################################### # 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_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36522 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 1H-1H NOESY' 1 $sample1 isotropic 36522 1 2 '2D 1H-1H TOCSY' 1 $sample1 isotropic 36522 1 3 '2D DQF-COSY' 1 $sample1 isotropic 36522 1 4 '2D 1H-13C HSQC' 1 $sample1 isotropic 36522 1 5 '2D 1H-15N HSQC' 1 $sample1 isotropic 36522 1 6 '2D 1H-13C HSQC-TOCSY' 1 $sample1 isotropic 36522 1 7 '2D 1H-1H NOESY' 2 $sample2 isotropic 36522 1 8 '2D 1H-1H TOCSY' 2 $sample2 isotropic 36522 1 9 '2D 1H-13C HSQC' 2 $sample2 isotropic 36522 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 CYS HA H 1 3.9250 0.02 . 1 . . . . A 1 CYS HA . 36522 1 2 . 1 . 1 1 1 CYS HB2 H 1 3.0840 0.02 . 2 . . . . A 1 CYS HB2 . 36522 1 3 . 1 . 1 1 1 CYS HB3 H 1 3.0840 0.02 . 2 . . . . A 1 CYS HB3 . 36522 1 4 . 1 . 1 1 1 CYS CA C 13 61.2660 0.3 . 1 . . . . A 1 CYS CA . 36522 1 5 . 1 . 1 1 1 CYS CB C 13 44.6750 0.3 . 1 . . . . A 1 CYS CB . 36522 1 6 . 1 . 1 2 2 LEU H H 1 9.0010 0.02 . 1 . . . . A 2 LEU H . 36522 1 7 . 1 . 1 2 2 LEU HA H 1 4.5470 0.02 . 1 . . . . A 2 LEU HA . 36522 1 8 . 1 . 1 2 2 LEU HB2 H 1 2.0950 0.02 . 2 . . . . A 2 LEU HB2 . 36522 1 9 . 1 . 1 2 2 LEU HB3 H 1 1.4720 0.02 . 2 . . . . A 2 LEU HB3 . 36522 1 10 . 1 . 1 2 2 LEU HG H 1 1.7020 0.02 . 1 . . . . A 2 LEU HG . 36522 1 11 . 1 . 1 2 2 LEU HD11 H 1 1.0150 0.02 . 2 . . . . A 2 LEU HD11 . 36522 1 12 . 1 . 1 2 2 LEU HD12 H 1 1.0150 0.02 . 2 . . . . A 2 LEU HD12 . 36522 1 13 . 1 . 1 2 2 LEU HD13 H 1 1.0150 0.02 . 2 . . . . A 2 LEU HD13 . 36522 1 14 . 1 . 1 2 2 LEU HD21 H 1 0.9160 0.02 . 2 . . . . A 2 LEU HD21 . 36522 1 15 . 1 . 1 2 2 LEU HD22 H 1 0.9160 0.02 . 2 . . . . A 2 LEU HD22 . 36522 1 16 . 1 . 1 2 2 LEU HD23 H 1 0.9160 0.02 . 2 . . . . A 2 LEU HD23 . 36522 1 17 . 1 . 1 2 2 LEU CA C 13 54.4870 0.3 . 1 . . . . A 2 LEU CA . 36522 1 18 . 1 . 1 2 2 LEU CB C 13 42.7500 0.3 . 1 . . . . A 2 LEU CB . 36522 1 19 . 1 . 1 2 2 LEU CG C 13 26.8590 0.3 . 1 . . . . A 2 LEU CG . 36522 1 20 . 1 . 1 2 2 LEU CD1 C 13 25.4020 0.3 . 2 . . . . A 2 LEU CD1 . 36522 1 21 . 1 . 1 2 2 LEU CD2 C 13 22.2880 0.3 . 2 . . . . A 2 LEU CD2 . 36522 1 22 . 1 . 1 2 2 LEU N N 15 120.6180 0.2 . 1 . . . . A 2 LEU N . 36522 1 23 . 1 . 1 3 3 GLU H H 1 8.8740 0.02 . 1 . . . . A 3 GLU H . 36522 1 24 . 1 . 1 3 3 GLU HA H 1 4.1230 0.02 . 1 . . . . A 3 GLU HA . 36522 1 25 . 1 . 1 3 3 GLU HB2 H 1 2.0870 0.02 . 2 . . . . A 3 GLU HB2 . 36522 1 26 . 1 . 1 3 3 GLU HB3 H 1 1.9350 0.02 . 2 . . . . A 3 GLU HB3 . 36522 1 27 . 1 . 1 3 3 GLU HG2 H 1 2.3780 0.02 . 2 . . . . A 3 GLU HG2 . 36522 1 28 . 1 . 1 3 3 GLU HG3 H 1 2.3570 0.02 . 2 . . . . A 3 GLU HG3 . 36522 1 29 . 1 . 1 3 3 GLU CA C 13 56.1250 0.3 . 1 . . . . A 3 GLU CA . 36522 1 30 . 1 . 1 3 3 GLU CB C 13 30.8690 0.3 . 1 . . . . A 3 GLU CB . 36522 1 31 . 1 . 1 3 3 GLU CG C 13 36.3150 0.3 . 1 . . . . A 3 GLU CG . 36522 1 32 . 1 . 1 3 3 GLU N N 15 124.8900 0.2 . 1 . . . . A 3 GLU N . 36522 1 33 . 1 . 1 4 4 SER H H 1 8.6700 0.02 . 1 . . . . A 4 SER H . 36522 1 34 . 1 . 1 4 4 SER HA H 1 3.7450 0.02 . 1 . . . . A 4 SER HA . 36522 1 35 . 1 . 1 4 4 SER HB2 H 1 3.7260 0.02 . 2 . . . . A 4 SER HB2 . 36522 1 36 . 1 . 1 4 4 SER HB3 H 1 3.5990 0.02 . 2 . . . . A 4 SER HB3 . 36522 1 37 . 1 . 1 4 4 SER CA C 13 61.1200 0.3 . 