################################### # 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_assignment_Y31A_CBD_Cellobiohydrolase_I _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_Y31A_CBD_Cellobiohydrolase_I _Assigned_chem_shift_list.Entry_ID 4058 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $experimental_conditions_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_parameter_set_one _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_one . 4058 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 THR HA H 1 3.92 0.01 . 1 . . . . . . . . 4058 1 2 . 1 1 1 1 THR HB H 1 4.12 0.01 . 1 . . . . . . . . 4058 1 3 . 1 1 1 1 THR HG21 H 1 1.23 0.01 . 1 . . . . . . . . 4058 1 4 . 1 1 1 1 THR HG22 H 1 1.23 0.01 . 1 . . . . . . . . 4058 1 5 . 1 1 1 1 THR HG23 H 1 1.23 0.01 . 1 . . . . . . . . 4058 1 6 . 1 1 2 2 GLN H H 1 9.22 0.01 . 1 . . . . . . . . 4058 1 7 . 1 1 2 2 GLN HA H 1 4.72 0.01 . 1 . . . . . . . . 4058 1 8 . 1 1 2 2 GLN HB2 H 1 1.88 0.01 . 1 . . . . . . . . 4058 1 9 . 1 1 2 2 GLN HB3 H 1 1.84 0.01 . 1 . . . . . . . . 4058 1 10 . 1 1 2 2 GLN HG2 H 1 2.60 0.01 . 1 . . . . . . . . 4058 1 11 . 1 1 2 2 GLN HG3 H 1 2.23 0.01 . 1 . . . . . . . . 4058 1 12 . 1 1 2 2 GLN HE21 H 1 8.67 0.01 . 1 . . . . . . . . 4058 1 13 . 1 1 2 2 GLN HE22 H 1 7.08 0.01 . 1 . . . . . . . . 4058 1 14 . 1 1 3 3 SER H H 1 8.82 0.01 . 1 . . . . . . . . 4058 1 15 . 1 1 3 3 SER HA H 1 4.40 0.01 . 1 . . . . . . . . 4058 1 16 . 1 1 3 3 SER HB2 H 1 3.93 0.01 . 1 . . . . . . . . 4058 1 17 . 1 1 3 3 SER HB3 H 1 3.88 0.01 . 1 . . . . . . . . 4058 1 18 . 1 1 4 4 HIS H H 1 8.81 0.01 . 1 . . . . . . . . 4058 1 19 . 1 1 4 4 HIS HA H 1 4.14 0.01 . 1 . . . . . . . . 4058 1 20 . 1 1 4 4 HIS HB2 H 1 3.12 0.01 . 1 . . . . . . . . 4058 1 21 . 1 1 4 4 HIS HB3 H 1 2.98 0.01 . 1 . . . . . . . . 4058 1 22 . 1 1 4 4 HIS HD2 H 1 6.83 0.01 . 1 . . . . . . . . 4058 1 23 . 1 1 5 5 TYR H H 1 9.37 0.01 . 1 . . . . . . . . 4058 1 24 . 1 1 5 5 TYR HA H 1 4.14 0.01 . 1 . . . . . . . . 4058 1 25 . 1 1 5 5 TYR HB2 H 1 3.15 0.01 . 1 . . . . . . . . 4058 1 26 . 1 1 5 5 TYR HB3 H 1 3.34 0.01 . 1 . . . . . . . . 4058 1 27 . 1 1 5 5 TYR HE1 H 1 6.90 0.01 . 1 . . . . . . . . 4058 1 28 . 1 1 5 5 TYR HE2 H 1 6.90 0.01 . 1 . . . . . . . . 4058 1 29 . 1 1 5 5 TYR HD1 H 1 6.55 0.01 . 1 . . . . . . . . 4058 1 30 . 1 1 5 5 TYR HD2 H 1 6.55 0.01 . 