################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19328 _Assigned_chem_shift_list.ID 1 _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-15N HSQC' . . . 19328 1 3 '3D 1H-15N NOESY NUS' . . . 19328 1 4 '3D 1H-13C NOESY aliphatic NUS' . . . 19328 1 5 '3D 1H-13C NOESY aromatic NUS' . . . 19328 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 2 2 HIS HA H 1 4.82 0.02 . 1 . . . A 2 HIS HA . 19328 1 2 . 1 1 2 2 HIS HB2 H 1 3.07 0.02 . 2 . . . A 2 HIS HB2 . 19328 1 3 . 1 1 2 2 HIS HB3 H 1 3.29 0.02 . 2 . . . A 2 HIS HB3 . 19328 1 4 . 1 1 2 2 HIS C C 13 174.0 0.2 . 1 . . . A 2 HIS C . 19328 1 5 . 1 1 2 2 HIS CA C 13 55.8 0.2 . 1 . . . A 2 HIS CA . 19328 1 6 . 1 1 2 2 HIS CB C 13 30.4 0.2 . 1 . . . A 2 HIS CB . 19328 1 7 . 1 1 3 3 MET H H 1 8.45 0.02 . 1 . . . A 3 MET H . 19328 1 8 . 1 1 3 3 MET HA H 1 5.22 0.02 . 1 . . . A 3 MET HA . 19328 1 9 . 1 1 3 3 MET HB2 H 1 2.03 0.02 . 2 . . . A 3 MET HB2 . 19328 1 10 . 1 1 3 3 MET HB3 H 1 2.23 0.02 . 2 . . . A 3 MET HB3 . 19328 1 11 . 1 1 3 3 MET HG2 H 1 2.68 0.02 . 2 . . . A 3 MET HG2 . 19328 1 12 . 1 1 3 3 MET HG3 H 1 2.68 0.02 . 2 . . . A 3 MET HG3 . 19328 1 13 . 1 1 3 3 MET C C 13 176.1 0.2 . 1 . . . A 3 MET C . 19328 1 14 . 1 1 3 3 MET CA C 13 55.8 0.2 . 1 . . . A 3 MET CA . 19328 1 15 . 1 1 3 3 MET CB C 13 34.5 0.2 . 1 . . . A 3 MET CB . 19328 1 16 . 1 1 3 3 MET CG C 13 32.3 0.2 . 1 . . . A 3 MET CG . 19328 1 17 . 1 1 3 3 MET N N 15 121.1 0.2 . 1 . . . A 3 MET N . 19328 1 18 . 1 1 4 4 CYS H H 1 9.80 0.02 . 1 . . . A 4 CYS H . 19328 1 19 . 1 1 4 4 CYS HA H 1 5.23 0.02 . 1 . . . A 4 CYS HA . 19328 1 20 . 1 1 4 4 CYS HB2 H 1 1.85 0.02 . 2 . . . A 4 CYS HB2 . 19328 1 21 . 1 1 4 4 CYS HB3 H 1 3.48 0.02 . 2 . . . A 4 CYS HB3 . 19328 1 22 . 1 1 4 4 CYS CA C 13 57.0 0.2 . 1 . . . A 4 CYS CA . 19328 1 23 . 1 1 4 4 CYS CB C 13 30.2 0.2 . 1 . . . A 4 CYS CB . 19328 1 24 . 1 1 4 4 CYS N N 15 129.8 0.2 . 1 . . . A 4 CYS N . 19328 1 25 . 1 1 5 5 PRO HA H 1 4.78 0.02 . 1 . . . A 5 PRO HA . 19328 1 26 . 1 1 5 5 PRO HB2 H 1 2.23 0.02 . 2 . . . A 5 PRO HB2 . 19328 1 27 . 1 1 5 5 PRO HB3 H 1 2.05 0.02 . 2 . . . A 5 PRO HB3 . 19328 1 28 . 1 1 5 5 PRO HG2 H 1 1.14 0.02 . 2 . . . A 5 PRO HG2 . 19328 1 29 . 1 1 5 5 PRO HG3 H 1 1.67 0.02 . 2 . . . A 5 PRO HG3 . 19328 1 30 . 1 1 5 5 PRO HD2 H 1 3.03 0.02 . 2 . . . A 5 PRO HD2 . 19328 1 31 . 1 1 5 5 PRO HD3 H 1 3.83 0.02 . 2 . . . A 5 PRO HD3 . 19328 1 32 . 1 1 5 5 PRO C C 13 176.8 0.2 . 1 . . . A 5 PRO C . 19328 1 33 . 1 1 5 5 PRO CA C 13 63.3 0.2 . 1 . . . A 5 PRO CA . 19328 1 34 . 1 1 5 5 PRO CB C 13 30.1 0.2 . 1 . . . A 5 PRO CB . 19328 1 35 . 1 1 5 5 PRO CG C 13 26.9 0.2 . 1 . . . A 5 PRO CG . 19328 1 36 . 1 1 5 5 PRO CD C 13 50.8 0.2 . 1 . . . A 5 PRO CD . 19328 1 37 . 1 1 6 6 ALA H H 1 8.55 0.02 . 1 . . . A 6 ALA H . 19328 1 38 . 1 1 6 6 ALA HA H 1 4.48 0.02 . 1 . . . A 6 ALA HA . 19328 1 39 . 1 1 6 6 ALA HB1 H 1 1.53 0.02 . 1 . . . A 6 ALA HB1 . 19328 1 40 . 1 1 6 6 ALA HB2 H 1 1.53 0.02 . 1 . . . A 6 ALA HB2 . 19328 1 41 . 1 1 6 6 ALA HB3 H 1 1.53 0.02 . 1 . . . A 6 ALA HB3 . 19328 1 42 . 1 1 6 6 ALA C C 13 176.8 0.2 . 1 . . . A 6 ALA C . 19328 1 43 . 1 1 6 6 ALA CA C 13 53.3 0.2 . 1 . . . A 6 ALA CA . 19328 1 44 . 1 1 6 6 ALA CB C 13 20.2 0.2 . 1 . . . A 6 ALA CB . 19328 1 45 . 1 1 6 6 ALA N N 15 125.2 0.2 . 1 . . . A 6 ALA N . 19328 1 46 . 1 1 7 7 VAL H H 1 8.53 0.02 . 1 . . . A 7 VAL H . 19328 1 47 . 1 1 7 7 VAL HA H 1 3.73 0.02 . 1 . . . A 7 VAL HA . 19328 1 48 . 1 1 7 7 VAL HB H 1 2.06 0.02 . 1 . . . A 7 VAL HB . 19328 1 49 . 1 1 7 7 VAL HG11 H 1 1.04 0.02 . 2 . . . A 7 VAL HG11 . 19328 1 50 . 1 1 7 7 VAL HG12 H 1 1.04 0.02 . 2 . . . A 7 VAL HG12 . 19328 1 51 . 1 1 7 7 VAL HG13 H 1 1.04 0.02 . 2 . . . A 7 VAL HG13 . 19328 1 52 . 1 1 7 7 VAL HG21 H 1 1.16 0.02 . 2 . . . A 7 VAL HG21 . 19328 1 53 . 1 1 7 7 VAL HG22 H 1 1.16 0.02 . 2 . . . A 7 VAL HG22 . 19328 1 54 . 1 1 7 7 VAL HG23 H 1 1.16 0.02 . 2 . . . A 7 VAL HG23 . 19328 1 55 . 1 1 7 7 VAL C C 13 177.6 0.2 . 1 . . . A 7 VAL C . 19328 1 56 . 1 1 7 7 VAL CA C 13 66.3 0.2 . 1 . . . A 7 VAL CA . 19328 1 57 . 1 1 7 7 VAL CB C 13 31.3 0.2 . 1 . . . A 7 VAL CB . 19328 1 58 . 1 1 7 7 VAL CG1 C 13 20.8 0.2 . 2 . . . A 7 VAL CG1 . 19328 1 59 . 1 1 7 7 VAL CG2 C 13 22.2 0.2 . 2 . . . A 7 VAL CG2 . 19328 1 60 . 1 1 7 7 VAL N N 15 121.5 0.2 . 1 . . . A 7 VAL N . 19328 1 61 . 1 1 8 8 SER H H 1 7.89 0.02 . 1 . . . A 8 SER H . 19328 1 62 . 1 1 8 8 SER HA H 1 4.55 0.02 . 1 . . . A 8 SER HA . 19328 1 63 . 1 1 8 8 SER HB2 H 1 3.72 0.02 . 2 . . . A 8 SER HB2 . 19328 1 64 . 1 1 8 8 SER HB3 H 1 3.83 0.02 . 2 . . . A 8 SER HB3 . 19328 1 65 . 1 1 8 8 SER C C 13 172.9 0.2 . 1 . . . A 8 SER C . 19328 1 66 . 1 1 8 8 SER CA C 13 56.7 0.2 . 1 . . . A 8 SER CA . 19328 1 67 . 1 1 8 8 SER CB C 13 63.3 0.2 . 1 . . . A 8 SER CB . 19328 1 68 . 1 1 8 8 SER N N 15 113.2 0.2 . 1 . . . A 8 SER N . 19328 1 69 . 1 1 9 9 CYS H H 1 8.31 0.02 . 1 . . . A 9 CYS H . 19328 1 70 . 1 1 9 9 CYS HA H 1 5.26 0.02 . 1 . . . A 9 CYS HA . 19328 1 71 . 1 1 9 9 CYS HB2 H 1 3.41 0.02 . 2 . . . A 9 CYS HB2 . 19328 1 72 . 1 1 9 9 CYS HB3 H 1 3.02 0.02 . 2 . . . A 9 CYS HB3 . 19328 1 73 . 1 1 9 9 CYS C C 13 177.3 0.2 . 1 . . . A 9 CYS C . 19328 1 74 . 1 1 9 9 CYS CA C 13 58.2 0.2 . 1 . . . A 9 CYS CA . 19328 1 75 . 1 1 9 9 CYS CB C 13 29.6 0.2 . 1 . . . A 9 CYS CB . 19328 1 76 . 1 1 9 9 CYS N N 15 126.0 0.2 . 1 . . . A 9 CYS N . 19328 1 77 . 1 1 10 10 LEU H H 1 10.17 0.02 . 1 . . . A 10 LEU H . 19328 1 78 . 1 1 10 10 LEU HA H 1 4.18 0.02 . 1 . . . A 10 LEU HA . 19328 1 79 . 1 1 10 10 LEU HB2 H 1 1.65 0.02 . 2 . . . A 10 LEU HB2 . 19328 1 80 . 1 1 10 10 LEU HB3 H 1 1.57 0.02 . 2 . . . A 10 LEU HB3 . 19328 1 81 . 1 1 10 10 LEU HG H 1 1.91 0.02 . 1 . . . A 10 LEU HG . 19328 1 82 . 1 1 10 10 LEU HD11 H 1 0.88 0.02 . 2 . . . A 10 LEU HD11 . 19328 1 83 . 1 1 10 10 LEU HD12 H 1 0.88 0.02 . 