 1 1 11 11 GLN HG3 H 1 1.67 0.03 . 1 . . . . . . . . . 4990 1 49 . 1 1 12 12 TYR H H 1 7.90 0.03 . 1 . . . . . . . . . 4990 1 50 . 1 1 12 12 TYR HA H 1 4.79 0.03 . 1 . . . . . . . . . 4990 1 51 . 1 1 12 12 TYR HB2 H 1 2.31 0.03 . 1 . . . . . . . . . 4990 1 52 . 1 1 12 12 TYR HB3 H 1 3.49 0.03 . 1 . . . . . . . . . 4990 1 53 . 1 1 12 12 TYR HD1 H 1 6.64 0.03 . 1 . . . . . . . . . 4990 1 54 . 1 1 12 12 TYR HD2 H 1 6.64 0.03 . 1 . . . . . . . . . 4990 1 55 . 1 1 12 12 TYR HE1 H 1 6.64 0.03 . 1 . . . . . . . . . 4990 1 56 . 1 1 12 12 TYR HE2 H 1 6.64 0.03 . 1 . . . . . . . . . 4990 1 57 . 1 1 13 13 LYS H H 1 7.37 0.03 . 1 . . . . . . . . . 4990 1 58 . 1 1 13 13 LYS HA H 1 3.89 0.03 . 1 . . . . . . . . . 4990 1 59 . 1 1 13 13 LYS HB2 H 1 1.81 0.03 . 1 . . . . . . . . . 4990 1 60 . 1 1 13 13 LYS HB3 H 1 1.81 0.03 . 1 . . . . . . . . . 4990 1 61 . 1 1 13 13 LYS HG2 H 1 0.94 0.03 . 1 . . . . . . . . . 4990 1 62 . 1 1 13 13 LYS HG3 H 1 0.94 0.03 . 1 . . . . . . . . . 4990 1 63 . 1 1 13 13 LYS HD2 H 1 1.43 0.03 . 1 . . . . . . . . . 4990 1 64 . 1 1 13 13 LYS HD3 H 1 1.43 0.03 . 1 . . . . . . . . . 4990 1 65 . 1 1 14 14 HIS H H 1 8.75 0.03 . 1 . . . . . . . . . 4990 1 66 . 1 1 14 14 HIS HA H 1 4.97 0.03 . 1 . . . . . . . . . 4990 1 67 . 1 1 14 14 HIS HB2 H 1 2.87 0.03 . 1 . . . . . . . . . 4990 1 68 . 1 1 14 14 HIS HB3 H 1 3.46 0.03 . 1 . . . . . . . . . 4990 1 69 . 1 1 14 14 HIS HD2 H 1 6.78 0.03 . 1 . . . . . . . . . 4990 1 70 . 1 1 14 14 HIS HE1 H 1 8.58 0.03 . 1 . . . . . . . . . 4990 1 71 . 1 1 15 15 TYR H H 1 7.68 0.03 . 1 . . . . . . . . . 4990 1 72 . 1 1 15 15 TYR HA H 1 4.10 0.03 . 1 . . . . . . . . . 4990 1 73 . 1 1 15 15 TYR HB2 H 1 2.90 0.03 . 1 . . . . . . . . . 4990 1 74 . 1 1 15 15 TYR HB3 H 1 3.27 0.03 . 1 . . . . . . . . . 4990 1 75 . 1 1 15 15 TYR HD1 H 1 7.07 0.03 . 1 . . . . . . . . . 4990 1 76 . 1 1 15 15 TYR HD2 H 1 7.07 0.03 . 1 . . . . . . . . . 4990 1 77 . 1 1 15 15 TYR HE1 H 1 7.43 0.03 . 1 . . . . . . . . . 4990 1 78 . 1 1 15 15 TYR HE2 H 1 7.43 0.03 . 1 . . . . . . . . . 4990 1 79 . 1 1 16 16 CYS H H 1 8.81 0.03 . 1 . . . . . . . . . 4990 1 80 . 1 1 16 16 CYS HA H 1 4.26 0.03 . 1 . . . . . . . . . 4990 1 81 . 1 1 16 16 CYS HB2 H 1 1.90 0.03 . 1 . . . . . . . . . 4990 1 82 . 1 1 16 16 CYS HB3 H 1 2.46 0.03 . 1 . . . . . . . . . 4990 1 83 . 1 1 17 17 ILE H H 1 8.51 0.03 . 