################################### # 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 4640 _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 '2D COSY' 1 $sample_1 . 4640 1 2 TOCSY 1 $sample_1 . 4640 1 3 NOESY 1 $sample_1 . 4640 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 1 1 GLY HA2 H 1 3.76 0.01 . 1 . . . . . . . . . 4640 1 2 . 1 1 1 1 GLY HA3 H 1 3.64 0.01 . 1 . . . . . . . . . 4640 1 3 . 1 1 2 2 PHE H H 1 8.55 0.01 . 1 . . . . . . . . . 4640 1 4 . 1 1 2 2 PHE HA H 1 3.96 0.01 . 1 . . . . . . . . . 4640 1 5 . 1 1 2 2 PHE HB2 H 1 2.99 0.01 . 1 . . . . . . . . . 4640 1 6 . 1 1 2 2 PHE HB3 H 1 2.72 0.01 . 1 . . . . . . . . . 4640 1 7 . 1 1 2 2 PHE HD1 H 1 7.18 0.01 . 1 . . . . . . . . . 4640 1 8 . 1 1 2 2 PHE HD2 H 1 7.18 0.01 . 1 . . . . . . . . . 4640 1 9 . 1 1 2 2 PHE HE1 H 1 6.82 0.01 . 1 . . . . . . . . . 4640 1 10 . 1 1 2 2 PHE HE2 H 1 6.82 0.01 . 1 . . . . . . . . . 4640 1 11 . 1 1 3 3 GLY H H 1 8.25 0.01 . 1 . . . . . . . . . 4640 1 12 . 1 1 3 3 GLY HA2 H 1 4.34 0.01 . 1 . . . . . . . . . 4640 1 13 . 1 1 3 3 GLY HA3 H 1 3.53 0.01 . 1 . . . . . . . . . 4640 1 14 . 1 1 4 4 CYS H H 1 7.99 0.01 . 1 . . . . . . . . . 4640 1 15 . 1 1 4 4 CYS HA H 1 4.79 0.01 . 1 . . . . . . . . . 4640 1 16 . 1 1 4 4 CYS HB2 H 1 4.29 0.01 . 1 . . . . . . . . . 4640 1 17 . 1 1 4 4 CYS HB3 H 1 2.81 0.01 . 1 . . . . . . . . . 4640 1 18 . 1 1 5 5 PRO HA H 1 4.88 0.01 . 1 . . . . . . . . . 4640 1 19 . 1 1 5 5 PRO HB2 H 1 2.43 0.01 . 2 . . . . . . . . . 4640 1 20 . 1 1 5 5 PRO HB3 H 1 2.25 0.01 . 2 . . . . . . . . . 4640 1 21 . 1 1 5 5 PRO HG2 H 1 1.92 0.01 . 2 . . . . . . . . . 4640 1 22 . 1 1 5 5 PRO HG3 H 1 1.71 0.01 . 2 . . . . . . . . . 4640 1 23 . 1 1 5 5 PRO HD2 H 1 3.49 0.01 . 1 . . . . . . . . . 4640 1 24 . 1 1 5 5 PRO HD3 H 1 3.49 0.01 . 1 . . . . . . . . . 4640 1 25 . 1 1 6 6 ASN H H 1 9.00 0.01 . 1 . . . . . . . . . 4640 1 26 . 1 1 6 6 ASN HA H 1 4.77 0.01 . 1 . . . . . . . . . 4640 1 27 . 1 1 6 6 ASN HB2 H 1 3.13 0.01 . 1 . . . . . . . . . 4640 1 28 . 1 1 6 6 ASN HB3 H 1 2.79 0.01 . 1 . . . . . . . . . 4640 1 29 . 1 1 6 6 ASN HD21 H 1 7.94 0.01 . 2 . . . . . . . . . 4640 1 30 . 1 1 6 6 ASN HD22 H 1 7.23 0.01 . 2 . . . . . . . . . 4640 1 31 . 1 1 7 7 ASN H H 1 9.78 0.01 . 1 . . . . . . . . . 4640 1 32 . 