2 . . . A 10 LEU HD12 . 19328 1 84 . 1 1 10 10 LEU HD13 H 1 0.88 0.02 . 2 . . . A 10 LEU HD13 . 19328 1 85 . 1 1 10 10 LEU HD21 H 1 0.85 0.02 . 2 . . . A 10 LEU HD21 . 19328 1 86 . 1 1 10 10 LEU HD22 H 1 0.85 0.02 . 2 . . . A 10 LEU HD22 . 19328 1 87 . 1 1 10 10 LEU HD23 H 1 0.85 0.02 . 2 . . . A 10 LEU HD23 . 19328 1 88 . 1 1 10 10 LEU C C 13 176.3 0.2 . 1 . . . A 10 LEU C . 19328 1 89 . 1 1 10 10 LEU CA C 13 55.9 0.2 . 1 . . . A 10 LEU CA . 19328 1 90 . 1 1 10 10 LEU CB C 13 41.5 0.2 . 1 . . . A 10 LEU CB . 19328 1 91 . 1 1 10 10 LEU CG C 13 27.1 0.2 . 1 . . . A 10 LEU CG . 19328 1 92 . 1 1 10 10 LEU CD1 C 13 25.5 0.2 . 2 . . . A 10 LEU CD1 . 19328 1 93 . 1 1 10 10 LEU CD2 C 13 22.3 0.2 . 2 . . . A 10 LEU CD2 . 19328 1 94 . 1 1 10 10 LEU N N 15 135.7 0.2 . 1 . . . A 10 LEU N . 19328 1 95 . 1 1 11 11 GLN H H 1 9.85 0.02 . 1 . . . A 11 GLN H . 19328 1 96 . 1 1 11 11 GLN HA H 1 3.87 0.02 . 1 . . . A 11 GLN HA . 19328 1 97 . 1 1 11 11 GLN HB2 H 1 2.07 0.02 . 2 . . . A 11 GLN HB2 . 19328 1 98 . 1 1 11 11 GLN HB3 H 1 2.10 0.02 . 2 . . . A 11 GLN HB3 . 19328 1 99 . 1 1 11 11 GLN HG2 H 1 2.24 0.02 . 2 . . . A 11 GLN HG2 . 19328 1 100 . 1 1 11 11 GLN HG3 H 1 2.33 0.02 . 2 . . . A 11 GLN HG3 . 19328 1 101 . 1 1 11 11 GLN HE21 H 1 7.63 0.02 . 2 . . . A 11 GLN HE21 . 19328 1 102 . 1 1 11 11 GLN HE22 H 1 6.83 0.02 . 2 . . . A 11 GLN HE22 . 19328 1 103 . 1 1 11 11 GLN CA C 13 55.4 0.2 . 1 . . . A 11 GLN CA . 19328 1 104 . 1 1 11 11 GLN CB C 13 28.1 0.2 . 1 . . . A 11 GLN CB . 19328 1 105 . 1 1 11 11 GLN CG C 13 35.4 0.2 . 1 . . . A 11 GLN CG . 19328 1 106 . 1 1 11 11 GLN N N 15 120.1 0.2 . 1 . . . A 11 GLN N . 19328 1 107 . 1 1 11 11 GLN NE2 N 15 111.9 0.2 . 1 . . . A 11 GLN NE2 . 19328 1 108 . 1 1 12 12 PRO HA H 1 4.23 0.02 . 1 . . . A 12 PRO HA . 19328 1 109 . 1 1 12 12 PRO HB2 H 1 1.67 0.02 . 2 . . . A 12 PRO HB2 . 19328 1 110 . 1 1 12 12 PRO HB3 H 1 1.89 0.02 . 2 . . . A 12 PRO HB3 . 19328 1 111 . 1 1 12 12 PRO HG2 H 1 0.98 0.02 . 2 . . . A 12 PRO HG2 . 19328 1 112 . 1 1 12 12 PRO HG3 H 1 1.14 0.02 . 2 . . . A 12 PRO HG3 . 19328 1 113 . 1 1 12 12 PRO HD2 H 1 2.56 0.02 . 2 . . . A 12 PRO HD2 . 19328 1 114 . 1 1 12 12 PRO HD3 H 1 2.86 0.02 . 2 . . . A 12 PRO HD3 . 19328 1 115 . 1 1 12 12 PRO C C 13 176.7 0.2 . 1 . . . A 12 PRO C . 19328 1 116 . 1 1 12 12 PRO CA C 13 62.7 0.2 . 1 . . . A 12 PRO CA . 19328 1 117 . 1 1 12 12 PRO CB C 13 31.3 0.2 . 1 . . . A 12 PRO CB . 19328 1 118 . 1 1 12 12 PRO CG C 13 27.0 0.2 . 1 . . . A 12 PRO CG . 19328 1 119 . 1 1 12 12 PRO CD C 13 51.0 0.2 . 1 . . . A 12 PRO CD . 19328 1 120 . 1 1 13 13 GLU H H 1 8.39 0.02 . 1 . . . A 13 GLU H . 19328 1 121 . 1 1 13 13 GLU HA H 1 4.34 0.02 . 1 . . . A 13 GLU HA . 19328 1 122 . 1 1 13 13 GLU HB2 H 1 2.01 0.02 . 2 . . . A 13 GLU HB2 . 19328 1 123 . 1 1 13 13 GLU HB3 H 1 1.88 0.02 . 2 . . . A 13 GLU HB3 . 19328 1 124 . 1 1 13 13 GLU HG2 H 1 2.22 0.02 . 2 . . . A 13 GLU HG2 . 19328 1 125 . 1 1 13 13 GLU HG3 H 1 2.30 0.02 . 2 . . . A 13 GLU HG3 . 19328 1 126 . 1 1 13 13 GLU C C 13 176.7 0.2 . 1 . . . A 13 GLU C . 19328 1 127 . 1 1 13 13 GLU CA C 13 55.6 0.2 . 1 . . . A 13 GLU CA . 19328 1 128 . 1 1 13 13 GLU CB C 13 32.1 0.2 . 1 . . . A 13 GLU CB . 19328 1 129 . 1 1 13 13 GLU CG C 13 36.0 0.2 . 1 . . . A 13 GLU CG . 19328 1 130 . 1 1 13 13 GLU N N 15 120.8 0.2 . 1 . . . A 13 GLU N . 19328 1 131 . 1 1 14 14 GLY H H 1 8.36 0.02 . 1 . . . A 14 GLY H . 19328 1 132 . 1 1 14 14 GLY HA2 H 1 3.83 0.02 . 2 . . . A 14 GLY HA2 . 19328 1 133 . 1 1 14 14 GLY HA3 H 1 4.33 0.02 . 2 . . . A 14 GLY HA3 . 19328 1 134 . 1 1 14 14 GLY C C 13 174.1 0.2 . 1 . . . A 14 GLY C . 19328 1 135 . 1 1 14 14 GLY CA C 13 44.8 0.2 . 1 . . . A 14 GLY CA . 19328 1 136 . 1 1 14 14 GLY N N 15 109.0 0.2 . 1 . . . A 14 GLY N . 19328 1 137 . 1 1 15 15 ASP H H 1 8.51 0.02 . 1 . . . A 15 ASP H . 19328 1 138 . 1 1 15 15 ASP HA H 1 4.68 0.02 . 1 . . . A 15 ASP HA . 19328 1 139 . 1 1 15 15 ASP HB2 H 1 2.81 0.02 . 2 . . . A 15 ASP HB2 . 19328 1 140 . 1 1 15 15 ASP HB3 H 1 2.61 0.02 . 2 . . . A 15 ASP HB3 . 19328 1 141 . 1 1 15 15 ASP C C 13 177.0 0.2 . 1 . . . A 15 ASP C . 19328 1 142 . 1 1 15 15 ASP CA C 13 55.5 0.2 . 1 . . . A 15 ASP CA . 19328 1 143 . 1 1 15 15 ASP CB C 13 41.4 0.2 . 1 . . . A 15 ASP CB . 19328 1 144 . 1 1 15 15 ASP N N 15 118.8 0.2 . 1 . . . A 15 ASP N . 19328 1 145 . 1 1 16 16 GLU H H 1 8.39 0.02 . 1 . . . A 16 GLU H . 19328 1 146 . 1 1 16 16 GLU HA H 1 4.56 0.02 . 1 . . . A 16 GLU HA . 19328 1 147 . 1 1 16 16 GLU HB2 H 1 2.12 0.02 . 2 . . . A 16 GLU HB2 . 19328 1 148 . 1 1 16 16 GLU HB3 H 1 1.90 0.02 . 2 . . . A 16 GLU HB3 . 19328 1 149 . 1 1 16 16 GLU HG2 H 1 2.22 0.02 . 2 . . . A 16 GLU HG2 . 19328 1 150 . 1 1 16 16 GLU HG3 H 1 2.22 0.02 . 2 . . . A 16 GLU HG3 . 19328 1 151 . 1 1 16 16 GLU C C 13 175.4 0.2 . 1 . . . A 16 GLU C . 19328 1 152 . 1 1 16 16 GLU CA C 13 55.6 0.2 . 1 . . . A 16 GLU CA . 19328 1 153 . 1 1 16 16 GLU CB C 13 29.2 0.2 . 1 . . . A 16 GLU CB . 19328 1 154 . 1 1 16 16 GLU CG C 13 36.0 0.2 . 1 . . . A 16 GLU CG . 19328 1 155 . 1 1 16 16 GLU N N 15 120.1 0.2 . 1 . . . A 16 GLU N . 19328 1 156 . 1 1 17 17 VAL H H 1 7.51 0.02 . 1 . . . A 17 VAL H . 19328 1 157 . 1 1 17 17 VAL HA H 1 3.96 0.02 . 1 . . . A 17 VAL HA . 19328 1 158 . 1 1 17 17 VAL HB H 1 1.90 0.02 . 1 . . . A 17 VAL HB . 19328 1 159 . 1 1 17 17 VAL HG11 H 1 0.531 0.02 . 2 . . . A 17 VAL HG11 . 19328 1 160 . 1 1 17 17 VAL HG12 H 1 0.531 0.02 . 2 . . . A 17 VAL HG12 . 19328 1 161 . 1 1 17 17 VAL HG13 H 1 0.531 0.02 . 2 . . . A 17 VAL HG13 . 19328 1 162 . 1 1 17 17 VAL HG21 H 1 0.58 0.02 . 2 . . . A 17 VAL HG21 . 19328 1 163 . 1 1 17 17 VAL HG22 H 1 0.58 0.02 . 2 . . . A 17 VAL HG22 . 19328 1 164 . 1 1 17 17 VAL HG23 H 1 0.58 0.02 . 2 . . . A 17 VAL HG23 . 19328 1 165 . 1 1 17 17 VAL C C 13 174.5 0.2 . 1 . . . A 17 VAL C . 19328 1 166 . 1 1 17 17 VAL CA C 13 61.6 0.2 . 