1 . . . . A 4 SER CA . 36522 1 38 . 1 . 1 4 4 SER CB C 13 62.9600 0.3 . 1 . . . . A 4 SER CB . 36522 1 39 . 1 . 1 4 4 SER N N 15 118.4280 0.2 . 1 . . . . A 4 SER N . 36522 1 40 . 1 . 1 5 5 GLY H H 1 9.3100 0.02 . 1 . . . . A 5 GLY H . 36522 1 41 . 1 . 1 5 5 GLY HA2 H 1 3.4010 0.02 . 2 . . . . A 5 GLY HA2 . 36522 1 42 . 1 . 1 5 5 GLY HA3 H 1 4.3580 0.02 . 2 . . . . A 5 GLY HA3 . 36522 1 43 . 1 . 1 5 5 GLY CA C 13 45.1750 0.3 . 1 . . . . A 5 GLY CA . 36522 1 44 . 1 . 1 5 5 GLY N N 15 113.5050 0.2 . 1 . . . . A 5 GLY N . 36522 1 45 . 1 . 1 6 6 THR H H 1 7.6410 0.02 . 1 . . . . A 6 THR H . 36522 1 46 . 1 . 1 6 6 THR HA H 1 4.2540 0.02 . 1 . . . . A 6 THR HA . 36522 1 47 . 1 . 1 6 6 THR HB H 1 4.0100 0.02 . 1 . . . . A 6 THR HB . 36522 1 48 . 1 . 1 6 6 THR HG21 H 1 1.5000 0.02 . 1 . . . . A 6 THR HG21 . 36522 1 49 . 1 . 1 6 6 THR HG22 H 1 1.5000 0.02 . 1 . . . . A 6 THR HG22 . 36522 1 50 . 1 . 1 6 6 THR HG23 H 1 1.5000 0.02 . 1 . . . . A 6 THR HG23 . 36522 1 51 . 1 . 1 6 6 THR CA C 13 62.9600 0.3 . 1 . . . . A 6 THR CA . 36522 1 52 . 1 . 1 6 6 THR CB C 13 69.4890 0.3 . 1 . . . . A 6 THR CB . 36522 1 53 . 1 . 1 6 6 THR CG2 C 13 22.6150 0.3 . 1 . . . . A 6 THR CG2 . 36522 1 54 . 1 . 1 6 6 THR N N 15 116.0150 0.2 . 1 . . . . A 6 THR N . 36522 1 55 . 1 . 1 7 7 SER H H 1 8.3370 0.02 . 1 . . . . A 7 SER H . 36522 1 56 . 1 . 1 7 7 SER HA H 1 4.7700 0.02 . 1 . . . . A 7 SER HA . 36522 1 57 . 1 . 1 7 7 SER HB2 H 1 3.9110 0.02 . 2 . . . . A 7 SER HB2 . 36522 1 58 . 1 . 1 7 7 SER HB3 H 1 3.8320 0.02 . 2 . . . . A 7 SER HB3 . 36522 1 59 . 1 . 1 7 7 SER CA C 13 59.8450 0.3 . 1 . . . . A 7 SER CA . 36522 1 60 . 1 . 1 7 7 SER CB C 13 63.9490 0.3 . 1 . . . . A 7 SER CB . 36522 1 61 . 1 . 1 7 7 SER N N 15 120.3960 0.2 . 1 . . . . A 7 SER N . 36522 1 62 . 1 . 1 8 8 CYS H H 1 8.2310 0.02 . 1 . . . . A 8 CYS H . 36522 1 63 . 1 . 1 8 8 CYS HA H 1 4.8550 0.02 . 1 . . . . A 8 CYS HA . 36522 1 64 . 1 . 1 8 8 CYS HB2 H 1 2.7670 0.02 . 2 . . . . A 8 CYS HB2 . 36522 1 65 . 1 . 1 8 8 CYS HB3 H 1 3.1510 0.02 . 2 . . . . A 8 CYS HB3 . 36522 1 66 . 1 . 1 8 8 CYS CA C 13 53.4480 0.3 . 1 . . . . A 8 CYS CA . 36522 1 67 . 1 . 1 8 8 CYS CB C 13 47.8200 0.3 . 1 . . . . A 8 CYS CB . 36522 1 68 . 1 . 1 8 8 CYS N N 15 117.0690 0.2 . 1 . . . . A 8 CYS N . 36522 1 69 . 1 . 1 9 9 ILE H H 1 8.3600 0.02 . 1 . . . . A 9 ILE H . 36522 1 70 . 1 . 1 9 9 ILE HA H 1 4.4270 0.02 . 1 . . . . A 9 ILE HA . 36522 1 71 . 1 . 1 9 9 ILE HB H 1 1.7900 0.02 . 1 . . . . A 9 ILE HB . 36522 1 72 . 1 . 1 9 9 ILE HG12 H 1 1.5190 0.02 . 2 . . . . A 9 ILE HG12 . 36522 1 73 . 1 . 1 9 9 ILE HG13 H 1 1.1870 0.02 . 2 . . . . A 9 ILE HG13 . 36522 1 74 . 1 . 1 9 9 ILE HG21 H 1 0.8830 0.02 . 1 . . . . A 9 ILE HG21 . 36522 1 75 . 1 . 1 9 9 ILE HG22 H 1 0.8830 0.02 . 1 . . . . A 9 ILE HG22 . 36522 1 76 . 1 . 1 9 9 ILE HG23 H 1 0.8830 0.02 . 1 . . . . A 9 ILE HG23 . 36522 1 77 . 1 . 1 9 9 ILE HD11 H 1 0.8920 0.02 . 1 . . . . A 9 ILE HD11 . 36522 1 78 . 1 . 1 9 9 ILE HD12 H 1 0.8920 0.02 . 1 . . . . A 9 ILE HD12 . 36522 1 79 . 1 . 1 9 9 ILE HD13 H 1 0.8920 0.02 . 1 . . . . A 9 ILE HD13 . 36522 1 80 . 1 . 1 9 9 ILE CA C 13 57.4160 0.3 . 1 . . . . A 9 ILE CA . 36522 1 81 . 1 . 1 9 9 ILE CB C 13 38.4240 0.3 . 1 . . . . A 9 ILE CB . 36522 1 82 . 1 . 1 9 9 ILE CG1 C 13 27.2740 0.3 . 1 . . . . A 9 ILE CG1 . 36522 1 83 . 1 . 