1 . . . . . . . . . 4990 1 84 . 1 1 17 17 ILE HA H 1 3.84 0.03 . 1 . . . . . . . . . 4990 1 85 . 1 1 17 17 ILE HB H 1 1.64 0.03 . 1 . . . . . . . . . 4990 1 86 . 1 1 17 17 ILE HG21 H 1 0.77 0.03 . 1 . . . . . . . . . 4990 1 87 . 1 1 17 17 ILE HG22 H 1 0.77 0.03 . 1 . . . . . . . . . 4990 1 88 . 1 1 17 17 ILE HG23 H 1 0.77 0.03 . 1 . . . . . . . . . 4990 1 89 . 1 1 17 17 ILE HD11 H 1 0.58 0.03 . 1 . . . . . . . . . 4990 1 90 . 1 1 17 17 ILE HD12 H 1 0.58 0.03 . 1 . . . . . . . . . 4990 1 91 . 1 1 17 17 ILE HD13 H 1 0.58 0.03 . 1 . . . . . . . . . 4990 1 92 . 1 1 18 18 LYS H H 1 6.82 0.03 . 1 . . . . . . . . . 4990 1 93 . 1 1 18 18 LYS HA H 1 4.32 0.03 . 1 . . . . . . . . . 4990 1 94 . 1 1 18 18 LYS HB2 H 1 1.62 0.03 . 1 . . . . . . . . . 4990 1 95 . 1 1 18 18 LYS HB3 H 1 1.62 0.03 . 1 . . . . . . . . . 4990 1 96 . 1 1 18 18 LYS HG2 H 1 0.82 0.03 . 1 . . . . . . . . . 4990 1 97 . 1 1 18 18 LYS HG3 H 1 0.82 0.03 . 1 . . . . . . . . . 4990 1 98 . 1 1 18 18 LYS HD2 H 1 1.23 0.03 . 1 . . . . . . . . . 4990 1 99 . 1 1 18 18 LYS HD3 H 1 1.23 0.03 . 1 . . . . . . . . . 4990 1 100 . 1 1 19 19 GLY H H 1 6.92 0.03 . 1 . . . . . . . . . 4990 1 101 . 1 1 19 19 GLY HA2 H 1 3.91 0.03 . 1 . . . . . . . . . 4990 1 102 . 1 1 19 19 GLY HA3 H 1 4.11 0.03 . 1 . . . . . . . . . 4990 1 103 . 1 1 20 20 ARG H H 1 8.28 0.03 . 1 . . . . . . . . . 4990 1 104 . 1 1 20 20 ARG HA H 1 4.54 0.03 . 1 . . . . . . . . . 4990 1 105 . 1 1 20 20 ARG HB2 H 1 1.65 0.03 . 1 . . . . . . . . . 4990 1 106 . 1 1 20 20 ARG HB3 H 1 1.65 0.03 . 1 . . . . . . . . . 4990 1 107 . 1 1 20 20 ARG HG2 H 1 1.54 0.03 . 1 . . . . . . . . . 4990 1 108 . 1 1 20 20 ARG HG3 H 1 1.54 0.03 . 1 . . . . . . . . . 4990 1 109 . 1 1 20 20 ARG HD2 H 1 3.08 0.03 . 1 . . . . . . . . . 4990 1 110 . 1 1 20 20 ARG HD3 H 1 3.08 0.03 . 1 . . . . . . . . . 4990 1 111 . 1 1 21 21 CYS H H 1 8.92 0.03 . 1 . . . . . . . . . 4990 1 112 . 1 1 21 21 CYS HA H 1 5.18 0.03 . 1 . . . . . . . . . 4990 1 113 . 1 1 21 21 CYS HB2 H 1 3.18 0.03 . 1 . . . . . . . . . 4990 1 114 . 1 1 21 21 CYS HB3 H 1 3.38 0.03 . 1 . . . . . . . . . 4990 1 115 . 1 1 22 22 ARG H H 1 9.43 0.03 . 1 . . . . . . . . . 4990 1 116 . 1 1 22 22 ARG HA H 1 4.65 0.03 . 1 . . . . . . . . . 4990 1 117 . 1 1 22 22 ARG HB2 H 1 1.40 0.03 . 1 . . . . . . . . . 4990 1 118 . 1 1 22 22 ARG HB3 H 1 1.40 0.03 . 