1 . . . A 17 VAL CA . 19328 1 167 . 1 1 17 17 VAL CB C 13 33.2 0.2 . 1 . . . A 17 VAL CB . 19328 1 168 . 1 1 17 17 VAL CG1 C 13 21.73 0.2 . 2 . . . A 17 VAL CG1 . 19328 1 169 . 1 1 17 17 VAL CG2 C 13 20.9 0.2 . 2 . . . A 17 VAL CG2 . 19328 1 170 . 1 1 17 17 VAL N N 15 120.1 0.2 . 1 . . . A 17 VAL N . 19328 1 171 . 1 1 18 18 ASP H H 1 7.87 0.02 . 1 . . . A 18 ASP H . 19328 1 172 . 1 1 18 18 ASP HA H 1 5.13 0.02 . 1 . . . A 18 ASP HA . 19328 1 173 . 1 1 18 18 ASP HB2 H 1 2.72 0.02 . 2 . . . A 18 ASP HB2 . 19328 1 174 . 1 1 18 18 ASP HB3 H 1 2.38 0.02 . 2 . . . A 18 ASP HB3 . 19328 1 175 . 1 1 18 18 ASP C C 13 176.9 0.2 . 1 . . . A 18 ASP C . 19328 1 176 . 1 1 18 18 ASP CA C 13 54.2 0.2 . 1 . . . A 18 ASP CA . 19328 1 177 . 1 1 18 18 ASP CB C 13 42.5 0.2 . 1 . . . A 18 ASP CB . 19328 1 178 . 1 1 18 18 ASP N N 15 122.7 0.2 . 1 . . . A 18 ASP N . 19328 1 179 . 1 1 19 19 TRP H H 1 9.53 0.02 . 1 . . . A 19 TRP H . 19328 1 180 . 1 1 19 19 TRP HA H 1 5.64 0.02 . 1 . . . A 19 TRP HA . 19328 1 181 . 1 1 19 19 TRP HB2 H 1 3.68 0.02 . 2 . . . A 19 TRP HB2 . 19328 1 182 . 1 1 19 19 TRP HB3 H 1 3.14 0.02 . 2 . . . A 19 TRP HB3 . 19328 1 183 . 1 1 19 19 TRP HD1 H 1 7.38 0.02 . 1 . . . A 19 TRP HD1 . 19328 1 184 . 1 1 19 19 TRP HE1 H 1 10.18 0.02 . 1 . . . A 19 TRP HE1 . 19328 1 185 . 1 1 19 19 TRP HE3 H 1 7.38 0.02 . 1 . . . A 19 TRP HE3 . 19328 1 186 . 1 1 19 19 TRP HZ2 H 1 7.40 0.02 . 1 . . . A 19 TRP HZ2 . 19328 1 187 . 1 1 19 19 TRP HZ3 H 1 6.48 0.02 . 1 . . . A 19 TRP HZ3 . 19328 1 188 . 1 1 19 19 TRP HH2 H 1 6.70 0.02 . 1 . . . A 19 TRP HH2 . 19328 1 189 . 1 1 19 19 TRP C C 13 176.2 0.2 . 1 . . . A 19 TRP C . 19328 1 190 . 1 1 19 19 TRP CA C 13 57.3 0.2 . 1 . . . A 19 TRP CA . 19328 1 191 . 1 1 19 19 TRP CB C 13 34.1 0.2 . 1 . . . A 19 TRP CB . 19328 1 192 . 1 1 19 19 TRP CD1 C 13 128.6 0.2 . 1 . . . A 19 TRP CD1 . 19328 1 193 . 1 1 19 19 TRP CE3 C 13 120.0 0.2 . 1 . . . A 19 TRP CE3 . 19328 1 194 . 1 1 19 19 TRP CZ2 C 13 114.1 0.2 . 1 . . . A 19 TRP CZ2 . 19328 1 195 . 1 1 19 19 TRP CZ3 C 13 121.5 0.2 . 1 . . . A 19 TRP CZ3 . 19328 1 196 . 1 1 19 19 TRP CH2 C 13 124.3 0.2 . 1 . . . A 19 TRP CH2 . 19328 1 197 . 1 1 19 19 TRP N N 15 124.2 0.2 . 1 . . . A 19 TRP N . 19328 1 198 . 1 1 19 19 TRP NE1 N 15 130.6 0.2 . 1 . . . A 19 TRP NE1 . 19328 1 199 . 1 1 20 20 VAL H H 1 10.26 0.02 . 1 . . . A 20 VAL H . 19328 1 200 . 1 1 20 20 VAL HA H 1 4.80 0.02 . 1 . . . A 20 VAL HA . 19328 1 201 . 1 1 20 20 VAL HB H 1 1.87 0.02 . 1 . . . A 20 VAL HB . 19328 1 202 . 1 1 20 20 VAL HG11 H 1 0.46 0.02 . 2 . . . A 20 VAL HG11 . 19328 1 203 . 1 1 20 20 VAL HG12 H 1 0.46 0.02 . 2 . . . A 20 VAL HG12 . 19328 1 204 . 1 1 20 20 VAL HG13 H 1 0.46 0.02 . 2 . . . A 20 VAL HG13 . 19328 1 205 . 1 1 20 20 VAL HG21 H 1 0.97 0.02 . 2 . . . A 20 VAL HG21 . 19328 1 206 . 1 1 20 20 VAL HG22 H 1 0.97 0.02 . 2 . . . A 20 VAL HG22 . 19328 1 207 . 1 1 20 20 VAL HG23 H 1 0.97 0.02 . 2 . . . A 20 VAL HG23 . 19328 1 208 . 1 1 20 20 VAL C C 13 170.8 0.2 . 1 . . . A 20 VAL C . 19328 1 209 . 1 1 20 20 VAL CA C 13 60.6 0.2 . 1 . . . A 20 VAL CA . 19328 1 210 . 1 1 20 20 VAL CB C 13 35.3 0.2 . 1 . . . A 20 VAL CB . 19328 1 211 . 1 1 20 20 VAL CG1 C 13 18.9 0.2 . 2 . . . A 20 VAL CG1 . 19328 1 212 . 1 1 20 20 VAL CG2 C 13 22.1 0.2 . 2 . . . A 20 VAL CG2 . 19328 1 213 . 1 1 20 20 VAL N N 15 121.5 0.2 . 1 . . . A 20 VAL N . 19328 1 214 . 1 1 21 21 GLN H H 1 8.52 0.02 . 1 . . . A 21 GLN H . 19328 1 215 . 1 1 21 21 GLN HA H 1 4.48 0.02 . 1 . . . A 21 GLN HA . 19328 1 216 . 1 1 21 21 GLN HB2 H 1 1.21 0.02 . 2 . . . A 21 GLN HB2 . 19328 1 217 . 1 1 21 21 GLN HB3 H 1 -0.75 0.02 . 2 . . . A 21 GLN HB3 . 19328 1 218 . 1 1 21 21 GLN HG2 H 1 0.58 0.02 . 2 . . . A 21 GLN HG2 . 19328 1 219 . 1 1 21 21 GLN HG3 H 1 1.84 0.02 . 2 . . . A 21 GLN HG3 . 19328 1 220 . 1 1 21 21 GLN HE21 H 1 6.65 0.02 . 2 . . . A 21 GLN HE21 . 19328 1 221 . 1 1 21 21 GLN HE22 H 1 6.55 0.02 . 2 . . . A 21 GLN HE22 . 19328 1 222 . 1 1 21 21 GLN C C 13 175.3 0.2 . 1 . . . A 21 GLN C . 19328 1 223 . 1 1 21 21 GLN CA C 13 53.6 0.2 . 1 . . . A 21 GLN CA . 19328 1 224 . 1 1 21 21 GLN CB C 13 28.3 0.2 . 1 . . . A 21 GLN CB . 19328 1 225 . 1 1 21 21 GLN CG C 13 32.7 0.2 . 1 . . . A 21 GLN CG . 19328 1 226 . 1 1 21 21 GLN CD C 13 179.8 0.2 . 1 . . . A 21 GLN CD . 19328 1 227 . 1 1 21 21 GLN N N 15 131.3 0.2 . 1 . . . A 21 GLN N . 19328 1 228 . 1 1 21 21 GLN NE2 N 15 109.4 0.2 . 1 . . . A 21 GLN NE2 . 19328 1 229 . 1 1 22 22 CYS H H 1 8.88 0.02 . 1 . . . A 22 CYS H . 19328 1 230 . 1 1 22 22 CYS HA H 1 4.50 0.02 . 1 . . . A 22 CYS HA . 19328 1 231 . 1 1 22 22 CYS HB2 H 1 3.29 0.02 . 2 . . . A 22 CYS HB2 . 19328 1 232 . 1 1 22 22 CYS HB3 H 1 3.05 0.02 . 2 . . . A 22 CYS HB3 . 19328 1 233 . 1 1 22 22 CYS C C 13 176.1 0.2 . 1 . . . A 22 CYS C . 19328 1 234 . 1 1 22 22 CYS CA C 13 60.6 0.2 . 1 . . . A 22 CYS CA . 19328 1 235 . 1 1 22 22 CYS CB C 13 31.3 0.2 . 1 . . . A 22 CYS CB . 19328 1 236 . 1 1 22 22 CYS N N 15 127.4 0.2 . 1 . . . A 22 CYS N . 19328 1 237 . 1 1 23 23 ASP H H 1 9.83 0.02 . 1 . . . A 23 ASP H . 19328 1 238 . 1 1 23 23 ASP HA H 1 4.81 0.02 . 1 . . . A 23 ASP HA . 19328 1 239 . 1 1 23 23 ASP HB2 H 1 2.37 0.02 . 2 . . . A 23 ASP HB2 . 19328 1 240 . 1 1 23 23 ASP HB3 H 1 2.81 0.02 . 2 . . . A 23 ASP HB3 . 19328 1 241 . 1 1 23 23 ASP C C 13 176.7 0.2 . 1 . . . A 23 ASP C . 19328 1 242 . 1 1 23 23 ASP CA C 13 55.3 0.2 . 1 . . . A 23 ASP CA . 19328 1 243 . 1 1 23 23 ASP CB C 13 41.3 0.2 . 1 . . . A 23 ASP CB . 19328 1 244 . 1 1 23 23 ASP N N 15 129.2 0.2 . 1 . . . A 23 ASP N . 19328 1 245 . 1 1 24 24 GLY H H 1 10.03 0.02 . 1 . . . A 24 GLY H . 19328 1 246 . 1 1 24 24 GLY HA2 H 1 3.71 0.02 . 2 . . . A 24 GLY HA2 . 19328 1 247 . 1 1 24 24 GLY HA3 H 1 4.31 0.02 . 2 . . . A 24 GLY HA3 . 19328 1 248 . 1 1 24 24 GLY C C 13 173.7 0.2 . 1 . . . A 24 GLY C . 19328 1 249 . 1 1 24 24 GLY CA C 13 43.7 0.2 . 