1 9 9 ILE CG2 C 13 16.9930 0.3 . 1 . . . . A 9 ILE CG2 . 36522 1 84 . 1 . 1 9 9 ILE CD1 C 13 12.3760 0.3 . 1 . . . . A 9 ILE CD1 . 36522 1 85 . 1 . 1 9 9 ILE N N 15 121.9980 0.2 . 1 . . . . A 9 ILE N . 36522 1 86 . 1 . 1 10 10 PRO HA H 1 3.8830 0.02 . 1 . . . . A 10 PRO HA . 36522 1 87 . 1 . 1 10 10 PRO HB2 H 1 1.8600 0.02 . 2 . . . . A 10 PRO HB2 . 36522 1 88 . 1 . 1 10 10 PRO HB3 H 1 2.0740 0.02 . 2 . . . . A 10 PRO HB3 . 36522 1 89 . 1 . 1 10 10 PRO HG2 H 1 1.8140 0.02 . 2 . . . . A 10 PRO HG2 . 36522 1 90 . 1 . 1 10 10 PRO HG3 H 1 1.3650 0.02 . 2 . . . . A 10 PRO HG3 . 36522 1 91 . 1 . 1 10 10 PRO HD2 H 1 3.3680 0.02 . 2 . . . . A 10 PRO HD2 . 36522 1 92 . 1 . 1 10 10 PRO HD3 H 1 3.7600 0.02 . 2 . . . . A 10 PRO HD3 . 36522 1 93 . 1 . 1 10 10 PRO CA C 13 64.0090 0.3 . 1 . . . . A 10 PRO CA . 36522 1 94 . 1 . 1 10 10 PRO CB C 13 32.1250 0.3 . 1 . . . . A 10 PRO CB . 36522 1 95 . 1 . 1 10 10 PRO CG C 13 27.8040 0.3 . 1 . . . . A 10 PRO CG . 36522 1 96 . 1 . 1 10 10 PRO CD C 13 51.1270 0.3 . 1 . . . . A 10 PRO CD . 36522 1 97 . 1 . 1 11 11 GLY H H 1 8.2750 0.02 . 1 . . . . A 11 GLY H . 36522 1 98 . 1 . 1 11 11 GLY HA2 H 1 4.2400 0.02 . 2 . . . . A 11 GLY HA2 . 36522 1 99 . 1 . 1 11 11 GLY HA3 H 1 3.7680 0.02 . 2 . . . . A 11 GLY HA3 . 36522 1 100 . 1 . 1 11 11 GLY CA C 13 44.7180 0.3 . 1 . . . . A 11 GLY CA . 36522 1 101 . 1 . 1 11 11 GLY N N 15 108.6860 0.2 . 1 . . . . A 11 GLY N . 36522 1 102 . 1 . 1 12 12 ALA H H 1 8.1130 0.02 . 1 . . . . A 12 ALA H . 36522 1 103 . 1 . 1 12 12 ALA HA H 1 4.4590 0.02 . 1 . . . . A 12 ALA HA . 36522 1 104 . 1 . 1 12 12 ALA HB1 H 1 1.3840 0.02 . 1 . . . . A 12 ALA HB1 . 36522 1 105 . 1 . 1 12 12 ALA HB2 H 1 1.3840 0.02 . 1 . . . . A 12 ALA HB2 . 36522 1 106 . 1 . 1 12 12 ALA HB3 H 1 1.3840 0.02 . 1 . . . . A 12 ALA HB3 . 36522 1 107 . 1 . 1 12 12 ALA CA C 13 52.0000 0.3 . 1 . . . . A 12 ALA CA . 36522 1 108 . 1 . 1 12 12 ALA CB C 13 19.7570 0.3 . 1 . . . . A 12 ALA CB . 36522 1 109 . 1 . 1 12 12 ALA N N 15 122.1800 0.2 . 1 . . . . A 12 ALA N . 36522 1 110 . 1 . 1 13 13 GLN H H 1 8.2360 0.02 . 1 . . . . A 13 GLN H . 36522 1 111 . 1 . 1 13 13 GLN HA H 1 4.2470 0.02 . 1 . . . . A 13 GLN HA . 36522 1 112 . 1 . 1 13 13 GLN HB2 H 1 1.8480 0.02 . 2 . . . . A 13 GLN HB2 . 36522 1 113 . 1 . 1 13 13 GLN HB3 H 1 2.1220 0.02 . 2 . . . . A 13 GLN HB3 . 36522 1 114 . 1 . 1 13 13 GLN HG2 H 1 2.2350 0.02 . 2 . . . . A 13 GLN HG2 . 36522 1 115 . 1 . 1 13 13 GLN HG3 H 1 2.2350 0.02 . 2 . . . . A 13 GLN HG3 . 36522 1 116 . 1 . 1 13 13 GLN HE21 H 1 7.4220 0.02 . 2 . . . . A 13 GLN HE21 . 36522 1 117 . 1 . 1 13 13 GLN HE22 H 1 6.6690 0.02 . 2 . . . . A 13 GLN HE22 . 36522 1 118 . 1 . 1 13 13 GLN CA C 13 55.2670 0.3 . 1 . . . . A 13 GLN CA . 36522 1 119 . 1 . 1 13 13 GLN CB C 13 27.8240 0.3 . 1 . . . . A 13 GLN CB . 36522 1 120 . 1 . 1 13 13 GLN CG C 13 33.7800 0.3 . 1 . . . . A 13 GLN CG . 36522 1 121 . 1 . 1 13 13 GLN N N 15 118.1100 0.2 . 1 . . . . A 13 GLN N . 36522 1 122 . 1 . 1 13 13 GLN NE2 N 15 111.3000 0.2 . 1 . . . . A 13 GLN NE2 . 36522 1 123 . 1 . 1 14 14 HIS H H 1 6.9250 0.02 . 1 . . . . A 14 HIS H . 36522 1 124 . 1 . 1 14 14 HIS HA H 1 4.3800 0.02 . 1 . . . . A 14 HIS HA . 36522 1 125 . 1 . 1 14 14 HIS HB2 H 1 3.0270 0.02 . 2 . . . . A 14 HIS HB2 . 36522 1 126 . 1 . 1 14 14 HIS HB3 H 1 3.2400 0.02 . 2 . . . . A 14 HIS HB3 . 