1 . . . . . . . . . 4990 1 119 . 1 1 22 22 ARG HG2 H 1 1.21 0.03 . 1 . . . . . . . . . 4990 1 120 . 1 1 22 22 ARG HG3 H 1 1.21 0.03 . 1 . . . . . . . . . 4990 1 121 . 1 1 23 23 PHE H H 1 9.05 0.03 . 1 . . . . . . . . . 4990 1 122 . 1 1 23 23 PHE HA H 1 4.86 0.03 . 1 . . . . . . . . . 4990 1 123 . 1 1 23 23 PHE HB2 H 1 2.49 0.03 . 1 . . . . . . . . . 4990 1 124 . 1 1 23 23 PHE HB3 H 1 2.83 0.03 . 1 . . . . . . . . . 4990 1 125 . 1 1 23 23 PHE HD1 H 1 6.69 0.03 . 1 . . . . . . . . . 4990 1 126 . 1 1 23 23 PHE HD2 H 1 6.69 0.03 . 1 . . . . . . . . . 4990 1 127 . 1 1 23 23 PHE HE1 H 1 7.02 0.03 . 1 . . . . . . . . . 4990 1 128 . 1 1 23 23 PHE HE2 H 1 7.02 0.03 . 1 . . . . . . . . . 4990 1 129 . 1 1 24 24 VAL H H 1 8.04 0.03 . 1 . . . . . . . . . 4990 1 130 . 1 1 24 24 VAL HA H 1 4.00 0.03 . 1 . . . . . . . . . 4990 1 131 . 1 1 24 24 VAL HB H 1 1.91 0.03 . 1 . . . . . . . . . 4990 1 132 . 1 1 24 24 VAL HG11 H 1 0.81 0.03 . 1 . . . . . . . . . 4990 1 133 . 1 1 24 24 VAL HG12 H 1 0.81 0.03 . 1 . . . . . . . . . 4990 1 134 . 1 1 24 24 VAL HG13 H 1 0.81 0.03 . 1 . . . . . . . . . 4990 1 135 . 1 1 24 24 VAL HG21 H 1 0.69 0.03 . 1 . . . . . . . . . 4990 1 136 . 1 1 24 24 VAL HG22 H 1 0.69 0.03 . 1 . . . . . . . . . 4990 1 137 . 1 1 24 24 VAL HG23 H 1 0.69 0.03 . 1 . . . . . . . . . 4990 1 138 . 1 1 25 25 VAL H H 1 8.00 0.03 . 1 . . . . . . . . . 4990 1 139 . 1 1 25 25 VAL HA H 1 3.16 0.03 . 1 . . . . . . . . . 4990 1 140 . 1 1 25 25 VAL HB H 1 1.81 0.03 . 1 . . . . . . . . . 4990 1 141 . 1 1 25 25 VAL HG11 H 1 0.81 0.03 . 1 . . . . . . . . . 4990 1 142 . 1 1 25 25 VAL HG12 H 1 0.81 0.03 . 1 . . . . . . . . . 4990 1 143 . 1 1 25 25 VAL HG13 H 1 0.81 0.03 . 1 . . . . . . . . . 4990 1 144 . 1 1 25 25 VAL HG21 H 1 0.69 0.03 . 1 . . . . . . . . . 4990 1 145 . 1 1 25 25 VAL HG22 H 1 0.69 0.03 . 1 . . . . . . . . . 4990 1 146 . 1 1 25 25 VAL HG23 H 1 0.69 0.03 . 1 . . . . . . . . . 4990 1 147 . 1 1 26 26 ALA H H 1 8.97 0.03 . 1 . . . . . . . . . 4990 1 148 . 1 1 26 26 ALA HA H 1 3.98 0.03 . 1 . . . . . . . . . 4990 1 149 . 1 1 26 26 ALA HB1 H 1 1.25 0.03 . 1 . . . . . . . . . 4990 1 150 . 1 1 26 26 ALA HB2 H 1 1.25 0.03 . 1 . . . . . . . . . 4990 1 151 . 1 1 26 26 ALA HB3 H 1 1.25 0.03 . 1 . . . . . . . . . 4990 1 152 . 1 1 27 27 GLU H H 1 6.34 0.03 . 1 . . . . . . . . . 4990 1 153 . 