1 . . . A 24 GLY CA . 19328 1 250 . 1 1 24 24 GLY N N 15 116.3 0.2 . 1 . . . A 24 GLY N . 19328 1 251 . 1 1 25 25 SER H H 1 8.86 0.02 . 1 . . . A 25 SER H . 19328 1 252 . 1 1 25 25 SER HA H 1 4.18 0.02 . 1 . . . A 25 SER HA . 19328 1 253 . 1 1 25 25 SER HB2 H 1 3.93 0.02 . 2 . . . A 25 SER HB2 . 19328 1 254 . 1 1 25 25 SER HB3 H 1 3.93 0.02 . 2 . . . A 25 SER HB3 . 19328 1 255 . 1 1 25 25 SER C C 13 176.6 0.2 . 1 . . . A 25 SER C . 19328 1 256 . 1 1 25 25 SER CA C 13 61.0 0.2 . 1 . . . A 25 SER CA . 19328 1 257 . 1 1 25 25 SER CB C 13 63.7 0.2 . 1 . . . A 25 SER CB . 19328 1 258 . 1 1 25 25 SER N N 15 116.5 0.2 . 1 . . . A 25 SER N . 19328 1 259 . 1 1 26 26 CYS H H 1 8.38 0.02 . 1 . . . A 26 CYS H . 19328 1 260 . 1 1 26 26 CYS HA H 1 4.40 0.02 . 1 . . . A 26 CYS HA . 19328 1 261 . 1 1 26 26 CYS HB2 H 1 3.20 0.02 . 2 . . . A 26 CYS HB2 . 19328 1 262 . 1 1 26 26 CYS HB3 H 1 2.79 0.02 . 2 . . . A 26 CYS HB3 . 19328 1 263 . 1 1 26 26 CYS C C 13 176.5 0.2 . 1 . . . A 26 CYS C . 19328 1 264 . 1 1 26 26 CYS CA C 13 60.8 0.2 . 1 . . . A 26 CYS CA . 19328 1 265 . 1 1 26 26 CYS CB C 13 29.6 0.2 . 1 . . . A 26 CYS CB . 19328 1 266 . 1 1 26 26 CYS N N 15 122.0 0.2 . 1 . . . A 26 CYS N . 19328 1 267 . 1 1 27 27 ASN H H 1 7.47 0.02 . 1 . . . A 27 ASN H . 19328 1 268 . 1 1 27 27 ASN HA H 1 4.82 0.02 . 1 . . . A 27 ASN HA . 19328 1 269 . 1 1 27 27 ASN HB2 H 1 2.71 0.02 . 2 . . . A 27 ASN HB2 . 19328 1 270 . 1 1 27 27 ASN HB3 H 1 3.07 0.02 . 2 . . . A 27 ASN HB3 . 19328 1 271 . 1 1 27 27 ASN HD21 H 1 7.55 0.02 . 2 . . . A 27 ASN HD21 . 19328 1 272 . 1 1 27 27 ASN HD22 H 1 6.78 0.02 . 2 . . . A 27 ASN HD22 . 19328 1 273 . 1 1 27 27 ASN C C 13 174.9 0.2 . 1 . . . A 27 ASN C . 19328 1 274 . 1 1 27 27 ASN CA C 13 54.8 0.2 . 1 . . . A 27 ASN CA . 19328 1 275 . 1 1 27 27 ASN CB C 13 39.5 0.2 . 1 . . . A 27 ASN CB . 19328 1 276 . 1 1 27 27 ASN CG C 13 177.7 0.2 . 1 . . . A 27 ASN CG . 19328 1 277 . 1 1 27 27 ASN N N 15 117.0 0.2 . 1 . . . A 27 ASN N . 19328 1 278 . 1 1 27 27 ASN ND2 N 15 111.5 0.2 . 1 . . . A 27 ASN ND2 . 19328 1 279 . 1 1 28 28 GLN H H 1 9.14 0.02 . 1 . . . A 28 GLN H . 19328 1 280 . 1 1 28 28 GLN HA H 1 4.36 0.02 . 1 . . . A 28 GLN HA . 19328 1 281 . 1 1 28 28 GLN HB2 H 1 2.38 0.02 . 2 . . . A 28 GLN HB2 . 19328 1 282 . 1 1 28 28 GLN HB3 H 1 1.75 0.02 . 2 . . . A 28 GLN HB3 . 19328 1 283 . 1 1 28 28 GLN HG2 H 1 2.56 0.02 . 2 . . . A 28 GLN HG2 . 19328 1 284 . 1 1 28 28 GLN HG3 H 1 2.24 0.02 . 2 . . . A 28 GLN HG3 . 19328 1 285 . 1 1 28 28 GLN HE21 H 1 7.91 0.02 . 2 . . . A 28 GLN HE21 . 19328 1 286 . 1 1 28 28 GLN HE22 H 1 6.94 0.02 . 2 . . . A 28 GLN HE22 . 19328 1 287 . 1 1 28 28 GLN C C 13 174.6 0.2 . 1 . . . A 28 GLN C . 19328 1 288 . 1 1 28 28 GLN CA C 13 57.1 0.2 . 1 . . . A 28 GLN CA . 19328 1 289 . 1 1 28 28 GLN CB C 13 31.5 0.2 . 1 . . . A 28 GLN CB . 19328 1 290 . 1 1 28 28 GLN CG C 13 35.8 0.2 . 1 . . . A 28 GLN CG . 19328 1 291 . 1 1 28 28 GLN CD C 13 180.6 0.2 . 1 . . . A 28 GLN CD . 19328 1 292 . 1 1 28 28 GLN N N 15 120.7 0.2 . 1 . . . A 28 GLN N . 19328 1 293 . 1 1 28 28 GLN NE2 N 15 112.4 0.2 . 1 . . . A 28 GLN NE2 . 19328 1 294 . 1 1 29 29 TRP H H 1 8.32 0.02 . 1 . . . A 29 TRP H . 19328 1 295 . 1 1 29 29 TRP HA H 1 4.95 0.02 . 1 . . . A 29 TRP HA . 19328 1 296 . 1 1 29 29 TRP HB2 H 1 3.07 0.02 . 2 . . . A 29 TRP HB2 . 19328 1 297 . 1 1 29 29 TRP HB3 H 1 2.75 0.02 . 2 . . . A 29 TRP HB3 . 19328 1 298 . 1 1 29 29 TRP HD1 H 1 7.22 0.02 . 1 . . . A 29 TRP HD1 . 19328 1 299 . 1 1 29 29 TRP HE1 H 1 10.05 0.02 . 1 . . . A 29 TRP HE1 . 19328 1 300 . 1 1 29 29 TRP HE3 H 1 7.41 0.02 . 1 . . . A 29 TRP HE3 . 19328 1 301 . 1 1 29 29 TRP HZ2 H 1 7.35 0.02 . 1 . . . A 29 TRP HZ2 . 19328 1 302 . 1 1 29 29 TRP HZ3 H 1 7.00 0.02 . 1 . . . A 29 TRP HZ3 . 19328 1 303 . 1 1 29 29 TRP HH2 H 1 7.20 0.02 . 1 . . . A 29 TRP HH2 . 19328 1 304 . 1 1 29 29 TRP C C 13 175.4 0.2 . 1 . . . A 29 TRP C . 19328 1 305 . 1 1 29 29 TRP CA C 13 57.1 0.2 . 1 . . . A 29 TRP CA . 19328 1 306 . 1 1 29 29 TRP CB C 13 30.5 0.2 . 1 . . . A 29 TRP CB . 19328 1 307 . 1 1 29 29 TRP CD1 C 13 127.1 0.2 . 1 . . . A 29 TRP CD1 . 19328 1 308 . 1 1 29 29 TRP CE3 C 13 119.5 0.2 . 1 . . . A 29 TRP CE3 . 19328 1 309 . 1 1 29 29 TRP CZ2 C 13 115.4 0.2 . 1 . . . A 29 TRP CZ2 . 19328 1 310 . 1 1 29 29 TRP CZ3 C 13 121.8 0.2 . 1 . . . A 29 TRP CZ3 . 19328 1 311 . 1 1 29 29 TRP CH2 C 13 124.7 0.2 . 1 . . . A 29 TRP CH2 . 19328 1 312 . 1 1 29 29 TRP N N 15 119.6 0.2 . 1 . . . A 29 TRP N . 19328 1 313 . 1 1 29 29 TRP NE1 N 15 130.1 0.2 . 1 . . . A 29 TRP NE1 . 19328 1 314 . 1 1 30 30 PHE H H 1 9.78 0.02 . 1 . . . A 30 PHE H . 19328 1 315 . 1 1 30 30 PHE HA H 1 4.83 0.02 . 1 . . . A 30 PHE HA . 19328 1 316 . 1 1 30 30 PHE HB2 H 1 3.03 0.02 . 2 . . . A 30 PHE HB2 . 19328 1 317 . 1 1 30 30 PHE HB3 H 1 2.71 0.02 . 2 . . . A 30 PHE HB3 . 19328 1 318 . 1 1 30 30 PHE HD1 H 1 7.37 0.02 . 3 . . . A 30 PHE HD1 . 19328 1 319 . 1 1 30 30 PHE HD2 H 1 7.37 0.02 . 3 . . . A 30 PHE HD2 . 19328 1 320 . 1 1 30 30 PHE HE1 H 1 7.19 0.02 . 3 . . . A 30 PHE HE1 . 19328 1 321 . 1 1 30 30 PHE HE2 H 1 7.19 0.02 . 3 . . . A 30 PHE HE2 . 19328 1 322 . 1 1 30 30 PHE HZ H 1 7.67 0.02 . 1 . . . A 30 PHE HZ . 19328 1 323 . 1 1 30 30 PHE C C 13 176.6 0.2 . 1 . . . A 30 PHE C . 19328 1 324 . 1 1 30 30 PHE CA C 13 56.4 0.2 . 1 . . . A 30 PHE CA . 19328 1 325 . 1 1 30 30 PHE CB C 13 43.0 0.2 . 1 . . . A 30 PHE CB . 19328 1 326 . 1 1 30 30 PHE CD1 C 13 132.8 0.2 . 3 . . . A 30 PHE CD1 . 19328 1 327 . 1 1 30 30 PHE CD2 C 13 132.8 0.2 . 3 . . . A 30 PHE CD2 . 19328 1 328 . 1 1 30 30 PHE CE1 C 13 131.1 0.2 . 3 . . . A 30 PHE CE1 . 19328 1 329 . 1 1 30 30 PHE CE2 C 13 131.1 0.2 . 3 . . . A 30 PHE CE2 . 19328 1 330 . 1 1 30 30 PHE CZ C 13 130.2 0.2 . 1 . . . A 30 PHE CZ . 19328 1 331 . 1 1 30 30 PHE N N 15 119.6 0.2 . 1 . . . A 30 PHE N . 19328 1 332 . 1 1 31 31 HIS H H 1 9.05 0.02 . 