1 1 7 7 ASN HA H 1 4.58 0.01 . 1 . . . . . . . . . 4640 1 33 . 1 1 7 7 ASN HB2 H 1 3.04 0.01 . 1 . . . . . . . . . 4640 1 34 . 1 1 7 7 ASN HB3 H 1 2.83 0.01 . 1 . . . . . . . . . 4640 1 35 . 1 1 7 7 ASN HD21 H 1 7.82 0.01 . 2 . . . . . . . . . 4640 1 36 . 1 1 7 7 ASN HD22 H 1 7.25 0.01 . 2 . . . . . . . . . 4640 1 37 . 1 1 8 8 TYR H H 1 8.32 0.01 . 1 . . . . . . . . . 4640 1 38 . 1 1 8 8 TYR HA H 1 4.37 0.01 . 1 . . . . . . . . . 4640 1 39 . 1 1 8 8 TYR HB2 H 1 3.28 0.01 . 1 . . . . . . . . . 4640 1 40 . 1 1 8 8 TYR HB3 H 1 3.17 0.01 . 1 . . . . . . . . . 4640 1 41 . 1 1 8 8 TYR HD1 H 1 7.19 0.01 . 1 . . . . . . . . . 4640 1 42 . 1 1 8 8 TYR HD2 H 1 7.19 0.01 . 1 . . . . . . . . . 4640 1 43 . 1 1 8 8 TYR HE1 H 1 6.86 0.01 . 1 . . . . . . . . . 4640 1 44 . 1 1 8 8 TYR HE2 H 1 6.86 0.01 . 1 . . . . . . . . . 4640 1 45 . 1 1 9 9 GLN H H 1 7.96 0.01 . 1 . . . . . . . . . 4640 1 46 . 1 1 9 9 GLN HA H 1 3.98 0.01 . 1 . . . . . . . . . 4640 1 47 . 1 1 9 9 GLN HB2 H 1 2.30 0.01 . 1 . . . . . . . . . 4640 1 48 . 1 1 9 9 GLN HB3 H 1 2.12 0.01 . 1 . . . . . . . . . 4640 1 49 . 1 1 9 9 GLN HG2 H 1 2.56 0.01 . 2 . . . . . . . . . 4640 1 50 . 1 1 9 9 GLN HG3 H 1 2.46 0.01 . 2 . . . . . . . . . 4640 1 51 . 1 1 9 9 GLN HE21 H 1 7.62 0.01 . 2 . . . . . . . . . 4640 1 52 . 1 1 9 9 GLN HE22 H 1 7.07 0.01 . 2 . . . . . . . . . 4640 1 53 . 1 1 10 10 CYS H H 1 7.45 0.01 . 1 . . . . . . . . . 4640 1 54 . 1 1 10 10 CYS HA H 1 4.70 0.01 . 1 . . . . . . . . . 4640 1 55 . 1 1 10 10 CYS HB2 H 1 3.44 0.01 . 2 . . . . . . . . . 4640 1 56 . 1 1 10 10 CYS HB3 H 1 2.64 0.01 . 2 . . . . . . . . . 4640 1 57 . 1 1 11 11 HIS H H 1 9.01 0.01 . 1 . . . . . . . . . 4640 1 58 . 1 1 11 11 HIS HA H 1 3.80 0.01 . 1 . . . . . . . . . 4640 1 59 . 1 1 11 11 HIS HB2 H 1 3.36 0.01 . 1 . . . . . . . . . 4640 1 60 . 1 1 11 11 HIS HB3 H 1 3.24 0.01 . 1 . . . . . . . . . 4640 1 61 . 1 1 11 11 HIS HD2 H 1 8.13 0.01 . 1 . . . . . . . . . 4640 1 62 . 1 1 11 11 HIS HE1 H 1 7.05 0.01 . 1 . . . . . . . . . 4640 1 63 . 1 1 12 12 ARG H H 1 7.99 0.01 . 1 . . . . . . . . . 4640 1 64 . 1 1 12 12 ARG HA H 1 3.67 0.01 . 1 . . . . . . . . . 4640 1 65 . 1 1 12 12 ARG HB2 H 1 1.80 0.01 . 2 . . . . . . . . . 4640 1 66 . 1 1 12 12 ARG HB3 H 1 1.68 0.01 . 2 . . . . . . . . . 4640 1 67 . 