1 . . . . . . . . 4058 1 31 . 1 1 6 6 GLY H H 1 8.88 0.01 . 1 . . . . . . . . 4058 1 32 . 1 1 6 6 GLY HA2 H 1 4.18 0.01 . 1 . . . . . . . . 4058 1 33 . 1 1 6 6 GLY HA3 H 1 3.55 0.01 . 1 . . . . . . . . 4058 1 34 . 1 1 7 7 GLN H H 1 8.71 0.01 . 1 . . . . . . . . 4058 1 35 . 1 1 7 7 GLN HA H 1 4.27 0.01 . 1 . . . . . . . . 4058 1 36 . 1 1 7 7 GLN HB2 H 1 1.67 0.01 . 1 . . . . . . . . 4058 1 37 . 1 1 7 7 GLN HB3 H 1 2.07 0.01 . 1 . . . . . . . . 4058 1 38 . 1 1 7 7 GLN HG2 H 1 2.31 0.01 . 1 . . . . . . . . 4058 1 39 . 1 1 7 7 GLN HG3 H 1 1.06 0.01 . 1 . . . . . . . . 4058 1 40 . 1 1 7 7 GLN HE21 H 1 7.19 0.01 . 1 . . . . . . . . 4058 1 41 . 1 1 7 7 GLN HE22 H 1 7.11 0.01 . 1 . . . . . . . . 4058 1 42 . 1 1 8 8 CYS H H 1 7.96 0.01 . 1 . . . . . . . . 4058 1 43 . 1 1 8 8 CYS HA H 1 5.17 0.01 . 1 . . . . . . . . 4058 1 44 . 1 1 8 8 CYS HB2 H 1 2.85 0.01 . 1 . . . . . . . . 4058 1 45 . 1 1 8 8 CYS HB3 H 1 3.48 0.01 . 1 . . . . . . . . 4058 1 46 . 1 1 9 9 GLY H H 1 6.71 0.01 . 1 . . . . . . . . 4058 1 47 . 1 1 9 9 GLY HA2 H 1 4.48 0.01 . 1 . . . . . . . . 4058 1 48 . 1 1 9 9 GLY HA3 H 1 4.26 0.01 . 1 . . . . . . . . 4058 1 49 . 1 1 10 10 GLY H H 1 8.75 0.01 . 1 . . . . . . . . 4058 1 50 . 1 1 10 10 GLY HA2 H 1 3.94 0.01 . 1 . . . . . . . . 4058 1 51 . 1 1 10 10 GLY HA3 H 1 4.43 0.01 . 1 . . . . . . . . 4058 1 52 . 1 1 11 11 ILE H H 1 8.40 0.01 . 1 . . . . . . . . 4058 1 53 . 1 1 11 11 ILE HA H 1 3.96 0.01 . 1 . . . . . . . . 4058 1 54 . 1 1 11 11 ILE HB H 1 1.20 0.01 . 1 . . . . . . . . 4058 1 55 . 1 1 11 11 ILE HG12 H 1 1.71 0.01 . 1 . . . . . . . . 4058 1 56 . 1 1 11 11 ILE HG13 H 1 0.94 0.01 . 1 . . . . . . . . 4058 1 57 . 1 1 11 11 ILE HG21 H 1 0.92 0.01 . 1 . . . . . . . . 4058 1 58 . 1 1 11 11 ILE HG22 H 1 0.92 0.01 . 1 . . . . . . . . 4058 1 59 . 1 1 11 11 ILE HG23 H 1 0.92 0.01 . 1 . . . . . . . . 4058 1 60 . 1 1 12 12 GLY H H 1 9.19 0.01 . 1 . . . . . . . . 4058 1 61 . 1 1 12 12 GLY HA2 H 1 3.76 0.01 . 1 . . . . . . . . 4058 1 62 . 1 1 12 12 GLY HA3 H 1 4.22 0.01 . 1 . . . . . . . . 4058 1 63 . 1 1 13 13 TYR H H 1 7.89 0.01 . 1 . . . . . . . . 4058 1 64 . 1 1 13 13 TYR HA H 1 4.59 0.01 . 1 . . . . . . . . 4058 1 65 . 1 1 13 13 TYR HB2 H 1 2.87 0.01 . 1 . . . . . . . . 4058 1 66 . 1 1 13 13 TYR HB3 H 1 2.77 0.01 . 1 . . . . . . . . 4058 1 67 . 1 1 13 13 TYR HD1 H 1 6.90 0.01 . 