1 . . . A 31 HIS H . 19328 1 333 . 1 1 31 31 HIS HA H 1 4.23 0.02 . 1 . . . A 31 HIS HA . 19328 1 334 . 1 1 31 31 HIS HB2 H 1 2.99 0.02 . 2 . . . A 31 HIS HB2 . 19328 1 335 . 1 1 31 31 HIS HB3 H 1 4.53 0.02 . 2 . . . A 31 HIS HB3 . 19328 1 336 . 1 1 31 31 HIS HE1 H 1 7.92 0.02 . 1 . . . A 31 HIS HE1 . 19328 1 337 . 1 1 31 31 HIS C C 13 177.4 0.2 . 1 . . . A 31 HIS C . 19328 1 338 . 1 1 31 31 HIS CA C 13 57.1 0.2 . 1 . . . A 31 HIS CA . 19328 1 339 . 1 1 31 31 HIS CB C 13 29.8 0.2 . 1 . . . A 31 HIS CB . 19328 1 340 . 1 1 31 31 HIS CE1 C 13 138.1 0.2 . 1 . . . A 31 HIS CE1 . 19328 1 341 . 1 1 31 31 HIS N N 15 123.6 0.2 . 1 . . . A 31 HIS N . 19328 1 342 . 1 1 32 32 GLN H H 1 8.40 0.02 . 1 . . . A 32 GLN H . 19328 1 343 . 1 1 32 32 GLN HA H 1 3.52 0.02 . 1 . . . A 32 GLN HA . 19328 1 344 . 1 1 32 32 GLN HB2 H 1 2.47 0.02 . 2 . . . A 32 GLN HB2 . 19328 1 345 . 1 1 32 32 GLN HB3 H 1 1.63 0.02 . 2 . . . A 32 GLN HB3 . 19328 1 346 . 1 1 32 32 GLN HG2 H 1 1.73 0.02 . 2 . . . A 32 GLN HG2 . 19328 1 347 . 1 1 32 32 GLN HG3 H 1 1.85 0.02 . 2 . . . A 32 GLN HG3 . 19328 1 348 . 1 1 32 32 GLN HE21 H 1 6.77 0.02 . 2 . . . A 32 GLN HE21 . 19328 1 349 . 1 1 32 32 GLN HE22 H 1 6.75 0.02 . 2 . . . A 32 GLN HE22 . 19328 1 350 . 1 1 32 32 GLN C C 13 179.1 0.2 . 1 . . . A 32 GLN C . 19328 1 351 . 1 1 32 32 GLN CA C 13 60.6 0.2 . 1 . . . A 32 GLN CA . 19328 1 352 . 1 1 32 32 GLN CB C 13 26.9 0.2 . 1 . . . A 32 GLN CB . 19328 1 353 . 1 1 32 32 GLN CG C 13 35.0 0.2 . 1 . . . A 32 GLN CG . 19328 1 354 . 1 1 32 32 GLN N N 15 124.1 0.2 . 1 . . . A 32 GLN N . 19328 1 355 . 1 1 32 32 GLN NE2 N 15 106.8 0.2 . 1 . . . A 32 GLN NE2 . 19328 1 356 . 1 1 33 33 VAL H H 1 8.83 0.02 . 1 . . . A 33 VAL H . 19328 1 357 . 1 1 33 33 VAL HA H 1 4.07 0.02 . 1 . . . A 33 VAL HA . 19328 1 358 . 1 1 33 33 VAL HB H 1 2.15 0.02 . 1 . . . A 33 VAL HB . 19328 1 359 . 1 1 33 33 VAL HG11 H 1 1.03 0.02 . 2 . . . A 33 VAL HG11 . 19328 1 360 . 1 1 33 33 VAL HG12 H 1 1.03 0.02 . 2 . . . A 33 VAL HG12 . 19328 1 361 . 1 1 33 33 VAL HG13 H 1 1.03 0.02 . 2 . . . A 33 VAL HG13 . 19328 1 362 . 1 1 33 33 VAL HG21 H 1 1.04 0.02 . 2 . . . A 33 VAL HG21 . 19328 1 363 . 1 1 33 33 VAL HG22 H 1 1.04 0.02 . 2 . . . A 33 VAL HG22 . 19328 1 364 . 1 1 33 33 VAL HG23 H 1 1.04 0.02 . 2 . . . A 33 VAL HG23 . 19328 1 365 . 1 1 33 33 VAL C C 13 178.2 0.2 . 1 . . . A 33 VAL C . 19328 1 366 . 1 1 33 33 VAL CA C 13 64.4 0.2 . 1 . . . A 33 VAL CA . 19328 1 367 . 1 1 33 33 VAL CB C 13 31.6 0.2 . 1 . . . A 33 VAL CB . 19328 1 368 . 1 1 33 33 VAL CG1 C 13 20.93 0.2 . 2 . . . A 33 VAL CG1 . 19328 1 369 . 1 1 33 33 VAL CG2 C 13 19.9 0.2 . 2 . . . A 33 VAL CG2 . 19328 1 370 . 1 1 33 33 VAL N N 15 112.8 0.2 . 1 . . . A 33 VAL N . 19328 1 371 . 1 1 34 34 CYS H H 1 6.90 0.02 . 1 . . . A 34 CYS H . 19328 1 372 . 1 1 34 34 CYS HA H 1 4.08 0.02 . 1 . . . A 34 CYS HA . 19328 1 373 . 1 1 34 34 CYS HB2 H 1 3.16 0.02 . 2 . . . A 34 CYS HB2 . 19328 1 374 . 1 1 34 34 CYS HB3 H 1 3.12 0.02 . 2 . . . A 34 CYS HB3 . 19328 1 375 . 1 1 34 34 CYS C C 13 177.1 0.2 . 1 . . . A 34 CYS C . 19328 1 376 . 1 1 34 34 CYS CA C 13 62.5 0.2 . 1 . . . A 34 CYS CA . 19328 1 377 . 1 1 34 34 CYS CB C 13 29.5 0.2 . 1 . . . A 34 CYS CB . 19328 1 378 . 1 1 34 34 CYS N N 15 120.9 0.2 . 1 . . . A 34 CYS N . 19328 1 379 . 1 1 35 35 VAL H H 1 7.13 0.02 . 1 . . . A 35 VAL H . 19328 1 380 . 1 1 35 35 VAL HA H 1 4.56 0.02 . 1 . . . A 35 VAL HA . 19328 1 381 . 1 1 35 35 VAL HB H 1 2.37 0.02 . 1 . . . A 35 VAL HB . 19328 1 382 . 1 1 35 35 VAL HG11 H 1 0.73 0.02 . 2 . . . A 35 VAL HG11 . 19328 1 383 . 1 1 35 35 VAL HG12 H 1 0.73 0.02 . 2 . . . A 35 VAL HG12 . 19328 1 384 . 1 1 35 35 VAL HG13 H 1 0.73 0.02 . 2 . . . A 35 VAL HG13 . 19328 1 385 . 1 1 35 35 VAL HG21 H 1 0.34 0.02 . 2 . . . A 35 VAL HG21 . 19328 1 386 . 1 1 35 35 VAL HG22 H 1 0.34 0.02 . 2 . . . A 35 VAL HG22 . 19328 1 387 . 1 1 35 35 VAL HG23 H 1 0.34 0.02 . 2 . . . A 35 VAL HG23 . 19328 1 388 . 1 1 35 35 VAL C C 13 176.2 0.2 . 1 . . . A 35 VAL C . 19328 1 389 . 1 1 35 35 VAL CA C 13 60.1 0.2 . 1 . . . A 35 VAL CA . 19328 1 390 . 1 1 35 35 VAL CB C 13 31.8 0.2 . 1 . . . A 35 VAL CB . 19328 1 391 . 1 1 35 35 VAL CG1 C 13 22.5 0.2 . 2 . . . A 35 VAL CG1 . 19328 1 392 . 1 1 35 35 VAL CG2 C 13 17.9 0.2 . 2 . . . A 35 VAL CG2 . 19328 1 393 . 1 1 35 35 VAL N N 15 106.5 0.2 . 1 . . . A 35 VAL N . 19328 1 394 . 1 1 36 36 GLY H H 1 7.53 0.02 . 1 . . . A 36 GLY H . 19328 1 395 . 1 1 36 36 GLY HA2 H 1 3.84 0.02 . 2 . . . A 36 GLY HA2 . 19328 1 396 . 1 1 36 36 GLY HA3 H 1 3.95 0.02 . 2 . . . A 36 GLY HA3 . 19328 1 397 . 1 1 36 36 GLY C C 13 174.6 0.2 . 1 . . . A 36 GLY C . 19328 1 398 . 1 1 36 36 GLY CA C 13 46.9 0.2 . 1 . . . A 36 GLY CA . 19328 1 399 . 1 1 36 36 GLY N N 15 109.8 0.2 . 1 . . . A 36 GLY N . 19328 1 400 . 1 1 37 37 VAL H H 1 7.50 0.02 . 1 . . . A 37 VAL H . 19328 1 401 . 1 1 37 37 VAL HA H 1 4.33 0.02 . 1 . . . A 37 VAL HA . 19328 1 402 . 1 1 37 37 VAL HB H 1 1.55 0.02 . 1 . . . A 37 VAL HB . 19328 1 403 . 1 1 37 37 VAL HG11 H 1 0.78 0.02 . 2 . . . A 37 VAL HG11 . 19328 1 404 . 1 1 37 37 VAL HG12 H 1 0.78 0.02 . 2 . . . A 37 VAL HG12 . 19328 1 405 . 1 1 37 37 VAL HG13 H 1 0.78 0.02 . 2 . . . A 37 VAL HG13 . 19328 1 406 . 1 1 37 37 VAL HG21 H 1 0.62 0.02 . 2 . . . A 37 VAL HG21 . 19328 1 407 . 1 1 37 37 VAL HG22 H 1 0.62 0.02 . 2 . . . A 37 VAL HG22 . 19328 1 408 . 1 1 37 37 VAL HG23 H 1 0.62 0.02 . 2 . . . A 37 VAL HG23 . 19328 1 409 . 1 1 37 37 VAL C C 13 174 0.2 . 1 . . . A 37 VAL C . 19328 1 410 . 1 1 37 37 VAL CA C 13 60.8 0.2 . 1 . . . A 37 VAL CA . 19328 1 411 . 1 1 37 37 VAL CB C 13 34.2 0.2 . 1 . . . A 37 VAL CB . 19328 1 412 . 1 1 37 37 VAL CG1 C 13 21.5 0.2 . 2 . . . A 37 VAL CG1 . 19328 1 413 . 1 1 37 37 VAL CG2 C 13 22.1 0.2 . 2 . . . A 37 VAL CG2 . 19328 1 414 . 1 1 37 37 VAL N N 15 119.0 0.2 . 1 . . . A 37 VAL N . 19328 1 415 . 