1 1 12 12 ARG HG2 H 1 1.59 0.01 . 2 . . . . . . . . . 4640 1 68 . 1 1 12 12 ARG HG3 H 1 1.48 0.01 . 2 . . . . . . . . . 4640 1 69 . 1 1 12 12 ARG HD2 H 1 3.09 0.01 . 2 . . . . . . . . . 4640 1 70 . 1 1 12 12 ARG HD3 H 1 3.03 0.01 . 2 . . . . . . . . . 4640 1 71 . 1 1 12 12 ARG HE H 1 7.25 0.01 . 1 . . . . . . . . . 4640 1 72 . 1 1 13 13 HIS H H 1 7.95 0.01 . 1 . . . . . . . . . 4640 1 73 . 1 1 13 13 HIS HA H 1 4.29 0.01 . 1 . . . . . . . . . 4640 1 74 . 1 1 13 13 HIS HB2 H 1 3.34 0.01 . 1 . . . . . . . . . 4640 1 75 . 1 1 13 13 HIS HB3 H 1 3.50 0.01 . 1 . . . . . . . . . 4640 1 76 . 1 1 13 13 HIS HD2 H 1 8.21 0.01 . 1 . . . . . . . . . 4640 1 77 . 1 1 13 13 HIS HE1 H 1 6.54 0.01 . 1 . . . . . . . . . 4640 1 78 . 1 1 14 14 CYS H H 1 8.69 0.01 . 1 . . . . . . . . . 4640 1 79 . 1 1 14 14 CYS HA H 1 3.67 0.01 . 1 . . . . . . . . . 4640 1 80 . 1 1 14 14 CYS HB2 H 1 2.26 0.01 . 1 . . . . . . . . . 4640 1 81 . 1 1 14 14 CYS HB3 H 1 2.26 0.01 . 1 . . . . . . . . . 4640 1 82 . 1 1 15 15 LYS H H 1 7.53 0.01 . 1 . . . . . . . . . 4640 1 83 . 1 1 15 15 LYS HA H 1 3.66 0.01 . 1 . . . . . . . . . 4640 1 84 . 1 1 15 15 LYS HB2 H 1 1.67 0.01 . 1 . . . . . . . . . 4640 1 85 . 1 1 15 15 LYS HB3 H 1 1.47 0.01 . 1 . . . . . . . . . 4640 1 86 . 1 1 15 15 LYS HG2 H 1 1.00 0.01 . 1 . . . . . . . . . 4640 1 87 . 1 1 15 15 LYS HG3 H 1 1.00 0.01 . 1 . . . . . . . . . 4640 1 88 . 1 1 15 15 LYS HD2 H 1 1.16 0.01 . 1 . . . . . . . . . 4640 1 89 . 1 1 15 15 LYS HD3 H 1 1.16 0.01 . 1 . . . . . . . . . 4640 1 90 . 1 1 15 15 LYS HE2 H 1 2.87 0.01 . 1 . . . . . . . . . 4640 1 91 . 1 1 15 15 LYS HE3 H 1 2.87 0.01 . 1 . . . . . . . . . 4640 1 92 . 1 1 16 16 SER H H 1 7.30 0.01 . 1 . . . . . . . . . 4640 1 93 . 1 1 16 16 SER HA H 1 4.37 0.01 . 1 . . . . . . . . . 4640 1 94 . 1 1 16 16 SER HB2 H 1 4.01 0.01 . 2 . . . . . . . . . 4640 1 95 . 1 1 16 16 SER HB3 H 1 3.84 0.01 . 2 . . . . . . . . . 4640 1 96 . 1 1 17 17 ILE H H 1 7.47 0.01 . 1 . . . . . . . . . 4640 1 97 . 1 1 17 17 ILE HA H 1 4.33 0.01 . 1 . . . . . . . . . 4640 1 98 . 1 1 17 17 ILE HB H 1 1.80 0.01 . 1 . . . . . . . . . 4640 1 99 . 1 1 17 17 ILE HG12 H 1 1.23 0.01 . 1 . . . . . . . . . 4640 1 100 . 1 1 17 17 ILE HG13 H 1 1.23 0.01 . 1 . . . . . . . . . 4640 1 101 . 1 1 17 17 ILE HG21 H 1 0.81 0.01 . 