36522 1 127 . 1 . 1 14 14 HIS HD2 H 1 7.4000 0.02 . 1 . . . . A 14 HIS HD2 . 36522 1 128 . 1 . 1 14 14 HIS CA C 13 56.6810 0.3 . 1 . . . . A 14 HIS CA . 36522 1 129 . 1 . 1 14 14 HIS CB C 13 31.7020 0.3 . 1 . . . . A 14 HIS CB . 36522 1 130 . 1 . 1 14 14 HIS CD2 C 13 120.2400 0.3 . 1 . . . . A 14 HIS CD2 . 36522 1 131 . 1 . 1 15 15 ASN H H 1 7.9320 0.02 . 1 . . . . A 15 ASN H . 36522 1 132 . 1 . 1 15 15 ASN HA H 1 4.3700 0.02 . 1 . . . . A 15 ASN HA . 36522 1 133 . 1 . 1 15 15 ASN HB2 H 1 3.0790 0.02 . 2 . . . . A 15 ASN HB2 . 36522 1 134 . 1 . 1 15 15 ASN HB3 H 1 2.5300 0.02 . 2 . . . . A 15 ASN HB3 . 36522 1 135 . 1 . 1 15 15 ASN HD21 H 1 7.2090 0.02 . 2 . . . . A 15 ASN HD21 . 36522 1 136 . 1 . 1 15 15 ASN HD22 H 1 6.7180 0.02 . 2 . . . . A 15 ASN HD22 . 36522 1 137 . 1 . 1 15 15 ASN CA C 13 53.6070 0.3 . 1 . . . . A 15 ASN CA . 36522 1 138 . 1 . 1 15 15 ASN CB C 13 38.6080 0.3 . 1 . . . . A 15 ASN CB . 36522 1 139 . 1 . 1 15 15 ASN N N 15 114.7850 0.2 . 1 . . . . A 15 ASN N . 36522 1 140 . 1 . 1 15 15 ASN ND2 N 15 110.6400 0.2 . 1 . . . . A 15 ASN ND2 . 36522 1 141 . 1 . 1 16 16 CYS H H 1 7.2790 0.02 . 1 . . . . A 16 CYS H . 36522 1 142 . 1 . 1 16 16 CYS HA H 1 4.9260 0.02 . 1 . . . . A 16 CYS HA . 36522 1 143 . 1 . 1 16 16 CYS HB2 H 1 2.4900 0.02 . 2 . . . . A 16 CYS HB2 . 36522 1 144 . 1 . 1 16 16 CYS HB3 H 1 3.2740 0.02 . 2 . . . . A 16 CYS HB3 . 36522 1 145 . 1 . 1 16 16 CYS CA C 13 56.6000 0.3 . 1 . . . . A 16 CYS CA . 36522 1 146 . 1 . 1 16 16 CYS CB C 13 35.4370 0.3 . 1 . . . . A 16 CYS CB . 36522 1 147 . 1 . 1 17 17 CYS H H 1 10.1240 0.02 . 1 . . . . A 17 CYS H . 36522 1 148 . 1 . 1 17 17 CYS HA H 1 4.3190 0.02 . 1 . . . . A 17 CYS HA . 36522 1 149 . 1 . 1 17 17 CYS HB2 H 1 2.8650 0.02 . 2 . . . . A 17 CYS HB2 . 36522 1 150 . 1 . 1 17 17 CYS HB3 H 1 3.1420 0.02 . 2 . . . . A 17 CYS HB3 . 36522 1 151 . 1 . 1 17 17 CYS CA C 13 57.5770 0.3 . 1 . . . . A 17 CYS CA . 36522 1 152 . 1 . 1 17 17 CYS CB C 13 39.8500 0.3 . 1 . . . . A 17 CYS CB . 36522 1 153 . 1 . 1 17 17 CYS N N 15 128.1670 0.2 . 1 . . . . A 17 CYS N . 36522 1 154 . 1 . 1 18 18 SER H H 1 9.0570 0.02 . 1 . . . . A 18 SER H . 36522 1 155 . 1 . 1 18 18 SER HA H 1 4.1620 0.02 . 1 . . . . A 18 SER HA . 36522 1 156 . 1 . 1 18 18 SER HB2 H 1 4.0460 0.02 . 2 . . . . A 18 SER HB2 . 36522 1 157 . 1 . 1 18 18 SER HB3 H 1 3.9510 0.02 . 2 . . . . A 18 SER HB3 . 36522 1 158 . 1 . 1 18 18 SER CA C 13 58.7410 0.3 . 1 . . . . A 18 SER CA . 36522 1 159 . 1 . 1 18 18 SER CB C 13 64.5900 0.3 . 1 . . . . A 18 SER CB . 36522 1 160 . 1 . 1 18 18 SER N N 15 112.3200 0.2 . 1 . . . . A 18 SER N . 36522 1 161 . 1 . 1 19 19 GLY H H 1 7.8190 0.02 . 1 . . . . A 19 GLY H . 36522 1 162 . 1 . 1 19 19 GLY HA2 H 1 3.8480 0.02 . 2 . . . . A 19 GLY HA2 . 36522 1 163 . 1 . 1 19 19 GLY HA3 H 1 4.3710 0.02 . 2 . . . . A 19 GLY HA3 . 36522 1 164 . 1 . 1 19 19 GLY CA C 13 45.1080 0.3 . 1 . . . . A 19 GLY CA . 36522 1 165 . 1 . 1 19 19 GLY N N 15 106.7940 0.2 . 1 . . . . A 19 GLY N . 36522 1 166 . 1 . 1 20 20 VAL H H 1 7.5410 0.02 . 1 . . . . A 20 VAL H . 36522 1 167 . 1 . 1 20 20 VAL HA H 1 4.2060 0.02 . 1 . . . . A 20 VAL HA . 36522 1 168 . 1 . 1 20 20 VAL HB H 1 1.8530 0.02 . 1 . . . . A 20 VAL HB . 36522 1 169 . 1 . 1 20 20 VAL HG11 H 1 0.6840 0.02 . 2 . . . . A 20 VAL HG11 . 36522 1 170 . 1 . 