1 1 38 38 SER H H 1 7.90 0.02 . 1 . . . A 38 SER H . 19328 1 416 . 1 1 38 38 SER HA H 1 4.90 0.02 . 1 . . . A 38 SER HA . 19328 1 417 . 1 1 38 38 SER HB2 H 1 3.92 0.02 . 2 . . . A 38 SER HB2 . 19328 1 418 . 1 1 38 38 SER HB3 H 1 4.26 0.02 . 2 . . . A 38 SER HB3 . 19328 1 419 . 1 1 38 38 SER C C 13 174.1 0.2 . 1 . . . A 38 SER C . 19328 1 420 . 1 1 38 38 SER CA C 13 55.5 0.2 . 1 . . . A 38 SER CA . 19328 1 421 . 1 1 38 38 SER CB C 13 63.8 0.2 . 1 . . . A 38 SER CB . 19328 1 422 . 1 1 38 38 SER N N 15 122.0 0.2 . 1 . . . A 38 SER N . 19328 1 423 . 1 1 39 39 PRO HA H 1 4.36 0.02 . 1 . . . A 39 PRO HA . 19328 1 424 . 1 1 39 39 PRO HB2 H 1 1.94 0.02 . 2 . . . A 39 PRO HB2 . 19328 1 425 . 1 1 39 39 PRO HB3 H 1 2.44 0.02 . 2 . . . A 39 PRO HB3 . 19328 1 426 . 1 1 39 39 PRO HG2 H 1 2.14 0.02 . 2 . . . A 39 PRO HG2 . 19328 1 427 . 1 1 39 39 PRO HG3 H 1 2.14 0.02 . 2 . . . A 39 PRO HG3 . 19328 1 428 . 1 1 39 39 PRO HD2 H 1 3.86 0.02 . 2 . . . A 39 PRO HD2 . 19328 1 429 . 1 1 39 39 PRO HD3 H 1 3.96 0.02 . 2 . . . A 39 PRO HD3 . 19328 1 430 . 1 1 39 39 PRO C C 13 179.3 0.2 . 1 . . . A 39 PRO C . 19328 1 431 . 1 1 39 39 PRO CA C 13 65.6 0.2 . 1 . . . A 39 PRO CA . 19328 1 432 . 1 1 39 39 PRO CB C 13 31.9 0.2 . 1 . . . A 39 PRO CB . 19328 1 433 . 1 1 39 39 PRO CG C 13 27.9 0.2 . 1 . . . A 39 PRO CG . 19328 1 434 . 1 1 39 39 PRO CD C 13 50.4 0.2 . 1 . . . A 39 PRO CD . 19328 1 435 . 1 1 40 40 GLU H H 1 8.49 0.02 . 1 . . . A 40 GLU H . 19328 1 436 . 1 1 40 40 GLU HA H 1 4.16 0.02 . 1 . . . A 40 GLU HA . 19328 1 437 . 1 1 40 40 GLU HB2 H 1 1.97 0.02 . 2 . . . A 40 GLU HB2 . 19328 1 438 . 1 1 40 40 GLU HB3 H 1 2.04 0.02 . 2 . . . A 40 GLU HB3 . 19328 1 439 . 1 1 40 40 GLU HG2 H 1 2.31 0.02 . 2 . . . A 40 GLU HG2 . 19328 1 440 . 1 1 40 40 GLU HG3 H 1 2.31 0.02 . 2 . . . A 40 GLU HG3 . 19328 1 441 . 1 1 40 40 GLU C C 13 178.5 0.2 . 1 . . . A 40 GLU C . 19328 1 442 . 1 1 40 40 GLU CA C 13 59.1 0.2 . 1 . . . A 40 GLU CA . 19328 1 443 . 1 1 40 40 GLU CB C 13 29.2 0.2 . 1 . . . A 40 GLU CB . 19328 1 444 . 1 1 40 40 GLU CG C 13 36.3 0.2 . 1 . . . A 40 GLU CG . 19328 1 445 . 1 1 40 40 GLU N N 15 116.6 0.2 . 1 . . . A 40 GLU N . 19328 1 446 . 1 1 41 41 MET H H 1 7.69 0.02 . 1 . . . A 41 MET H . 19328 1 447 . 1 1 41 41 MET HA H 1 4.26 0.02 . 1 . . . A 41 MET HA . 19328 1 448 . 1 1 41 41 MET HB2 H 1 2.21 0.02 . 2 . . . A 41 MET HB2 . 19328 1 449 . 1 1 41 41 MET HB3 H 1 2.21 0.02 . 2 . . . A 41 MET HB3 . 19328 1 450 . 1 1 41 41 MET HG2 H 1 2.67 0.02 . 2 . . . A 41 MET HG2 . 19328 1 451 . 1 1 41 41 MET HG3 H 1 2.55 0.02 . 2 . . . A 41 MET HG3 . 19328 1 452 . 1 1 41 41 MET HE1 H 1 2.18 0.02 . 1 . . . A 41 MET HE1 . 19328 1 453 . 1 1 41 41 MET HE2 H 1 2.18 0.02 . 1 . . . A 41 MET HE2 . 19328 1 454 . 1 1 41 41 MET HE3 H 1 2.18 0.02 . 1 . . . A 41 MET HE3 . 19328 1 455 . 1 1 41 41 MET C C 13 178.2 0.2 . 1 . . . A 41 MET C . 19328 1 456 . 1 1 41 41 MET CA C 13 57.3 0.2 . 1 . . . A 41 MET CA . 19328 1 457 . 1 1 41 41 MET CB C 13 33.4 0.2 . 1 . . . A 41 MET CB . 19328 1 458 . 1 1 41 41 MET CG C 13 32.1 0.2 . 1 . . . A 41 MET CG . 19328 1 459 . 1 1 41 41 MET N N 15 119.3 0.2 . 1 . . . A 41 MET N . 19328 1 460 . 1 1 42 42 ALA H H 1 8.27 0.02 . 1 . . . A 42 ALA H . 19328 1 461 . 1 1 42 42 ALA HA H 1 4.14 0.02 . 1 . . . A 42 ALA HA . 19328 1 462 . 1 1 42 42 ALA HB1 H 1 1.42 0.02 . 1 . . . A 42 ALA HB1 . 19328 1 463 . 1 1 42 42 ALA HB2 H 1 1.42 0.02 . 1 . . . A 42 ALA HB2 . 19328 1 464 . 1 1 42 42 ALA HB3 H 1 1.42 0.02 . 1 . . . A 42 ALA HB3 . 19328 1 465 . 1 1 42 42 ALA C C 13 179.1 0.2 . 1 . . . A 42 ALA C . 19328 1 466 . 1 1 42 42 ALA CA C 13 54.4 0.2 . 1 . . . A 42 ALA CA . 19328 1 467 . 1 1 42 42 ALA CB C 13 18.6 0.2 . 1 . . . A 42 ALA CB . 19328 1 468 . 1 1 42 42 ALA N N 15 121.9 0.2 . 1 . . . A 42 ALA N . 19328 1 469 . 1 1 43 43 GLU H H 1 7.80 0.02 . 1 . . . A 43 GLU H . 19328 1 470 . 1 1 43 43 GLU HA H 1 4.33 0.02 . 1 . . . A 43 GLU HA . 19328 1 471 . 1 1 43 43 GLU HB2 H 1 2.16 0.02 . 2 . . . A 43 GLU HB2 . 19328 1 472 . 1 1 43 43 GLU HB3 H 1 2.10 0.02 . 2 . . . A 43 GLU HB3 . 19328 1 473 . 1 1 43 43 GLU HG2 H 1 2.31 0.02 . 2 . . . A 43 GLU HG2 . 19328 1 474 . 1 1 43 43 GLU HG3 H 1 2.40 0.02 . 2 . . . A 43 GLU HG3 . 19328 1 475 . 1 1 43 43 GLU C C 13 177.6 0.2 . 1 . . . A 43 GLU C . 19328 1 476 . 1 1 43 43 GLU CA C 13 57.5 0.2 . 1 . . . A 43 GLU CA . 19328 1 477 . 1 1 43 43 GLU CB C 13 30.2 0.2 . 1 . . . A 43 GLU CB . 19328 1 478 . 1 1 43 43 GLU CG C 13 36.1 0.2 . 1 . . . A 43 GLU CG . 19328 1 479 . 1 1 43 43 GLU N N 15 115.1 0.2 . 1 . . . A 43 GLU N . 19328 1 480 . 1 1 44 44 LYS H H 1 7.77 0.02 . 1 . . . A 44 LYS H . 19328 1 481 . 1 1 44 44 LYS HA H 1 4.33 0.02 . 1 . . . A 44 LYS HA . 19328 1 482 . 1 1 44 44 LYS HB2 H 1 1.92 0.02 . 2 . . . A 44 LYS HB2 . 19328 1 483 . 1 1 44 44 LYS HB3 H 1 1.91 0.02 . 2 . . . A 44 LYS HB3 . 19328 1 484 . 1 1 44 44 LYS HG2 H 1 1.57 0.02 . 2 . . . A 44 LYS HG2 . 19328 1 485 . 1 1 44 44 LYS HG3 H 1 1.50 0.02 . 2 . . . A 44 LYS HG3 . 19328 1 486 . 1 1 44 44 LYS HD2 H 1 1.71 0.02 . 2 . . . A 44 LYS HD2 . 19328 1 487 . 1 1 44 44 LYS HD3 H 1 1.71 0.02 . 2 . . . A 44 LYS HD3 . 19328 1 488 . 1 1 44 44 LYS HE2 H 1 3.02 0.02 . 2 . . . A 44 LYS HE2 . 19328 1 489 . 1 1 44 44 LYS HE3 H 1 3.03 0.02 . 2 . . . A 44 LYS HE3 . 19328 1 490 . 1 1 44 44 LYS C C 13 176.2 0.2 . 1 . . . A 44 LYS C . 19328 1 491 . 1 1 44 44 LYS CA C 13 57.5 0.2 . 1 . . . A 44 LYS CA . 19328 1 492 . 1 1 44 44 LYS CB C 13 34.4 0.2 . 1 . . . A 44 LYS CB . 19328 1 493 . 1 1 44 44 LYS CG C 13 25.3 0.2 . 1 . . . A 44 LYS CG . 19328 1 494 . 1 1 44 44 LYS CD C 13 29.2 0.2 . 1 . . . A 44 LYS CD . 19328 1 495 . 1 1 44 44 LYS CE C 13 42.0 0.2 . 1 . . . A 44 LYS CE . 19328 1 496 . 1 1 44 44 LYS N N 15 117.6 0.2 . 1 . . . A 44 LYS N . 19328 1 497 . 1 1 45 45 GLU H H 1 8.10 0.02 . 1 . . . A 45 GLU H . 19328 1 498 . 1 1 45 45 GLU HA H 1 4.63 0.02 . 