1 . . . . . . . . . 4640 1 102 . 1 1 17 17 ILE HG22 H 1 0.81 0.01 . 1 . . . . . . . . . 4640 1 103 . 1 1 17 17 ILE HG23 H 1 0.81 0.01 . 1 . . . . . . . . . 4640 1 104 . 1 1 17 17 ILE HD11 H 1 0.51 0.01 . 1 . . . . . . . . . 4640 1 105 . 1 1 17 17 ILE HD12 H 1 0.51 0.01 . 1 . . . . . . . . . 4640 1 106 . 1 1 17 17 ILE HD13 H 1 0.51 0.01 . 1 . . . . . . . . . 4640 1 107 . 1 1 18 18 PRO HA H 1 4.25 0.01 . 1 . . . . . . . . . 4640 1 108 . 1 1 18 18 PRO HB2 H 1 2.30 0.01 . 2 . . . . . . . . . 4640 1 109 . 1 1 18 18 PRO HB3 H 1 1.88 0.01 . 2 . . . . . . . . . 4640 1 110 . 1 1 18 18 PRO HG2 H 1 2.12 0.01 . 2 . . . . . . . . . 4640 1 111 . 1 1 18 18 PRO HG3 H 1 1.99 0.01 . 2 . . . . . . . . . 4640 1 112 . 1 1 18 18 PRO HD2 H 1 4.09 0.01 . 2 . . . . . . . . . 4640 1 113 . 1 1 18 18 PRO HD3 H 1 3.62 0.01 . 2 . . . . . . . . . 4640 1 114 . 1 1 19 19 GLY H H 1 9.00 0.01 . 1 . . . . . . . . . 4640 1 115 . 1 1 19 19 GLY HA2 H 1 4.24 0.01 . 1 . . . . . . . . . 4640 1 116 . 1 1 19 19 GLY HA3 H 1 3.77 0.01 . 1 . . . . . . . . . 4640 1 117 . 1 1 20 20 ARG H H 1 8.38 0.01 . 1 . . . . . . . . . 4640 1 118 . 1 1 20 20 ARG HA H 1 4.97 0.01 . 1 . . . . . . . . . 4640 1 119 . 1 1 20 20 ARG HB2 H 1 2.60 0.01 . 1 . . . . . . . . . 4640 1 120 . 1 1 20 20 ARG HB3 H 1 1.26 0.01 . 1 . . . . . . . . . 4640 1 121 . 1 1 20 20 ARG HG2 H 1 1.42 0.01 . 2 . . . . . . . . . 4640 1 122 . 1 1 20 20 ARG HG3 H 1 1.36 0.01 . 2 . . . . . . . . . 4640 1 123 . 1 1 20 20 ARG HD2 H 1 2.79 0.01 . 2 . . . . . . . . . 4640 1 124 . 1 1 20 20 ARG HD3 H 1 2.57 0.01 . 2 . . . . . . . . . 4640 1 125 . 1 1 20 20 ARG HE H 1 7.45 0.01 . 1 . . . . . . . . . 4640 1 126 . 1 1 21 21 CYS H H 1 8.05 0.01 . 1 . . . . . . . . . 4640 1 127 . 1 1 21 21 CYS HA H 1 4.96 0.01 . 1 . . . . . . . . . 4640 1 128 . 1 1 21 21 CYS HB2 H 1 3.41 0.01 . 1 . . . . . . . . . 4640 1 129 . 1 1 21 21 CYS HB3 H 1 2.60 0.01 . 1 . . . . . . . . . 4640 1 130 . 1 1 22 22 GLY H H 1 6.72 0.01 . 1 . . . . . . . . . 4640 1 131 . 1 1 22 22 GLY HA2 H 1 4.04 0.01 . 1 . . . . . . . . . 4640 1 132 . 1 1 22 22 GLY HA3 H 1 3.02 0.01 . 1 . . . . . . . . . 4640 1 133 . 1 1 23 23 GLY H H 1 9.00 0.01 . 1 . . . . . . . . . 4640 1 134 . 1 1 23 23 GLY HA2 H 1 4.71 0.01 . 1 . . . . . . . . . 4640 1 135 . 1 1 23 23 GLY HA3 H 1 4.36 0.01 . 