1 . . . . . . . . 4058 1 68 . 1 1 13 13 TYR HD2 H 1 6.90 0.01 . 1 . . . . . . . . 4058 1 69 . 1 1 13 13 TYR HE1 H 1 6.46 0.01 . 1 . . . . . . . . 4058 1 70 . 1 1 13 13 TYR HE2 H 1 6.46 0.01 . 1 . . . . . . . . 4058 1 71 . 1 1 14 14 SER H H 1 8.51 0.01 . 1 . . . . . . . . 4058 1 72 . 1 1 14 14 SER HA H 1 4.52 0.01 . 1 . . . . . . . . 4058 1 73 . 1 1 14 14 SER HB2 H 1 3.62 0.01 . 1 . . . . . . . . 4058 1 74 . 1 1 14 14 SER HB3 H 1 3.79 0.01 . 1 . . . . . . . . 4058 1 75 . 1 1 15 15 GLY H H 1 5.07 0.01 . 1 . . . . . . . . 4058 1 76 . 1 1 15 15 GLY HA2 H 1 4.05 0.01 . 1 . . . . . . . . 4058 1 77 . 1 1 15 15 GLY HA3 H 1 3.59 0.01 . 1 . . . . . . . . 4058 1 78 . 1 1 16 16 PRO HA H 1 4.49 0.01 . 1 . . . . . . . . 4058 1 79 . 1 1 16 16 PRO HB2 H 1 2.37 0.01 . 1 . . . . . . . . 4058 1 80 . 1 1 16 16 PRO HB3 H 1 1.94 0.01 . 1 . . . . . . . . 4058 1 81 . 1 1 16 16 PRO HG2 H 1 2.04 0.01 . 1 . . . . . . . . 4058 1 82 . 1 1 16 16 PRO HG3 H 1 2.01 0.01 . 1 . . . . . . . . 4058 1 83 . 1 1 16 16 PRO HD2 H 1 3.64 0.01 . 1 . . . . . . . . 4058 1 84 . 1 1 16 16 PRO HD3 H 1 3.51 0.01 . 1 . . . . . . . . 4058 1 85 . 1 1 17 17 THR H H 1 8.48 0.01 . 1 . . . . . . . . 4058 1 86 . 1 1 17 17 THR HA H 1 4.75 0.01 . 1 . . . . . . . . 4058 1 87 . 1 1 17 17 THR HB H 1 4.62 0.01 . 1 . . . . . . . . 4058 1 88 . 1 1 17 17 THR HG21 H 1 1.34 0.01 . 1 . . . . . . . . 4058 1 89 . 1 1 17 17 THR HG22 H 1 1.34 0.01 . 1 . . . . . . . . 4058 1 90 . 1 1 17 17 THR HG23 H 1 1.34 0.01 . 1 . . . . . . . . 4058 1 91 . 1 1 18 18 VAL H H 1 7.23 0.01 . 1 . . . . . . . . 4058 1 92 . 1 1 18 18 VAL HA H 1 4.11 0.01 . 1 . . . . . . . . 4058 1 93 . 1 1 18 18 VAL HB H 1 2.01 0.01 . 1 . . . . . . . . 4058 1 94 . 1 1 18 18 VAL HG11 H 1 0.97 0.01 . 2 . . . . . . . . 4058 1 95 . 1 1 18 18 VAL HG12 H 1 0.97 0.01 . 2 . . . . . . . . 4058 1 96 . 1 1 18 18 VAL HG13 H 1 0.97 0.01 . 2 . . . . . . . . 4058 1 97 . 1 1 18 18 VAL HG21 H 1 0.96 0.01 . 2 . . . . . . . . 4058 1 98 . 1 1 18 18 VAL HG22 H 1 0.96 0.01 . 2 . . . . . . . . 4058 1 99 . 1 1 18 18 VAL HG23 H 1 0.96 0.01 . 2 . . . . . . . . 4058 1 100 . 1 1 19 19 CYS H H 1 8.74 0.01 . 1 . . . . . . . . 4058 1 101 . 1 1 19 19 CYS HA H 1 4.65 0.01 . 1 . . . . . . . . 4058 1 102 . 1 1 19 19 CYS HB2 H 1 3.67 0.01 . 1 . . . . . . . . 4058 1 103 . 1 1 19 19 CYS HB3 H 1 2.25 0.01 . 1 . . . . . . . . 