1 . . . A 45 GLU HA . 19328 1 499 . 1 1 45 45 GLU HB2 H 1 2.13 0.02 . 2 . . . A 45 GLU HB2 . 19328 1 500 . 1 1 45 45 GLU HB3 H 1 1.96 0.02 . 2 . . . A 45 GLU HB3 . 19328 1 501 . 1 1 45 45 GLU HG2 H 1 2.29 0.02 . 2 . . . A 45 GLU HG2 . 19328 1 502 . 1 1 45 45 GLU HG3 H 1 2.29 0.02 . 2 . . . A 45 GLU HG3 . 19328 1 503 . 1 1 45 45 GLU C C 13 175.4 0.2 . 1 . . . A 45 GLU C . 19328 1 504 . 1 1 45 45 GLU CA C 13 54.9 0.2 . 1 . . . A 45 GLU CA . 19328 1 505 . 1 1 45 45 GLU CB C 13 32.02 0.2 . 1 . . . A 45 GLU CB . 19328 1 506 . 1 1 45 45 GLU CG C 13 35.7 0.2 . 1 . . . A 45 GLU CG . 19328 1 507 . 1 1 45 45 GLU N N 15 118.2 0.2 . 1 . . . A 45 GLU N . 19328 1 508 . 1 1 46 46 ASP H H 1 8.46 0.02 . 1 . . . A 46 ASP H . 19328 1 509 . 1 1 46 46 ASP HA H 1 4.78 0.02 . 1 . . . A 46 ASP HA . 19328 1 510 . 1 1 46 46 ASP HB2 H 1 2.49 0.02 . 2 . . . A 46 ASP HB2 . 19328 1 511 . 1 1 46 46 ASP HB3 H 1 2.49 0.02 . 2 . . . A 46 ASP HB3 . 19328 1 512 . 1 1 46 46 ASP C C 13 175.9 0.2 . 1 . . . A 46 ASP C . 19328 1 513 . 1 1 46 46 ASP CA C 13 54.2 0.2 . 1 . . . A 46 ASP CA . 19328 1 514 . 1 1 46 46 ASP CB C 13 41.0 0.2 . 1 . . . A 46 ASP CB . 19328 1 515 . 1 1 46 46 ASP N N 15 121.6 0.2 . 1 . . . A 46 ASP N . 19328 1 516 . 1 1 47 47 TYR H H 1 9.08 0.02 . 1 . . . A 47 TYR H . 19328 1 517 . 1 1 47 47 TYR HA H 1 4.55 0.02 . 1 . . . A 47 TYR HA . 19328 1 518 . 1 1 47 47 TYR HB2 H 1 2.94 0.02 . 2 . . . A 47 TYR HB2 . 19328 1 519 . 1 1 47 47 TYR HB3 H 1 2.71 0.02 . 2 . . . A 47 TYR HB3 . 19328 1 520 . 1 1 47 47 TYR HD1 H 1 6.72 0.02 . 3 . . . A 47 TYR HD1 . 19328 1 521 . 1 1 47 47 TYR HD2 H 1 6.72 0.02 . 3 . . . A 47 TYR HD2 . 19328 1 522 . 1 1 47 47 TYR HE1 H 1 6.11 0.02 . 3 . . . A 47 TYR HE1 . 19328 1 523 . 1 1 47 47 TYR HE2 H 1 6.11 0.02 . 3 . . . A 47 TYR HE2 . 19328 1 524 . 1 1 47 47 TYR C C 13 172.2 0.2 . 1 . . . A 47 TYR C . 19328 1 525 . 1 1 47 47 TYR CA C 13 58.0 0.2 . 1 . . . A 47 TYR CA . 19328 1 526 . 1 1 47 47 TYR CB C 13 39.8 0.2 . 1 . . . A 47 TYR CB . 19328 1 527 . 1 1 47 47 TYR CD1 C 13 132.7 0.2 . 3 . . . A 47 TYR CD1 . 19328 1 528 . 1 1 47 47 TYR CD2 C 13 132.7 0.2 . 3 . . . A 47 TYR CD2 . 19328 1 529 . 1 1 47 47 TYR CE1 C 13 116.9 0.2 . 3 . . . A 47 TYR CE1 . 19328 1 530 . 1 1 47 47 TYR CE2 C 13 116.9 0.2 . 3 . . . A 47 TYR CE2 . 19328 1 531 . 1 1 47 47 TYR N N 15 124.6 0.2 . 1 . . . A 47 TYR N . 19328 1 532 . 1 1 48 48 ILE H H 1 7.33 0.02 . 1 . . . A 48 ILE H . 19328 1 533 . 1 1 48 48 ILE HA H 1 4.47 0.02 . 1 . . . A 48 ILE HA . 19328 1 534 . 1 1 48 48 ILE HB H 1 1.47 0.02 . 1 . . . A 48 ILE HB . 19328 1 535 . 1 1 48 48 ILE HG12 H 1 1.26 0.02 . 2 . . . A 48 ILE HG12 . 19328 1 536 . 1 1 48 48 ILE HG13 H 1 0.90 0.02 . 2 . . . A 48 ILE HG13 . 19328 1 537 . 1 1 48 48 ILE HG21 H 1 0.67 0.02 . 1 . . . A 48 ILE HG21 . 19328 1 538 . 1 1 48 48 ILE HG22 H 1 0.67 0.02 . 1 . . . A 48 ILE HG22 . 19328 1 539 . 1 1 48 48 ILE HG23 H 1 0.67 0.02 . 1 . . . A 48 ILE HG23 . 19328 1 540 . 1 1 48 48 ILE HD11 H 1 0.65 0.02 . 1 . . . A 48 ILE HD11 . 19328 1 541 . 1 1 48 48 ILE HD12 H 1 0.65 0.02 . 1 . . . A 48 ILE HD12 . 19328 1 542 . 1 1 48 48 ILE HD13 H 1 0.65 0.02 . 1 . . . A 48 ILE HD13 . 19328 1 543 . 1 1 48 48 ILE C C 13 174.8 0.2 . 1 . . . A 48 ILE C . 19328 1 544 . 1 1 48 48 ILE CA C 13 58.6 0.2 . 1 . . . A 48 ILE CA . 19328 1 545 . 1 1 48 48 ILE CB C 13 38.3 0.2 . 1 . . . A 48 ILE CB . 19328 1 546 . 1 1 48 48 ILE CG1 C 13 27.2 0.2 . 1 . . . A 48 ILE CG1 . 19328 1 547 . 1 1 48 48 ILE CG2 C 13 18.4 0.2 . 1 . . . A 48 ILE CG2 . 19328 1 548 . 1 1 48 48 ILE CD1 C 13 12.1 0.2 . 1 . . . A 48 ILE CD1 . 19328 1 549 . 1 1 48 48 ILE N N 15 128.0 0.2 . 1 . . . A 48 ILE N . 19328 1 550 . 1 1 49 49 CYS H H 1 9.26 0.02 . 1 . . . A 49 CYS H . 19328 1 551 . 1 1 49 49 CYS HA H 1 4.16 0.02 . 1 . . . A 49 CYS HA . 19328 1 552 . 1 1 49 49 CYS HB2 H 1 3.10 0.02 . 2 . . . A 49 CYS HB2 . 19328 1 553 . 1 1 49 49 CYS HB3 H 1 2.48 0.02 . 2 . . . A 49 CYS HB3 . 19328 1 554 . 1 1 49 49 CYS C C 13 176.4 0.2 . 1 . . . A 49 CYS C . 19328 1 555 . 1 1 49 49 CYS CA C 13 58.5 0.2 . 1 . . . A 49 CYS CA . 19328 1 556 . 1 1 49 49 CYS CB C 13 31.8 0.2 . 1 . . . A 49 CYS CB . 19328 1 557 . 1 1 49 49 CYS N N 15 130.1 0.2 . 1 . . . A 49 CYS N . 19328 1 558 . 1 1 50 50 VAL H H 1 7.89 0.02 . 1 . . . A 50 VAL H . 19328 1 559 . 1 1 50 50 VAL HA H 1 3.80 0.02 . 1 . . . A 50 VAL HA . 19328 1 560 . 1 1 50 50 VAL HB H 1 2.154 0.02 . 1 . . . A 50 VAL HB . 19328 1 561 . 1 1 50 50 VAL HG11 H 1 1.07 0.02 . 2 . . . A 50 VAL HG11 . 19328 1 562 . 1 1 50 50 VAL HG12 H 1 1.07 0.02 . 2 . . . A 50 VAL HG12 . 19328 1 563 . 1 1 50 50 VAL HG13 H 1 1.07 0.02 . 2 . . . A 50 VAL HG13 . 19328 1 564 . 1 1 50 50 VAL HG21 H 1 1.057 0.02 . 2 . . . A 50 VAL HG21 . 19328 1 565 . 1 1 50 50 VAL HG22 H 1 1.057 0.02 . 2 . . . A 50 VAL HG22 . 19328 1 566 . 1 1 50 50 VAL HG23 H 1 1.057 0.02 . 2 . . . A 50 VAL HG23 . 19328 1 567 . 1 1 50 50 VAL C C 13 177.9 0.2 . 1 . . . A 50 VAL C . 19328 1 568 . 1 1 50 50 VAL CA C 13 65.3 0.2 . 1 . . . A 50 VAL CA . 19328 1 569 . 1 1 50 50 VAL CB C 13 31.8 0.2 . 1 . . . A 50 VAL CB . 19328 1 570 . 1 1 50 50 VAL CG1 C 13 20.93 0.2 . 2 . . . A 50 VAL CG1 . 19328 1 571 . 1 1 50 50 VAL CG2 C 13 20.93 0.2 . 2 . . . A 50 VAL CG2 . 19328 1 572 . 1 1 50 50 VAL N N 15 116.1 0.2 . 1 . . . A 50 VAL N . 19328 1 573 . 1 1 51 51 ARG H H 1 8.24 0.02 . 1 . . . A 51 ARG H . 19328 1 574 . 1 1 51 51 ARG HA H 1 4.24 0.02 . 1 . . . A 51 ARG HA . 19328 1 575 . 1 1 51 51 ARG HB2 H 1 2.10 0.02 . 2 . . . A 51 ARG HB2 . 19328 1 576 . 1 1 51 51 ARG HB3 H 1 1.98 0.02 . 2 . . . A 51 ARG HB3 . 19328 1 577 . 1 1 51 51 ARG HG2 H 1 1.71 0.02 . 2 . . . A 51 ARG HG2 . 19328 1 578 . 1 1 51 51 ARG HG3 H 1 1.86 0.02 . 2 . . . A 51 ARG HG3 . 19328 1 579 . 1 1 51 51 ARG HD2 H 1 3.30 0.02 . 2 . . . A 51 ARG HD2 . 19328 1 580 . 1 1 51 51 ARG HD3 H 1 3.30 0.02 . 2 . . . A 51 ARG HD3 . 