1 1 27 27 GLU HA H 1 4.31 0.03 . 1 . . . . . . . . . 4990 1 154 . 1 1 27 27 GLU HB2 H 1 1.44 0.03 . 1 . . . . . . . . . 4990 1 155 . 1 1 27 27 GLU HB3 H 1 1.44 0.03 . 1 . . . . . . . . . 4990 1 156 . 1 1 27 27 GLU HG2 H 1 2.15 0.03 . 1 . . . . . . . . . 4990 1 157 . 1 1 27 27 GLU HG3 H 1 2.15 0.03 . 1 . . . . . . . . . 4990 1 158 . 1 1 28 28 GLN H H 1 7.83 0.03 . 1 . . . . . . . . . 4990 1 159 . 1 1 28 28 GLN HA H 1 3.09 0.03 . 1 . . . . . . . . . 4990 1 160 . 1 1 28 28 GLN HB2 H 1 1.24 0.03 . 1 . . . . . . . . . 4990 1 161 . 1 1 28 28 GLN HB3 H 1 1.24 0.03 . 1 . . . . . . . . . 4990 1 162 . 1 1 28 28 GLN HG2 H 1 2.19 0.03 . 1 . . . . . . . . . 4990 1 163 . 1 1 28 28 GLN HG3 H 1 2.19 0.03 . 1 . . . . . . . . . 4990 1 164 . 1 1 29 29 THR H H 1 6.45 0.03 . 1 . . . . . . . . . 4990 1 165 . 1 1 29 29 THR HA H 1 4.63 0.03 . 1 . . . . . . . . . 4990 1 166 . 1 1 29 29 THR HB H 1 3.67 0.03 . 1 . . . . . . . . . 4990 1 167 . 1 1 29 29 THR HG21 H 1 0.97 0.03 . 1 . . . . . . . . . 4990 1 168 . 1 1 29 29 THR HG22 H 1 0.97 0.03 . 1 . . . . . . . . . 4990 1 169 . 1 1 29 29 THR HG23 H 1 0.97 0.03 . 1 . . . . . . . . . 4990 1 170 . 1 1 30 30 PRO HA H 1 3.87 0.03 . 1 . . . . . . . . . 4990 1 171 . 1 1 30 30 PRO HB2 H 1 1.74 0.03 . 1 . . . . . . . . . 4990 1 172 . 1 1 30 30 PRO HB3 H 1 1.78 0.03 . 1 . . . . . . . . . 4990 1 173 . 1 1 30 30 PRO HG2 H 1 1.35 0.03 . 1 . . . . . . . . . 4990 1 174 . 1 1 30 30 PRO HG3 H 1 1.60 0.03 . 1 . . . . . . . . . 4990 1 175 . 1 1 30 30 PRO HD2 H 1 2.80 0.03 . 1 . . . . . . . . . 4990 1 176 . 1 1 30 30 PRO HD3 H 1 2.80 0.03 . 1 . . . . . . . . . 4990 1 177 . 1 1 31 31 SER H H 1 8.57 0.03 . 1 . . . . . . . . . 4990 1 178 . 1 1 31 31 SER HA H 1 4.79 0.03 . 1 . . . . . . . . . 4990 1 179 . 1 1 31 31 SER HB2 H 1 3.74 0.03 . 1 . . . . . . . . . 4990 1 180 . 1 1 31 31 SER HB3 H 1 3.74 0.03 . 1 . . . . . . . . . 4990 1 181 . 1 1 32 32 CYS H H 1 8.85 0.03 . 1 . . . . . . . . . 4990 1 182 . 1 1 32 32 CYS HA H 1 5.49 0.03 . 1 . . . . . . . . . 4990 1 183 . 1 1 32 32 CYS HB2 H 1 2.47 0.03 . 1 . . . . . . . . . 4990 1 184 . 1 1 32 32 CYS HB3 H 1 2.66 0.03 . 1 . . . . . . . . . 4990 1 185 . 1 1 33 33 VAL H H 1 9.01 0.03 . 1 . . . . . . . . . 4990 1 186 . 1 1 33 33 VAL HA H 1 4.13 0.03 . 1 . . . . . . . . . 4990 1 187 . 1 1 33 33 VAL HB H 1 1.80 0.03 . 1 . . . . . . . . . 