1 20 20 VAL HG12 H 1 0.6840 0.02 . 2 . . . . A 20 VAL HG12 . 36522 1 171 . 1 . 1 20 20 VAL HG13 H 1 0.6840 0.02 . 2 . . . . A 20 VAL HG13 . 36522 1 172 . 1 . 1 20 20 VAL HG21 H 1 0.7400 0.02 . 2 . . . . A 20 VAL HG21 . 36522 1 173 . 1 . 1 20 20 VAL HG22 H 1 0.7400 0.02 . 2 . . . . A 20 VAL HG22 . 36522 1 174 . 1 . 1 20 20 VAL HG23 H 1 0.7400 0.02 . 2 . . . . A 20 VAL HG23 . 36522 1 175 . 1 . 1 20 20 VAL CA C 13 61.9260 0.3 . 1 . . . . A 20 VAL CA . 36522 1 176 . 1 . 1 20 20 VAL CB C 13 35.3730 0.3 . 1 . . . . A 20 VAL CB . 36522 1 177 . 1 . 1 20 20 VAL CG1 C 13 21.0400 0.3 . 2 . . . . A 20 VAL CG1 . 36522 1 178 . 1 . 1 20 20 VAL CG2 C 13 20.5670 0.3 . 2 . . . . A 20 VAL CG2 . 36522 1 179 . 1 . 1 20 20 VAL N N 15 119.9390 0.2 . 1 . . . . A 20 VAL N . 36522 1 180 . 1 . 1 21 21 CYS H H 1 7.9560 0.02 . 1 . . . . A 21 CYS H . 36522 1 181 . 1 . 1 21 21 CYS HA H 1 4.7310 0.02 . 1 . . . . A 21 CYS HA . 36522 1 182 . 1 . 1 21 21 CYS HB2 H 1 2.1230 0.02 . 2 . . . . A 21 CYS HB2 . 36522 1 183 . 1 . 1 21 21 CYS HB3 H 1 2.3780 0.02 . 2 . . . . A 21 CYS HB3 . 36522 1 184 . 1 . 1 21 21 CYS CA C 13 54.0610 0.3 . 1 . . . . A 21 CYS CA . 36522 1 185 . 1 . 1 21 21 CYS CB C 13 42.2420 0.3 . 1 . . . . A 21 CYS CB . 36522 1 186 . 1 . 1 21 21 CYS N N 15 127.7180 0.2 . 1 . . . . A 21 CYS N . 36522 1 187 . 1 . 1 22 22 VAL H H 1 9.0810 0.02 . 1 . . . . A 22 VAL H . 36522 1 188 . 1 . 1 22 22 VAL HA H 1 4.0780 0.02 . 1 . . . . A 22 VAL HA . 36522 1 189 . 1 . 1 22 22 VAL HB H 1 2.2480 0.02 . 1 . . . . A 22 VAL HB . 36522 1 190 . 1 . 1 22 22 VAL HG11 H 1 0.8980 0.02 . 2 . . . . A 22 VAL HG11 . 36522 1 191 . 1 . 1 22 22 VAL HG12 H 1 0.8980 0.02 . 2 . . . . A 22 VAL HG12 . 36522 1 192 . 1 . 1 22 22 VAL HG13 H 1 0.8980 0.02 . 2 . . . . A 22 VAL HG13 . 36522 1 193 . 1 . 1 22 22 VAL HG21 H 1 0.9800 0.02 . 2 . . . . A 22 VAL HG21 . 36522 1 194 . 1 . 1 22 22 VAL HG22 H 1 0.9800 0.02 . 2 . . . . A 22 VAL HG22 . 36522 1 195 . 1 . 1 22 22 VAL HG23 H 1 0.9800 0.02 . 2 . . . . A 22 VAL HG23 . 36522 1 196 . 1 . 1 22 22 VAL CA C 13 60.6870 0.3 . 1 . . . . A 22 VAL CA . 36522 1 197 . 1 . 1 22 22 VAL CB C 13 33.1090 0.3 . 1 . . . . A 22 VAL CB . 36522 1 198 . 1 . 1 22 22 VAL CG1 C 13 20.6270 0.3 . 2 . . . . A 22 VAL CG1 . 36522 1 199 . 1 . 1 22 22 VAL CG2 C 13 21.7770 0.3 . 2 . . . . A 22 VAL CG2 . 36522 1 200 . 1 . 1 22 22 VAL N N 15 131.5550 0.2 . 1 . . . . A 22 VAL N . 36522 1 201 . 1 . 1 23 23 PRO HA H 1 4.5070 0.02 . 1 . . . . A 23 PRO HA . 36522 1 202 . 1 . 1 23 23 PRO HB2 H 1 1.8560 0.02 . 2 . . . . A 23 PRO HB2 . 36522 1 203 . 1 . 1 23 23 PRO HB3 H 1 2.2070 0.02 . 2 . . . . A 23 PRO HB3 . 36522 1 204 . 1 . 1 23 23 PRO HG2 H 1 2.0830 0.02 . 2 . . . . A 23 PRO HG2 . 36522 1 205 . 1 . 1 23 23 PRO HG3 H 1 1.7590 0.02 . 2 . . . . A 23 PRO HG3 . 36522 1 206 . 1 . 1 23 23 PRO HD2 H 1 3.6370 0.02 . 2 . . . . A 23 PRO HD2 . 36522 1 207 . 1 . 1 23 23 PRO HD3 H 1 4.1260 0.02 . 2 . . . . A 23 PRO HD3 . 36522 1 208 . 1 . 1 23 23 PRO CA C 13 63.1950 0.3 . 1 . . . . A 23 PRO CA . 36522 1 209 . 1 . 1 23 23 PRO CB C 13 32.3600 0.3 . 1 . . . . A 23 PRO CB . 36522 1 210 . 1 . 1 23 23 PRO CG C 13 27.7070 0.3 . 1 . . . . A 23 PRO CG . 36522 1 211 . 1 . 1 23 23 PRO CD C 13 50.9700 0.3 . 1 . . . . A 23 PRO CD . 36522 1 212 . 1 . 1 24 24 ILE H H 1 8.4770 0.02 . 1 . . . . A 24 ILE H . 36522 1 213 . 1 . 