4058 1 104 . 1 1 20 20 ALA H H 1 8.17 0.01 . 1 . . . . . . . . 4058 1 105 . 1 1 20 20 ALA HA H 1 4.06 0.01 . 1 . . . . . . . . 4058 1 106 . 1 1 20 20 ALA HB1 H 1 1.32 0.01 . 1 . . . . . . . . 4058 1 107 . 1 1 20 20 ALA HB2 H 1 1.32 0.01 . 1 . . . . . . . . 4058 1 108 . 1 1 20 20 ALA HB3 H 1 1.32 0.01 . 1 . . . . . . . . 4058 1 109 . 1 1 21 21 SER H H 1 8.50 0.01 . 1 . . . . . . . . 4058 1 110 . 1 1 21 21 SER HA H 1 4.20 0.01 . 1 . . . . . . . . 4058 1 111 . 1 1 21 21 SER HB2 H 1 3.85 0.01 . 2 . . . . . . . . 4058 1 112 . 1 1 21 21 SER HB3 H 1 3.85 0.01 . 2 . . . . . . . . 4058 1 113 . 1 1 22 22 GLY H H 1 8.94 0.01 . 1 . . . . . . . . 4058 1 114 . 1 1 22 22 GLY HA2 H 1 4.62 0.01 . 1 . . . . . . . . 4058 1 115 . 1 1 22 22 GLY HA3 H 1 4.33 0.01 . 1 . . . . . . . . 4058 1 116 . 1 1 23 23 THR H H 1 8.16 0.01 . 1 . . . . . . . . 4058 1 117 . 1 1 23 23 THR HA H 1 4.73 0.01 . 1 . . . . . . . . 4058 1 118 . 1 1 23 23 THR HB H 1 3.78 0.01 . 1 . . . . . . . . 4058 1 119 . 1 1 23 23 THR HG21 H 1 0.51 0.01 . 1 . . . . . . . . 4058 1 120 . 1 1 23 23 THR HG22 H 1 0.51 0.01 . 1 . . . . . . . . 4058 1 121 . 1 1 23 23 THR HG23 H 1 0.51 0.01 . 1 . . . . . . . . 4058 1 122 . 1 1 24 24 THR H H 1 9.37 0.01 . 1 . . . . . . . . 4058 1 123 . 1 1 24 24 THR HA H 1 4.51 0.01 . 1 . . . . . . . . 4058 1 124 . 1 1 24 24 THR HB H 1 4.04 0.01 . 1 . . . . . . . . 4058 1 125 . 1 1 24 24 THR HG21 H 1 1.13 0.01 . 1 . . . . . . . . 4058 1 126 . 1 1 24 24 THR HG22 H 1 1.13 0.01 . 1 . . . . . . . . 4058 1 127 . 1 1 24 24 THR HG23 H 1 1.13 0.01 . 1 . . . . . . . . 4058 1 128 . 1 1 25 25 CYS H H 1 8.92 0.01 . 1 . . . . . . . . 4058 1 129 . 1 1 25 25 CYS HA H 1 4.59 0.01 . 1 . . . . . . . . 4058 1 130 . 1 1 25 25 CYS HB2 H 1 2.94 0.01 . 1 . . . . . . . . 4058 1 131 . 1 1 25 25 CYS HB3 H 1 3.17 0.01 . 1 . . . . . . . . 4058 1 132 . 1 1 26 26 GLN H H 1 9.07 0.01 . 1 . . . . . . . . 4058 1 133 . 1 1 26 26 GLN HA H 1 4.61 0.01 . 1 . . . . . . . . 4058 1 134 . 1 1 26 26 GLN HB2 H 1 2.07 0.01 . 1 . . . . . . . . 4058 1 135 . 1 1 26 26 GLN HB3 H 1 1.94 0.01 . 1 . . . . . . . . 4058 1 136 . 1 1 26 26 GLN HG2 H 1 2.44 0.01 . 1 . . . . . . . . 4058 1 137 . 1 1 26 26 GLN HG3 H 1 2.26 0.01 . 1 . . . . . . . . 4058 1 138 . 1 1 26 26 GLN HE21 H 1 7.03 0.01 . 1 . . . . . . . . 4058 1 139 . 1 1 26 26 GLN HE22 H 1 6.78 0.01 . 