4990 1 188 . 1 1 33 33 VAL HG11 H 1 0.79 0.03 . 1 . . . . . . . . . 4990 1 189 . 1 1 33 33 VAL HG12 H 1 0.79 0.03 . 1 . . . . . . . . . 4990 1 190 . 1 1 33 33 VAL HG13 H 1 0.79 0.03 . 1 . . . . . . . . . 4990 1 191 . 1 1 33 33 VAL HG21 H 1 0.67 0.03 . 1 . . . . . . . . . 4990 1 192 . 1 1 33 33 VAL HG22 H 1 0.67 0.03 . 1 . . . . . . . . . 4990 1 193 . 1 1 33 33 VAL HG23 H 1 0.67 0.03 . 1 . . . . . . . . . 4990 1 194 . 1 1 34 34 CYS H H 1 9.02 0.03 . 1 . . . . . . . . . 4990 1 195 . 1 1 34 34 CYS HA H 1 4.95 0.03 . 1 . . . . . . . . . 4990 1 196 . 1 1 34 34 CYS HB2 H 1 2.60 0.03 . 1 . . . . . . . . . 4990 1 197 . 1 1 34 34 CYS HB3 H 1 3.25 0.03 . 1 . . . . . . . . . 4990 1 198 . 1 1 35 35 ASP H H 1 8.76 0.03 . 1 . . . . . . . . . 4990 1 199 . 1 1 35 35 ASP HA H 1 4.44 0.03 . 1 . . . . . . . . . 4990 1 200 . 1 1 35 35 ASP HB2 H 1 2.33 0.03 . 1 . . . . . . . . . 4990 1 201 . 1 1 35 35 ASP HB3 H 1 2.86 0.03 . 1 . . . . . . . . . 4990 1 202 . 1 1 36 36 GLU H H 1 8.47 0.03 . 1 . . . . . . . . . 4990 1 203 . 1 1 36 36 GLU HA H 1 4.80 0.03 . 1 . . . . . . . . . 4990 1 204 . 1 1 36 36 GLU HB2 H 1 1.51 0.03 . 1 . . . . . . . . . 4990 1 205 . 1 1 36 36 GLU HB3 H 1 1.51 0.03 . 1 . . . . . . . . . 4990 1 206 . 1 1 36 36 GLU HG2 H 1 1.63 0.03 . 1 . . . . . . . . . 4990 1 207 . 1 1 36 36 GLU HG3 H 1 1.63 0.03 . 1 . . . . . . . . . 4990 1 208 . 1 1 37 37 GLY H H 1 8.51 0.03 . 1 . . . . . . . . . 4990 1 209 . 1 1 37 37 GLY HA2 H 1 3.28 0.03 . 1 . . . . . . . . . 4990 1 210 . 1 1 37 37 GLY HA3 H 1 3.28 0.03 . 1 . . . . . . . . . 4990 1 211 . 1 1 38 38 TYR H H 1 7.89 0.03 . 1 . . . . . . . . . 4990 1 212 . 1 1 38 38 TYR HA H 1 5.12 0.03 . 1 . . . . . . . . . 4990 1 213 . 1 1 38 38 TYR HB2 H 1 2.59 0.03 . 1 . . . . . . . . . 4990 1 214 . 1 1 38 38 TYR HB3 H 1 2.74 0.03 . 1 . . . . . . . . . 4990 1 215 . 1 1 38 38 TYR HD1 H 1 6.64 0.03 . 1 . . . . . . . . . 4990 1 216 . 1 1 38 38 TYR HD2 H 1 6.64 0.03 . 1 . . . . . . . . . 4990 1 217 . 1 1 38 38 TYR HE1 H 1 6.59 0.03 . 1 . . . . . . . . . 4990 1 218 . 1 1 38 38 TYR HE2 H 1 6.59 0.03 . 1 . . . . . . . . . 4990 1 219 . 1 1 39 39 ILE H H 1 9.11 0.03 . 1 . . . . . . . . . 4990 1 220 . 1 1 39 39 ILE HA H 1 4.67 0.03 . 1 . . . . . . . . . 4990 1 221 . 1 1 39 39 ILE HB H 1 1.76 0.03 . 1 . . . . . . . . . 4990 1 222 . 1 1 39 39 ILE HG12 H 1 1.18 0.03 . 