1 24 24 ILE HA H 1 4.3030 0.02 . 1 . . . . A 24 ILE HA . 36522 1 214 . 1 . 1 24 24 ILE HB H 1 1.8270 0.02 . 1 . . . . A 24 ILE HB . 36522 1 215 . 1 . 1 24 24 ILE HG12 H 1 1.5410 0.02 . 2 . . . . A 24 ILE HG12 . 36522 1 216 . 1 . 1 24 24 ILE HG13 H 1 1.2500 0.02 . 2 . . . . A 24 ILE HG13 . 36522 1 217 . 1 . 1 24 24 ILE HG21 H 1 0.9740 0.02 . 1 . . . . A 24 ILE HG21 . 36522 1 218 . 1 . 1 24 24 ILE HG22 H 1 0.9740 0.02 . 1 . . . . A 24 ILE HG22 . 36522 1 219 . 1 . 1 24 24 ILE HG23 H 1 0.9740 0.02 . 1 . . . . A 24 ILE HG23 . 36522 1 220 . 1 . 1 24 24 ILE HD11 H 1 0.8070 0.02 . 1 . . . . A 24 ILE HD11 . 36522 1 221 . 1 . 1 24 24 ILE HD12 H 1 0.8070 0.02 . 1 . . . . A 24 ILE HD12 . 36522 1 222 . 1 . 1 24 24 ILE HD13 H 1 0.8070 0.02 . 1 . . . . A 24 ILE HD13 . 36522 1 223 . 1 . 1 24 24 ILE CA C 13 61.2300 0.3 . 1 . . . . A 24 ILE CA . 36522 1 224 . 1 . 1 24 24 ILE CB C 13 39.2630 0.3 . 1 . . . . A 24 ILE CB . 36522 1 225 . 1 . 1 24 24 ILE CG1 C 13 27.3360 0.3 . 1 . . . . A 24 ILE CG1 . 36522 1 226 . 1 . 1 24 24 ILE CG2 C 13 17.9380 0.3 . 1 . . . . A 24 ILE CG2 . 36522 1 227 . 1 . 1 24 24 ILE CD1 C 13 12.7620 0.3 . 1 . . . . A 24 ILE CD1 . 36522 1 228 . 1 . 1 24 24 ILE N N 15 121.7820 0.2 . 1 . . . . A 24 ILE N . 36522 1 229 . 1 . 1 25 25 VAL H H 1 8.1490 0.02 . 1 . . . . A 25 VAL H . 36522 1 230 . 1 . 1 25 25 VAL HA H 1 3.9580 0.02 . 1 . . . . A 25 VAL HA . 36522 1 231 . 1 . 1 25 25 VAL HB H 1 2.3840 0.02 . 1 . . . . A 25 VAL HB . 36522 1 232 . 1 . 1 25 25 VAL HG11 H 1 1.0580 0.02 . 2 . . . . A 25 VAL HG11 . 36522 1 233 . 1 . 1 25 25 VAL HG12 H 1 1.0580 0.02 . 2 . . . . A 25 VAL HG12 . 36522 1 234 . 1 . 1 25 25 VAL HG13 H 1 1.0580 0.02 . 2 . . . . A 25 VAL HG13 . 36522 1 235 . 1 . 1 25 25 VAL HG21 H 1 0.9950 0.02 . 2 . . . . A 25 VAL HG21 . 36522 1 236 . 1 . 1 25 25 VAL HG22 H 1 0.9950 0.02 . 2 . . . . A 25 VAL HG22 . 36522 1 237 . 1 . 1 25 25 VAL HG23 H 1 0.9950 0.02 . 2 . . . . A 25 VAL HG23 . 36522 1 238 . 1 . 1 25 25 VAL CA C 13 64.9230 0.3 . 1 . . . . A 25 VAL CA . 36522 1 239 . 1 . 1 25 25 VAL CB C 13 32.5050 0.3 . 1 . . . . A 25 VAL CB . 36522 1 240 . 1 . 1 25 25 VAL CG1 C 13 21.6160 0.3 . 2 . . . . A 25 VAL CG1 . 36522 1 241 . 1 . 1 25 25 VAL CG2 C 13 21.1980 0.3 . 2 . . . . A 25 VAL CG2 . 36522 1 242 . 1 . 1 25 25 VAL N N 15 119.0060 0.2 . 1 . . . . A 25 VAL N . 36522 1 243 . 1 . 1 26 26 THR H H 1 8.3790 0.02 . 1 . . . . A 26 THR H . 36522 1 244 . 1 . 1 26 26 THR HA H 1 4.2460 0.02 . 1 . . . . A 26 THR HA . 36522 1 245 . 1 . 1 26 26 THR HB H 1 4.3320 0.02 . 1 . . . . A 26 THR HB . 36522 1 246 . 1 . 1 26 26 THR HG21 H 1 1.2890 0.02 . 1 . . . . A 26 THR HG21 . 36522 1 247 . 1 . 1 26 26 THR HG22 H 1 1.2890 0.02 . 1 . . . . A 26 THR HG22 . 36522 1 248 . 1 . 1 26 26 THR HG23 H 1 1.2890 0.02 . 1 . . . . A 26 THR HG23 . 36522 1 249 . 1 . 1 26 26 THR CB C 13 70.8030 0.3 . 1 . . . . A 26 THR CB . 36522 1 250 . 1 . 1 26 26 THR CG2 C 13 22.1230 0.3 . 1 . . . . A 26 THR CG2 . 36522 1 251 . 1 . 1 26 26 THR N N 15 113.3480 0.2 . 1 . . . . A 26 THR N . 36522 1 252 . 1 . 1 27 27 ILE H H 1 7.6580 0.02 . 1 . . . . A 27 ILE H . 36522 1 253 . 1 . 1 27 27 ILE HA H 1 4.0620 0.02 . 1 . . . . A 27 ILE HA . 36522 1 254 . 1 . 1 27 27 ILE HB H 1 1.8440 0.02 . 1 . . . . A 27 ILE HB . 36522 1 255 . 1 . 1 27 27 ILE HG12 H 1 0.6030 0.02 . 2 . . . . A 27 ILE HG12 . 36522 1 256 . 1 . 