1 . . . . . . . . 4058 1 140 . 1 1 27 27 VAL H H 1 8.72 0.01 . 1 . . . . . . . . 4058 1 141 . 1 1 27 27 VAL HA H 1 4.07 0.01 . 1 . . . . . . . . 4058 1 142 . 1 1 27 27 VAL HB H 1 1.94 0.01 . 1 . . . . . . . . 4058 1 143 . 1 1 27 27 VAL HG11 H 1 0.69 0.01 . 2 . . . . . . . . 4058 1 144 . 1 1 27 27 VAL HG12 H 1 0.69 0.01 . 2 . . . . . . . . 4058 1 145 . 1 1 27 27 VAL HG13 H 1 0.69 0.01 . 2 . . . . . . . . 4058 1 146 . 1 1 27 27 VAL HG21 H 1 0.93 0.01 . 2 . . . . . . . . 4058 1 147 . 1 1 27 27 VAL HG22 H 1 0.93 0.01 . 2 . . . . . . . . 4058 1 148 . 1 1 27 27 VAL HG23 H 1 0.93 0.01 . 2 . . . . . . . . 4058 1 149 . 1 1 28 28 LEU H H 1 8.68 0.01 . 1 . . . . . . . . 4058 1 150 . 1 1 28 28 LEU HA H 1 4.69 0.01 . 1 . . . . . . . . 4058 1 151 . 1 1 28 28 LEU HB2 H 1 1.93 0.01 . 1 . . . . . . . . 4058 1 152 . 1 1 28 28 LEU HB3 H 1 1.80 0.01 . 1 . . . . . . . . 4058 1 153 . 1 1 28 28 LEU HG H 1 1.80 0.01 . 1 . . . . . . . . 4058 1 154 . 1 1 28 28 LEU HD11 H 1 1.05 0.01 . 2 . . . . . . . . 4058 1 155 . 1 1 28 28 LEU HD12 H 1 1.05 0.01 . 2 . . . . . . . . 4058 1 156 . 1 1 28 28 LEU HD13 H 1 1.05 0.01 . 2 . . . . . . . . 4058 1 157 . 1 1 28 28 LEU HD21 H 1 0.93 0.01 . 2 . . . . . . . . 4058 1 158 . 1 1 28 28 LEU HD22 H 1 0.93 0.01 . 2 . . . . . . . . 4058 1 159 . 1 1 28 28 LEU HD23 H 1 0.93 0.01 . 2 . . . . . . . . 4058 1 160 . 1 1 29 29 ASN H H 1 8.62 0.01 . 1 . . . . . . . . 4058 1 161 . 1 1 29 29 ASN HB2 H 1 3.16 0.01 . 1 . . . . . . . . 4058 1 162 . 1 1 29 29 ASN HB3 H 1 3.05 0.01 . 1 . . . . . . . . 4058 1 163 . 1 1 29 29 ASN HD21 H 1 7.75 0.01 . 1 . . . . . . . . 4058 1 164 . 1 1 29 29 ASN HD22 H 1 7.04 0.01 . 1 . . . . . . . . 4058 1 165 . 1 1 30 30 PRO HA H 1 4.31 0.01 . 1 . . . . . . . . 4058 1 166 . 1 1 30 30 PRO HB2 H 1 2.49 0.01 . 1 . . . . . . . . 4058 1 167 . 1 1 30 30 PRO HG2 H 1 2.17 0.01 . 1 . . . . . . . . 4058 1 168 . 1 1 30 30 PRO HG3 H 1 1.96 0.01 . 1 . . . . . . . . 4058 1 169 . 1 1 30 30 PRO HD2 H 1 3.88 0.01 . 1 . . . . . . . . 4058 1 170 . 1 1 30 30 PRO HD3 H 1 3.76 0.01 . 1 . . . . . . . . 4058 1 171 . 1 1 31 31 ALA H H 1 8.39 0.01 . 1 . . . . . . . . 4058 1 172 . 1 1 31 31 ALA HA H 1 4.54 0.01 . 1 . . . . . . . . 4058 1 173 . 1 1 31 31 ALA HB1 H 1 1.52 0.01 . 1 . . . . . . . . 4058 1 174 . 1 1 31 31 ALA HB2 H 1 1.52 0.01 . 1 . . . . . . . . 4058 1 175 . 1 1 31 31 ALA HB3 H 1 1.52 0.01 . 