1 . . . . . . . . . 4990 1 223 . 1 1 39 39 ILE HG13 H 1 1.18 0.03 . 1 . . . . . . . . . 4990 1 224 . 1 1 39 39 ILE HD11 H 1 0.70 0.03 . 1 . . . . . . . . . 4990 1 225 . 1 1 39 39 ILE HD12 H 1 0.70 0.03 . 1 . . . . . . . . . 4990 1 226 . 1 1 39 39 ILE HD13 H 1 0.70 0.03 . 1 . . . . . . . . . 4990 1 227 . 1 1 39 39 ILE HG21 H 1 0.67 0.03 . 1 . . . . . . . . . 4990 1 228 . 1 1 39 39 ILE HG22 H 1 0.67 0.03 . 1 . . . . . . . . . 4990 1 229 . 1 1 39 39 ILE HG23 H 1 0.67 0.03 . 1 . . . . . . . . . 4990 1 230 . 1 1 40 40 GLY H H 1 7.73 0.03 . 1 . . . . . . . . . 4990 1 231 . 1 1 40 40 GLY HA2 H 1 3.69 0.03 . 1 . . . . . . . . . 4990 1 232 . 1 1 40 40 GLY HA3 H 1 4.89 0.03 . 1 . . . . . . . . . 4990 1 233 . 1 1 41 41 ALA H H 1 9.05 0.03 . 1 . . . . . . . . . 4990 1 234 . 1 1 41 41 ALA HA H 1 4.02 0.03 . 1 . . . . . . . . . 4990 1 235 . 1 1 41 41 ALA HB1 H 1 1.43 0.03 . 1 . . . . . . . . . 4990 1 236 . 1 1 41 41 ALA HB2 H 1 1.43 0.03 . 1 . . . . . . . . . 4990 1 237 . 1 1 41 41 ALA HB3 H 1 1.43 0.03 . 1 . . . . . . . . . 4990 1 238 . 1 1 42 42 ARG H H 1 8.17 0.03 . 1 . . . . . . . . . 4990 1 239 . 1 1 42 42 ARG HA H 1 4.49 0.03 . 1 . . . . . . . . . 4990 1 240 . 1 1 42 42 ARG HB2 H 1 1.18 0.03 . 1 . . . . . . . . . 4990 1 241 . 1 1 42 42 ARG HB3 H 1 1.12 0.03 . 1 . . . . . . . . . 4990 1 242 . 1 1 42 42 ARG HG2 H 1 0.35 0.03 . 1 . . . . . . . . . 4990 1 243 . 1 1 42 42 ARG HG3 H 1 0.35 0.03 . 1 . . . . . . . . . 4990 1 244 . 1 1 43 43 CYS H H 1 7.91 0.03 . 1 . . . . . . . . . 4990 1 245 . 1 1 43 43 CYS HA H 1 3.80 0.03 . 1 . . . . . . . . . 4990 1 246 . 1 1 43 43 CYS HB2 H 1 2.37 0.03 . 1 . . . . . . . . . 4990 1 247 . 1 1 43 43 CYS HB3 H 1 2.77 0.03 . 1 . . . . . . . . . 4990 1 248 . 1 1 44 44 GLU H H 1 9.42 0.03 . 1 . . . . . . . . . 4990 1 249 . 1 1 44 44 GLU HA H 1 4.36 0.03 . 1 . . . . . . . . . 4990 1 250 . 1 1 44 44 GLU HB2 H 1 1.68 0.03 . 1 . . . . . . . . . 4990 1 251 . 1 1 44 44 GLU HB3 H 1 1.68 0.03 . 1 . . . . . . . . . 4990 1 252 . 1 1 44 44 GLU HG2 H 1 2.14 0.03 . 1 . . . . . . . . . 4990 1 253 . 1 1 44 44 GLU HG3 H 1 2.14 0.03 . 1 . . . . . . . . . 4990 1 254 . 1 1 45 45 ARG H H 1 8.47 0.03 . 1 . . . . . . . . . 4990 1 255 . 1 1 45 45 ARG HA H 1 4.77 0.03 . 1 . . . . . . . . . 4990 1 256 . 1 1 45 45 ARG HB2 H 1 1.57 0.03 . 1 . . . . . . . . . 4990 1 257 . 1 1 45 45 ARG HB3 H 1 1.57 0.03 . 