1 . . . . . . . . . 4640 1 136 . 1 1 24 24 TYR H H 1 8.43 0.01 . 1 . . . . . . . . . 4640 1 137 . 1 1 24 24 TYR HA H 1 4.89 0.01 . 1 . . . . . . . . . 4640 1 138 . 1 1 24 24 TYR HB2 H 1 3.19 0.01 . 2 . . . . . . . . . 4640 1 139 . 1 1 24 24 TYR HB3 H 1 3.03 0.01 . 2 . . . . . . . . . 4640 1 140 . 1 1 24 24 TYR HD1 H 1 7.01 0.01 . 1 . . . . . . . . . 4640 1 141 . 1 1 24 24 TYR HD2 H 1 7.01 0.01 . 1 . . . . . . . . . 4640 1 142 . 1 1 24 24 TYR HE1 H 1 6.78 0.01 . 1 . . . . . . . . . 4640 1 143 . 1 1 24 24 TYR HE2 H 1 6.78 0.01 . 1 . . . . . . . . . 4640 1 144 . 1 1 25 25 CYS H H 1 8.86 0.01 . 1 . . . . . . . . . 4640 1 145 . 1 1 25 25 CYS HA H 1 5.33 0.01 . 1 . . . . . . . . . 4640 1 146 . 1 1 25 25 CYS HB2 H 1 3.67 0.01 . 1 . . . . . . . . . 4640 1 147 . 1 1 25 25 CYS HB3 H 1 2.89 0.01 . 1 . . . . . . . . . 4640 1 148 . 1 1 26 26 GLY H H 1 9.02 0.01 . 1 . . . . . . . . . 4640 1 149 . 1 1 26 26 GLY HA2 H 1 4.50 0.01 . 1 . . . . . . . . . 4640 1 150 . 1 1 26 26 GLY HA3 H 1 4.08 0.01 . 1 . . . . . . . . . 4640 1 151 . 1 1 27 27 GLY H H 1 8.66 0.01 . 1 . . . . . . . . . 4640 1 152 . 1 1 27 27 GLY HA2 H 1 4.21 0.01 . 1 . . . . . . . . . 4640 1 153 . 1 1 27 27 GLY HA3 H 1 3.97 0.01 . 1 . . . . . . . . . 4640 1 154 . 1 1 28 28 TRP H H 1 8.91 0.01 . 1 . . . . . . . . . 4640 1 155 . 1 1 28 28 TRP HA H 1 4.40 0.01 . 1 . . . . . . . . . 4640 1 156 . 1 1 28 28 TRP HB2 H 1 3.25 0.01 . 1 . . . . . . . . . 4640 1 157 . 1 1 28 28 TRP HB3 H 1 3.25 0.01 . 1 . . . . . . . . . 4640 1 158 . 1 1 28 28 TRP HD1 H 1 7.25 0.01 . 1 . . . . . . . . . 4640 1 159 . 1 1 28 28 TRP HE1 H 1 10.04 0.01 . 1 . . . . . . . . . 4640 1 160 . 1 1 28 28 TRP HE3 H 1 7.15 0.01 . 1 . . . . . . . . . 4640 1 161 . 1 1 28 28 TRP HZ2 H 1 7.47 0.01 . 1 . . . . . . . . . 4640 1 162 . 1 1 28 28 TRP HZ3 H 1 7.15 0.01 . 1 . . . . . . . . . 4640 1 163 . 1 1 28 28 TRP HH2 H 1 7.01 0.01 . 1 . . . . . . . . . 4640 1 164 . 1 1 29 29 HIS H H 1 9.38 0.01 . 1 . . . . . . . . . 4640 1 165 . 1 1 29 29 HIS HA H 1 3.93 0.01 . 1 . . . . . . . . . 4640 1 166 . 1 1 29 29 HIS HB2 H 1 3.00 0.01 . 2 . . . . . . . . . 4640 1 167 . 1 1 29 29 HIS HB3 H 1 2.51 0.01 . 2 . . . . . . . . . 4640 1 168 . 1 1 29 29 HIS HD2 H 1 8.39 0.01 . 1 . . . . . . . . . 4640 1 169 . 1 1 29 29 HIS HE1 H 1 6.08 0.01 . 