1 27 27 ILE HG13 H 1 0.7550 0.02 . 2 . . . . A 27 ILE HG13 . 36522 1 257 . 1 . 1 27 27 ILE HG21 H 1 0.6510 0.02 . 1 . . . . A 27 ILE HG21 . 36522 1 258 . 1 . 1 27 27 ILE HG22 H 1 0.6510 0.02 . 1 . . . . A 27 ILE HG22 . 36522 1 259 . 1 . 1 27 27 ILE HG23 H 1 0.6510 0.02 . 1 . . . . A 27 ILE HG23 . 36522 1 260 . 1 . 1 27 27 ILE HD11 H 1 0.6110 0.02 . 1 . . . . A 27 ILE HD11 . 36522 1 261 . 1 . 1 27 27 ILE HD12 H 1 0.6110 0.02 . 1 . . . . A 27 ILE HD12 . 36522 1 262 . 1 . 1 27 27 ILE HD13 H 1 0.6110 0.02 . 1 . . . . A 27 ILE HD13 . 36522 1 263 . 1 . 1 27 27 ILE CA C 13 61.5080 0.3 . 1 . . . . A 27 ILE CA . 36522 1 264 . 1 . 1 27 27 ILE CB C 13 38.5530 0.3 . 1 . . . . A 27 ILE CB . 36522 1 265 . 1 . 1 27 27 ILE CG1 C 13 26.1800 0.3 . 1 . . . . A 27 ILE CG1 . 36522 1 266 . 1 . 1 27 27 ILE CG2 C 13 17.8920 0.3 . 1 . . . . A 27 ILE CG2 . 36522 1 267 . 1 . 1 27 27 ILE CD1 C 13 14.0310 0.3 . 1 . . . . A 27 ILE CD1 . 36522 1 268 . 1 . 1 27 27 ILE N N 15 112.8050 0.2 . 1 . . . . A 27 ILE N . 36522 1 269 . 1 . 1 28 28 PHE H H 1 7.9130 0.02 . 1 . . . . A 28 PHE H . 36522 1 270 . 1 . 1 28 28 PHE HA H 1 4.4400 0.02 . 1 . . . . A 28 PHE HA . 36522 1 271 . 1 . 1 28 28 PHE HB2 H 1 2.6840 0.02 . 2 . . . . A 28 PHE HB2 . 36522 1 272 . 1 . 1 28 28 PHE HB3 H 1 3.0970 0.02 . 2 . . . . A 28 PHE HB3 . 36522 1 273 . 1 . 1 28 28 PHE HD1 H 1 7.2050 0.02 . 3 . . . . A 28 PHE HD1 . 36522 1 274 . 1 . 1 28 28 PHE HD2 H 1 7.2050 0.02 . 3 . . . . A 28 PHE HD2 . 36522 1 275 . 1 . 1 28 28 PHE HE1 H 1 7.3110 0.02 . 3 . . . . A 28 PHE HE1 . 36522 1 276 . 1 . 1 28 28 PHE HE2 H 1 7.3110 0.02 . 3 . . . . A 28 PHE HE2 . 36522 1 277 . 1 . 1 28 28 PHE HZ H 1 7.2640 0.02 . 1 . . . . A 28 PHE HZ . 36522 1 278 . 1 . 1 28 28 PHE CA C 13 59.1650 0.3 . 1 . . . . A 28 PHE CA . 36522 1 279 . 1 . 1 28 28 PHE CB C 13 40.1750 0.3 . 1 . . . . A 28 PHE CB . 36522 1 280 . 1 . 1 28 28 PHE CD1 C 13 131.7000 0.3 . 3 . . . . A 28 PHE CD1 . 36522 1 281 . 1 . 1 28 28 PHE CD2 C 13 131.7000 0.3 . 3 . . . . A 28 PHE CD2 . 36522 1 282 . 1 . 1 28 28 PHE CE1 C 13 131.7000 0.3 . 3 . . . . A 28 PHE CE1 . 36522 1 283 . 1 . 1 28 28 PHE CE2 C 13 131.5000 0.3 . 3 . . . . A 28 PHE CE2 . 36522 1 284 . 1 . 1 28 28 PHE CZ C 13 129.7490 0.3 . 1 . . . . A 28 PHE CZ . 36522 1 285 . 1 . 1 28 28 PHE N N 15 117.4600 0.2 . 1 . . . . A 28 PHE N . 36522 1 286 . 1 . 1 29 29 TYR H H 1 7.3940 0.02 . 1 . . . . A 29 TYR H . 36522 1 287 . 1 . 1 29 29 TYR HA H 1 4.8890 0.02 . 1 . . . . A 29 TYR HA . 36522 1 288 . 1 . 1 29 29 TYR HB2 H 1 3.0650 0.02 . 2 . . . . A 29 TYR HB2 . 36522 1 289 . 1 . 1 29 29 TYR HB3 H 1 2.9370 0.02 . 2 . . . . A 29 TYR HB3 . 36522 1 290 . 1 . 1 29 29 TYR HD1 H 1 7.1110 0.02 . 3 . . . . A 29 TYR HD1 . 36522 1 291 . 1 . 1 29 29 TYR HD2 H 1 7.1110 0.02 . 3 . . . . A 29 TYR HD2 . 36522 1 292 . 1 . 1 29 29 TYR HE1 H 1 6.7700 0.02 . 3 . . . . A 29 TYR HE1 . 36522 1 293 . 1 . 1 29 29 TYR HE2 H 1 6.7700 0.02 . 3 . . . . A 29 TYR HE2 . 36522 1 294 . 1 . 1 29 29 TYR CA C 13 57.7030 0.3 . 1 . . . . A 29 TYR CA . 36522 1 295 . 1 . 1 29 29 TYR CB C 13 41.7000 0.3 . 1 . . . . A 29 TYR CB . 36522 1 296 . 1 . 1 29 29 TYR CD1 C 13 133.4000 0.3 . 3 . . . . A 29 TYR CD1 . 36522 1 297 . 1 . 1 29 29 TYR CD2 C 13 133.4000 0.3 . 3 . . . . A 29 TYR CD2 . 36522 1 298 . 1 . 1 29 29 TYR CE1 C 13 118.1500 0.3 . 3 . . . . A 29 TYR CE1 . 36522 1 299 . 