1 . . . . . . . . . 4990 1 258 . 1 1 45 45 ARG HG2 H 1 1.49 0.03 . 1 . . . . . . . . . 4990 1 259 . 1 1 45 45 ARG HG3 H 1 1.49 0.03 . 1 . . . . . . . . . 4990 1 260 . 1 1 46 46 VAL H H 1 8.22 0.03 . 1 . . . . . . . . . 4990 1 261 . 1 1 46 46 VAL HA H 1 3.71 0.03 . 1 . . . . . . . . . 4990 1 262 . 1 1 46 46 VAL HB H 1 1.73 0.03 . 1 . . . . . . . . . 4990 1 263 . 1 1 46 46 VAL HG11 H 1 0.75 0.03 . 1 . . . . . . . . . 4990 1 264 . 1 1 46 46 VAL HG12 H 1 0.75 0.03 . 1 . . . . . . . . . 4990 1 265 . 1 1 46 46 VAL HG13 H 1 0.75 0.03 . 1 . . . . . . . . . 4990 1 266 . 1 1 46 46 VAL HG21 H 1 0.64 0.03 . 1 . . . . . . . . . 4990 1 267 . 1 1 46 46 VAL HG22 H 1 0.64 0.03 . 1 . . . . . . . . . 4990 1 268 . 1 1 46 46 VAL HG23 H 1 0.64 0.03 . 1 . . . . . . . . . 4990 1 269 . 1 1 47 47 ASP H H 1 8.08 0.03 . 1 . . . . . . . . . 4990 1 270 . 1 1 47 47 ASP HA H 1 4.36 0.03 . 1 . . . . . . . . . 4990 1 271 . 1 1 47 47 ASP HB2 H 1 2.12 0.03 . 1 . . . . . . . . . 4990 1 272 . 1 1 47 47 ASP HB3 H 1 2.49 0.03 . 1 . . . . . . . . . 4990 1 273 . 1 1 48 48 LEU H H 1 7.89 0.03 . 1 . . . . . . . . . 4990 1 274 . 1 1 48 48 LEU HA H 1 4.03 0.03 . 1 . . . . . . . . . 4990 1 275 . 1 1 48 48 LEU HB2 H 1 1.31 0.03 . 1 . . . . . . . . . 4990 1 276 . 1 1 48 48 LEU HB3 H 1 1.31 0.03 . 1 . . . . . . . . . 4990 1 277 . 1 1 48 48 LEU HG H 1 1.20 0.03 . 1 . . . . . . . . . 4990 1 278 . 1 1 48 48 LEU HD11 H 1 0.66 0.03 . 1 . . . . . . . . . 4990 1 279 . 1 1 48 48 LEU HD12 H 1 0.66 0.03 . 1 . . . . . . . . . 4990 1 280 . 1 1 48 48 LEU HD13 H 1 0.66 0.03 . 1 . . . . . . . . . 4990 1 281 . 1 1 48 48 LEU HD21 H 1 0.67 0.03 . 1 . . . . . . . . . 4990 1 282 . 1 1 48 48 LEU HD22 H 1 0.67 0.03 . 1 . . . . . . . . . 4990 1 283 . 1 1 48 48 LEU HD23 H 1 0.67 0.03 . 1 . . . . . . . . . 4990 1 284 . 1 1 49 49 PHE H H 1 7.85 0.03 . 1 . . . . . . . . . 4990 1 285 . 1 1 49 49 PHE HA H 1 4.41 0.03 . 1 . . . . . . . . . 4990 1 286 . 1 1 49 49 PHE HB2 H 1 2.81 0.03 . 1 . . . . . . . . . 4990 1 287 . 1 1 49 49 PHE HB3 H 1 3.02 0.03 . 1 . . . . . . . . . 4990 1 288 . 1 1 50 50 TYR H H 1 7.48 0.03 . 1 . . . . . . . . . 4990 1 289 . 1 1 50 50 TYR HA H 1 4.25 0.03 . 1 . . . . . . . . . 4990 1 290 . 1 1 50 50 TYR HB2 H 1 2.79 0.03 . 1 . . . . . . . . . 4990 1 291 . 1 1 50 50 TYR HB3 H 1 2.90 0.03 . 1 . . . . . . . . . 4990 1 stop_ save_