1 . . . . . . . . . 4640 1 170 . 1 1 30 30 ARG H H 1 8.44 0.01 . 1 . . . . . . . . . 4640 1 171 . 1 1 30 30 ARG HA H 1 3.24 0.01 . 1 . . . . . . . . . 4640 1 172 . 1 1 30 30 ARG HB2 H 1 1.62 0.01 . 2 . . . . . . . . . 4640 1 173 . 1 1 30 30 ARG HB3 H 1 1.50 0.01 . 2 . . . . . . . . . 4640 1 174 . 1 1 30 30 ARG HG2 H 1 1.91 0.01 . 2 . . . . . . . . . 4640 1 175 . 1 1 30 30 ARG HG3 H 1 1.87 0.01 . 2 . . . . . . . . . 4640 1 176 . 1 1 30 30 ARG HD2 H 1 3.24 0.01 . 1 . . . . . . . . . 4640 1 177 . 1 1 30 30 ARG HD3 H 1 3.24 0.01 . 1 . . . . . . . . . 4640 1 178 . 1 1 30 30 ARG HE H 1 7.19 0.01 . 1 . . . . . . . . . 4640 1 179 . 1 1 31 31 LEU H H 1 6.80 0.01 . 1 . . . . . . . . . 4640 1 180 . 1 1 31 31 LEU HA H 1 4.03 0.01 . 1 . . . . . . . . . 4640 1 181 . 1 1 31 31 LEU HB2 H 1 1.90 0.01 . 1 . . . . . . . . . 4640 1 182 . 1 1 31 31 LEU HB3 H 1 1.60 0.01 . 1 . . . . . . . . . 4640 1 183 . 1 1 31 31 LEU HG H 1 1.66 0.01 . 1 . . . . . . . . . 4640 1 184 . 1 1 31 31 LEU HD11 H 1 1.05 0.01 . 2 . . . . . . . . . 4640 1 185 . 1 1 31 31 LEU HD12 H 1 1.05 0.01 . 2 . . . . . . . . . 4640 1 186 . 1 1 31 31 LEU HD13 H 1 1.05 0.01 . 2 . . . . . . . . . 4640 1 187 . 1 1 31 31 LEU HD21 H 1 0.72 0.01 . 2 . . . . . . . . . 4640 1 188 . 1 1 31 31 LEU HD22 H 1 0.72 0.01 . 2 . . . . . . . . . 4640 1 189 . 1 1 31 31 LEU HD23 H 1 0.72 0.01 . 2 . . . . . . . . . 4640 1 190 . 1 1 32 32 ARG H H 1 8.69 0.01 . 1 . . . . . . . . . 4640 1 191 . 1 1 32 32 ARG HA H 1 4.59 0.01 . 1 . . . . . . . . . 4640 1 192 . 1 1 32 32 ARG HB2 H 1 1.75 0.01 . 2 . . . . . . . . . 4640 1 193 . 1 1 32 32 ARG HB3 H 1 1.69 0.01 . 2 . . . . . . . . . 4640 1 194 . 1 1 32 32 ARG HG2 H 1 1.33 0.01 . 1 . . . . . . . . . 4640 1 195 . 1 1 32 32 ARG HG3 H 1 1.33 0.01 . 1 . . . . . . . . . 4640 1 196 . 1 1 32 32 ARG HD2 H 1 3.23 0.01 . 1 . . . . . . . . . 4640 1 197 . 1 1 32 32 ARG HD3 H 1 3.23 0.01 . 1 . . . . . . . . . 4640 1 198 . 1 1 32 32 ARG HE H 1 7.08 0.01 . 1 . . . . . . . . . 4640 1 199 . 1 1 33 33 CYS H H 1 9.52 0.01 . 1 . . . . . . . . . 4640 1 200 . 1 1 33 33 CYS HA H 1 4.93 0.01 . 1 . . . . . . . . . 4640 1 201 . 1 1 33 33 CYS HB2 H 1 3.46 0.01 . 1 . . . . . . . . . 4640 1 202 . 1 1 33 33 CYS HB3 H 1 2.81 0.01 . 1 . . . . . . . . . 4640 1 203 . 