1 . . . . . . . . 4058 1 176 . 1 1 32 32 TYR H H 1 8.01 0.01 . 1 . . . . . . . . 4058 1 177 . 1 1 32 32 TYR HA H 1 4.66 0.01 . 1 . . . . . . . . 4058 1 178 . 1 1 32 32 TYR HB2 H 1 2.79 0.01 . 1 . . . . . . . . 4058 1 179 . 1 1 32 32 TYR HB3 H 1 2.78 0.01 . 1 . . . . . . . . 4058 1 180 . 1 1 32 32 TYR HD1 H 1 6.95 0.01 . 1 . . . . . . . . 4058 1 181 . 1 1 32 32 TYR HD2 H 1 6.95 0.01 . 1 . . . . . . . . 4058 1 182 . 1 1 32 32 TYR HE1 H 1 6.59 0.01 . 1 . . . . . . . . 4058 1 183 . 1 1 32 32 TYR HE2 H 1 6.59 0.01 . 1 . . . . . . . . 4058 1 184 . 1 1 33 33 SER H H 1 6.78 0.01 . 1 . . . . . . . . 4058 1 185 . 1 1 33 33 SER HA H 1 5.22 0.01 . 1 . . . . . . . . 4058 1 186 . 1 1 33 33 SER HB2 H 1 3.55 0.01 . 1 . . . . . . . . 4058 1 187 . 1 1 33 33 SER HB3 H 1 2.85 0.01 . 1 . . . . . . . . 4058 1 188 . 1 1 34 34 GLN H H 1 9.10 0.01 . 1 . . . . . . . . 4058 1 189 . 1 1 34 34 GLN HA H 1 4.79 0.01 . 1 . . . . . . . . 4058 1 190 . 1 1 34 34 GLN HB2 H 1 1.89 0.01 . 1 . . . . . . . . 4058 1 191 . 1 1 34 34 GLN HB3 H 1 1.64 0.01 . 1 . . . . . . . . 4058 1 192 . 1 1 34 34 GLN HG2 H 1 2.12 0.01 . 1 . . . . . . . . 4058 1 193 . 1 1 34 34 GLN HG3 H 1 2.08 0.01 . 1 . . . . . . . . 4058 1 194 . 1 1 34 34 GLN HE21 H 1 7.79 0.01 . 1 . . . . . . . . 4058 1 195 . 1 1 34 34 GLN HE22 H 1 6.88 0.01 . 1 . . . . . . . . 4058 1 196 . 1 1 35 35 CYS H H 1 8.55 0.01 . 1 . . . . . . . . 4058 1 197 . 1 1 35 35 CYS HA H 1 5.07 0.01 . 1 . . . . . . . . 4058 1 198 . 1 1 35 35 CYS HB2 H 1 3.40 0.01 . 1 . . . . . . . . 4058 1 199 . 1 1 35 35 CYS HB3 H 1 2.90 0.01 . 1 . . . . . . . . 4058 1 200 . 1 1 36 36 LEU H H 1 9.08 0.01 . 1 . . . . . . . . 4058 1 201 . 1 1 36 36 LEU HA H 1 4.52 0.01 . 1 . . . . . . . . 4058 1 202 . 1 1 36 36 LEU HB2 H 1 1.59 0.01 . 1 . . . . . . . . 4058 1 203 . 1 1 36 36 LEU HB3 H 1 1.56 0.01 . 1 . . . . . . . . 4058 1 204 . 1 1 36 36 LEU HG H 1 1.35 0.01 . 1 . . . . . . . . 4058 1 205 . 1 1 36 36 LEU HD11 H 1 0.99 0.01 . 2 . . . . . . . . 4058 1 206 . 1 1 36 36 LEU HD12 H 1 0.99 0.01 . 2 . . . . . . . . 4058 1 207 . 1 1 36 36 LEU HD13 H 1 0.99 0.01 . 2 . . . . . . . . 4058 1 208 . 1 1 36 36 LEU HD21 H 1 0.94 0.01 . 2 . . . . . . . . 4058 1 209 . 1 1 36 36 LEU HD22 H 1 0.94 0.01 . 2 . . . . . . . . 4058 1 210 . 1 1 36 36 LEU HD23 H 1 0.94 0.01 . 2 . . . . . . . . 4058 1 stop_ save_