1 . 1 29 29 TYR CE2 C 13 118.1500 0.3 . 3 . . . . A 29 TYR CE2 . 36522 1 300 . 1 . 1 29 29 TYR N N 15 115.3100 0.2 . 1 . . . . A 29 TYR N . 36522 1 301 . 1 . 1 30 30 GLY H H 1 8.2880 0.02 . 1 . . . . A 30 GLY H . 36522 1 302 . 1 . 1 30 30 GLY HA2 H 1 4.7820 0.02 . 2 . . . . A 30 GLY HA2 . 36522 1 303 . 1 . 1 30 30 GLY HA3 H 1 3.6260 0.02 . 2 . . . . A 30 GLY HA3 . 36522 1 304 . 1 . 1 30 30 GLY CA C 13 45.5480 0.3 . 1 . . . . A 30 GLY CA . 36522 1 305 . 1 . 1 30 30 GLY N N 15 113.3700 0.2 . 1 . . . . A 30 GLY N . 36522 1 306 . 1 . 1 31 31 VAL H H 1 8.4580 0.02 . 1 . . . . A 31 VAL H . 36522 1 307 . 1 . 1 31 31 VAL HA H 1 4.8660 0.02 . 1 . . . . A 31 VAL HA . 36522 1 308 . 1 . 1 31 31 VAL HB H 1 1.6790 0.02 . 1 . . . . A 31 VAL HB . 36522 1 309 . 1 . 1 31 31 VAL HG11 H 1 0.8060 0.02 . 2 . . . . A 31 VAL HG11 . 36522 1 310 . 1 . 1 31 31 VAL HG12 H 1 0.8060 0.02 . 2 . . . . A 31 VAL HG12 . 36522 1 311 . 1 . 1 31 31 VAL HG13 H 1 0.8060 0.02 . 2 . . . . A 31 VAL HG13 . 36522 1 312 . 1 . 1 31 31 VAL HG21 H 1 0.8210 0.02 . 2 . . . . A 31 VAL HG21 . 36522 1 313 . 1 . 1 31 31 VAL HG22 H 1 0.8210 0.02 . 2 . . . . A 31 VAL HG22 . 36522 1 314 . 1 . 1 31 31 VAL HG23 H 1 0.8210 0.02 . 2 . . . . A 31 VAL HG23 . 36522 1 315 . 1 . 1 31 31 VAL CA C 13 59.7870 0.3 . 1 . . . . A 31 VAL CA . 36522 1 316 . 1 . 1 31 31 VAL CB C 13 36.1840 0.3 . 1 . . . . A 31 VAL CB . 36522 1 317 . 1 . 1 31 31 VAL CG1 C 13 20.4280 0.3 . 2 . . . . A 31 VAL CG1 . 36522 1 318 . 1 . 1 31 31 VAL CG2 C 13 21.3480 0.3 . 2 . . . . A 31 VAL CG2 . 36522 1 319 . 1 . 1 31 31 VAL N N 15 115.7800 0.2 . 1 . . . . A 31 VAL N . 36522 1 320 . 1 . 1 32 32 CYS H H 1 9.1230 0.02 . 1 . . . . A 32 CYS H . 36522 1 321 . 1 . 1 32 32 CYS HA H 1 5.0290 0.02 . 1 . . . . A 32 CYS HA . 36522 1 322 . 1 . 1 32 32 CYS HB2 H 1 2.7130 0.02 . 2 . . . . A 32 CYS HB2 . 36522 1 323 . 1 . 1 32 32 CYS HB3 H 1 3.3130 0.02 . 2 . . . . A 32 CYS HB3 . 36522 1 324 . 1 . 1 32 32 CYS CA C 13 54.2100 0.3 . 1 . . . . A 32 CYS CA . 36522 1 325 . 1 . 1 32 32 CYS CB C 13 35.7650 0.3 . 1 . . . . A 32 CYS CB . 36522 1 326 . 1 . 1 32 32 CYS N N 15 125.1400 0.2 . 1 . . . . A 32 CYS N . 36522 1 327 . 1 . 1 33 33 TYR H H 1 8.8250 0.02 . 1 . . . . A 33 TYR H . 36522 1 328 . 1 . 1 33 33 TYR HA H 1 4.0450 0.02 . 1 . . . . A 33 TYR HA . 36522 1 329 . 1 . 1 33 33 TYR HB2 H 1 2.7000 0.02 . 2 . . . . A 33 TYR HB2 . 36522 1 330 . 1 . 1 33 33 TYR HB3 H 1 2.9320 0.02 . 2 . . . . A 33 TYR HB3 . 36522 1 331 . 1 . 1 33 33 TYR HD1 H 1 6.9810 0.02 . 3 . . . . A 33 TYR HD1 . 36522 1 332 . 1 . 1 33 33 TYR HD2 H 1 6.9810 0.02 . 3 . . . . A 33 TYR HD2 . 36522 1 333 . 1 . 1 33 33 TYR HE1 H 1 6.7790 0.02 . 3 . . . . A 33 TYR HE1 . 36522 1 334 . 1 . 1 33 33 TYR HE2 H 1 6.7790 0.02 . 3 . . . . A 33 TYR HE2 . 36522 1 335 . 1 . 1 33 33 TYR CA C 13 61.0750 0.3 . 1 . . . . A 33 TYR CA . 36522 1 336 . 1 . 1 33 33 TYR CB C 13 39.1550 0.3 . 1 . . . . A 33 TYR CB . 36522 1 337 . 1 . 1 33 33 TYR CD1 C 13 132.7500 0.3 . 3 . . . . A 33 TYR CD1 . 36522 1 338 . 1 . 1 33 33 TYR CD2 C 13 132.7500 0.3 . 3 . . . . A 33 TYR CD2 . 36522 1 339 . 1 . 1 33 33 TYR CE1 C 13 118.1500 0.3 . 3 . . . . A 33 TYR CE1 . 36522 1 340 . 1 . 1 33 33 TYR CE2 C 13 118.1500 0.3 . 3 . . . . A 33 TYR CE2 . 36522 1 341 . 1 . 1 33 33 TYR N N 15 132.8600 0.2 . 1 . . . . A 33 TYR N . 36522 1 stop_ save_