1 1 34 34 THR H H 1 9.10 0.01 . 1 . . . . . . . . . 4640 1 204 . 1 1 34 34 THR HA H 1 4.32 0.01 . 1 . . . . . . . . . 4640 1 205 . 1 1 34 34 THR HB H 1 3.45 0.01 . 1 . . . . . . . . . 4640 1 206 . 1 1 34 34 THR HG21 H 1 1.13 0.01 . 1 . . . . . . . . . 4640 1 207 . 1 1 34 34 THR HG22 H 1 1.13 0.01 . 1 . . . . . . . . . 4640 1 208 . 1 1 34 34 THR HG23 H 1 1.13 0.01 . 1 . . . . . . . . . 4640 1 209 . 1 1 35 35 CYS H H 1 8.86 0.01 . 1 . . . . . . . . . 4640 1 210 . 1 1 35 35 CYS HA H 1 4.45 0.01 . 1 . . . . . . . . . 4640 1 211 . 1 1 35 35 CYS HB2 H 1 2.76 0.01 . 1 . . . . . . . . . 4640 1 212 . 1 1 36 36 TYR H H 1 8.32 0.01 . 1 . . . . . . . . . 4640 1 213 . 1 1 36 36 TYR HA H 1 5.18 0.01 . 1 . . . . . . . . . 4640 1 214 . 1 1 36 36 TYR HB2 H 1 3.24 0.01 . 2 . . . . . . . . . 4640 1 215 . 1 1 36 36 TYR HB3 H 1 2.98 0.01 . 2 . . . . . . . . . 4640 1 216 . 1 1 36 36 TYR HD1 H 1 6.98 0.01 . 1 . . . . . . . . . 4640 1 217 . 1 1 36 36 TYR HD2 H 1 6.98 0.01 . 1 . . . . . . . . . 4640 1 218 . 1 1 36 36 TYR HE1 H 1 6.60 0.01 . 1 . . . . . . . . . 4640 1 219 . 1 1 36 36 TYR HE2 H 1 6.60 0.01 . 1 . . . . . . . . . 4640 1 220 . 1 1 37 37 ARG H H 1 9.10 0.01 . 1 . . . . . . . . . 4640 1 221 . 1 1 37 37 ARG HA H 1 4.60 0.01 . 1 . . . . . . . . . 4640 1 222 . 1 1 37 37 ARG HB2 H 1 2.07 0.01 . 2 . . . . . . . . . 4640 1 223 . 1 1 37 37 ARG HB3 H 1 1.86 0.01 . 2 . . . . . . . . . 4640 1 224 . 1 1 37 37 ARG HG2 H 1 1.77 0.01 . 2 . . . . . . . . . 4640 1 225 . 1 1 37 37 ARG HG3 H 1 1.62 0.01 . 2 . . . . . . . . . 4640 1 226 . 1 1 37 37 ARG HD2 H 1 3.23 0.01 . 1 . . . . . . . . . 4640 1 227 . 1 1 37 37 ARG HD3 H 1 3.23 0.01 . 1 . . . . . . . . . 4640 1 228 . 1 1 37 37 ARG HE H 1 7.29 0.01 . 1 . . . . . . . . . 4640 1 229 . 1 1 38 38 CYS H H 1 8.33 0.01 . 1 . . . . . . . . . 4640 1 230 . 1 1 38 38 CYS HA H 1 4.72 0.01 . 1 . . . . . . . . . 4640 1 231 . 1 1 38 38 CYS HB2 H 1 3.30 0.01 . 2 . . . . . . . . . 4640 1 232 . 1 1 38 38 CYS HB3 H 1 2.78 0.01 . 2 . . . . . . . . . 4640 1 233 . 1 1 39 39 GLY H H 1 8.92 0.01 . 1 . . . . . . . . . 4640 1 234 . 1 1 39 39 GLY HA2 H 1 3.95 0.01 . 1 . . . . . . . . . 4640 1 235 . 1 1 40 40 NH2 HN1 H 1 7.57 0.01 . 2 . . . . . . . . . 4640 1 236 . 1 1 40 40 NH2 HN2 H 1 7.18 0.01 . 2 . . . . . . . . . 4640 1 stop_ save_