19328 1 581 . 1 1 51 51 ARG C C 13 178.9 0.2 . 1 . . . A 51 ARG C . 19328 1 582 . 1 1 51 51 ARG CA C 13 59.0 0.2 . 1 . . . A 51 ARG CA . 19328 1 583 . 1 1 51 51 ARG CB C 13 30.3 0.2 . 1 . . . A 51 ARG CB . 19328 1 584 . 1 1 51 51 ARG CG C 13 27.99 0.2 . 1 . . . A 51 ARG CG . 19328 1 585 . 1 1 51 51 ARG CD C 13 43.4 0.2 . 1 . . . A 51 ARG CD . 19328 1 586 . 1 1 51 51 ARG N N 15 121.8 0.2 . 1 . . . A 51 ARG N . 19328 1 587 . 1 1 52 52 CYS H H 1 8.67 0.02 . 1 . . . A 52 CYS H . 19328 1 588 . 1 1 52 52 CYS HA H 1 4.02 0.02 . 1 . . . A 52 CYS HA . 19328 1 589 . 1 1 52 52 CYS HB2 H 1 3.18 0.02 . 2 . . . A 52 CYS HB2 . 19328 1 590 . 1 1 52 52 CYS HB3 H 1 2.84 0.02 . 2 . . . A 52 CYS HB3 . 19328 1 591 . 1 1 52 52 CYS C C 13 176.5 0.2 . 1 . . . A 52 CYS C . 19328 1 592 . 1 1 52 52 CYS CA C 13 63.4 0.2 . 1 . . . A 52 CYS CA . 19328 1 593 . 1 1 52 52 CYS CB C 13 30.1 0.2 . 1 . . . A 52 CYS CB . 19328 1 594 . 1 1 52 52 CYS N N 15 123.7 0.2 . 1 . . . A 52 CYS N . 19328 1 595 . 1 1 53 53 THR H H 1 7.88 0.02 . 1 . . . A 53 THR H . 19328 1 596 . 1 1 53 53 THR HA H 1 3.86 0.02 . 1 . . . A 53 THR HA . 19328 1 597 . 1 1 53 53 THR HB H 1 4.10 0.02 . 1 . . . A 53 THR HB . 19328 1 598 . 1 1 53 53 THR HG21 H 1 1.13 0.02 . 1 . . . A 53 THR HG21 . 19328 1 599 . 1 1 53 53 THR HG22 H 1 1.13 0.02 . 1 . . . A 53 THR HG22 . 19328 1 600 . 1 1 53 53 THR HG23 H 1 1.13 0.02 . 1 . . . A 53 THR HG23 . 19328 1 601 . 1 1 53 53 THR C C 13 174.9 0.2 . 1 . . . A 53 THR C . 19328 1 602 . 1 1 53 53 THR CA C 13 65.2 0.2 . 1 . . . A 53 THR CA . 19328 1 603 . 1 1 53 53 THR CB C 13 69.4 0.2 . 1 . . . A 53 THR CB . 19328 1 604 . 1 1 53 53 THR CG2 C 13 21.0 0.2 . 1 . . . A 53 THR CG2 . 19328 1 605 . 1 1 53 53 THR N N 15 115.8 0.2 . 1 . . . A 53 THR N . 19328 1 606 . 1 1 54 54 VAL H H 1 7.57 0.02 . 1 . . . A 54 VAL H . 19328 1 607 . 1 1 54 54 VAL HA H 1 4.02 0.02 . 1 . . . A 54 VAL HA . 19328 1 608 . 1 1 54 54 VAL HB H 1 2.12 0.02 . 1 . . . A 54 VAL HB . 19328 1 609 . 1 1 54 54 VAL HG11 H 1 0.94 0.02 . 2 . . . A 54 VAL HG11 . 19328 1 610 . 1 1 54 54 VAL HG12 H 1 0.94 0.02 . 2 . . . A 54 VAL HG12 . 19328 1 611 . 1 1 54 54 VAL HG13 H 1 0.94 0.02 . 2 . . . A 54 VAL HG13 . 19328 1 612 . 1 1 54 54 VAL HG21 H 1 1.00 0.02 . 2 . . . A 54 VAL HG21 . 19328 1 613 . 1 1 54 54 VAL HG22 H 1 1.00 0.02 . 2 . . . A 54 VAL HG22 . 19328 1 614 . 1 1 54 54 VAL HG23 H 1 1.00 0.02 . 2 . . . A 54 VAL HG23 . 19328 1 615 . 1 1 54 54 VAL C C 13 176.6 0.2 . 1 . . . A 54 VAL C . 19328 1 616 . 1 1 54 54 VAL CA C 13 63.2 0.2 . 1 . . . A 54 VAL CA . 19328 1 617 . 1 1 54 54 VAL CB C 13 32.4 0.2 . 1 . . . A 54 VAL CB . 19328 1 618 . 1 1 54 54 VAL CG1 C 13 21.1 0.2 . 2 . . . A 54 VAL CG1 . 19328 1 619 . 1 1 54 54 VAL CG2 C 13 20.9 0.2 . 2 . . . A 54 VAL CG2 . 19328 1 620 . 1 1 54 54 VAL N N 15 120.9 0.2 . 1 . . . A 54 VAL N . 19328 1 621 . 1 1 55 55 LYS H H 1 8.13 0.02 . 1 . . . A 55 LYS H . 19328 1 622 . 1 1 55 55 LYS HA H 1 4.21 0.02 . 1 . . . A 55 LYS HA . 19328 1 623 . 1 1 55 55 LYS HB2 H 1 1.79 0.02 . 2 . . . A 55 LYS HB2 . 19328 1 624 . 1 1 55 55 LYS HB3 H 1 1.79 0.02 . 2 . . . A 55 LYS HB3 . 19328 1 625 . 1 1 55 55 LYS HG2 H 1 1.42 0.02 . 2 . . . A 55 LYS HG2 . 19328 1 626 . 1 1 55 55 LYS HG3 H 1 1.46 0.02 . 2 . . . A 55 LYS HG3 . 19328 1 627 . 1 1 55 55 LYS HD2 H 1 1.65 0.02 . 2 . . . A 55 LYS HD2 . 19328 1 628 . 1 1 55 55 LYS HD3 H 1 1.65 0.02 . 2 . . . A 55 LYS HD3 . 19328 1 629 . 1 1 55 55 LYS HE2 H 1 3.00 0.02 . 2 . . . A 55 LYS HE2 . 19328 1 630 . 1 1 55 55 LYS HE3 H 1 3.00 0.02 . 2 . . . A 55 LYS HE3 . 19328 1 631 . 1 1 55 55 LYS C C 13 176.7 0.2 . 1 . . . A 55 LYS C . 19328 1 632 . 1 1 55 55 LYS CA C 13 57.2 0.2 . 1 . . . A 55 LYS CA . 19328 1 633 . 1 1 55 55 LYS CB C 13 33.1 0.2 . 1 . . . A 55 LYS CB . 19328 1 634 . 1 1 55 55 LYS CG C 13 24.6 0.2 . 1 . . . A 55 LYS CG . 19328 1 635 . 1 1 55 55 LYS CD C 13 29.1 0.2 . 1 . . . A 55 LYS CD . 19328 1 636 . 1 1 55 55 LYS CE C 13 42.1 0.2 . 1 . . . A 55 LYS CE . 19328 1 637 . 1 1 55 55 LYS N N 15 123.1 0.2 . 1 . . . A 55 LYS N . 19328 1 638 . 1 1 56 56 ASP H H 1 8.30 0.02 . 1 . . . A 56 ASP H . 19328 1 639 . 1 1 56 56 ASP HA H 1 4.58 0.02 . 1 . . . A 56 ASP HA . 19328 1 640 . 1 1 56 56 ASP HB2 H 1 2.63 0.02 . 2 . . . A 56 ASP HB2 . 19328 1 641 . 1 1 56 56 ASP HB3 H 1 2.70 0.02 . 2 . . . A 56 ASP HB3 . 19328 1 642 . 1 1 56 56 ASP C C 13 175.6 0.2 . 1 . . . A 56 ASP C . 19328 1 643 . 1 1 56 56 ASP CA C 13 54.3 0.2 . 1 . . . A 56 ASP CA . 19328 1 644 . 1 1 56 56 ASP CB C 13 40.8 0.2 . 1 . . . A 56 ASP CB . 19328 1 645 . 1 1 56 56 ASP N N 15 119.6 0.2 . 1 . . . A 56 ASP N . 19328 1 646 . 1 1 57 57 ALA H H 1 7.89 0.02 . 1 . . . A 57 ALA H . 19328 1 647 . 1 1 57 57 ALA HA H 1 4.54 0.02 . 1 . . . A 57 ALA HA . 19328 1 648 . 1 1 57 57 ALA HB1 H 1 1.38 0.02 . 1 . . . A 57 ALA HB1 . 19328 1 649 . 1 1 57 57 ALA HB2 H 1 1.38 0.02 . 1 . . . A 57 ALA HB2 . 19328 1 650 . 1 1 57 57 ALA HB3 H 1 1.38 0.02 . 1 . . . A 57 ALA HB3 . 19328 1 651 . 1 1 57 57 ALA CA C 13 51.1 0.2 . 1 . . . A 57 ALA CA . 19328 1 652 . 1 1 57 57 ALA CB C 13 18.2 0.2 . 1 . . . A 57 ALA CB . 19328 1 653 . 1 1 57 57 ALA N N 15 124.7 0.2 . 1 . . . A 57 ALA N . 19328 1 654 . 1 1 58 58 PRO HA H 1 4.45 0.02 . 1 . . . A 58 PRO HA . 19328 1 655 . 1 1 58 58 PRO HB2 H 1 2.32 0.02 . 2 . . . A 58 PRO HB2 . 19328 1 656 . 1 1 58 58 PRO HB3 H 1 1.92 0.02 . 2 . . . A 58 PRO HB3 . 19328 1 657 . 1 1 58 58 PRO HG2 H 1 2.03 0.02 . 2 . . . A 58 PRO HG2 . 19328 1 658 . 1 1 58 58 PRO HG3 H 1 2.03 0.02 . 2 . . . A 58 PRO HG3 . 19328 1 659 . 1 1 58 58 PRO HD2 H 1 3.80 0.02 . 2 . . . A 58 PRO HD2 . 19328 1 660 . 1 1 58 58 PRO HD3 H 1 3.66 0.02 . 2 . . . A 58 PRO HD3 . 19328 1 661 . 1 1 58 58 PRO C C 13 177.1 0.2 . 1 . . . A 58 PRO C . 19328 1 662 . 1 1 58 58 PRO CA C 13 63.5 0.2 . 1 . . . A 58 PRO CA . 19328 1 663 . 1 1 58 58 PRO CB C 13 31.9 0.2 . 1 . . . A 58 PRO CB . 19328 1 664 . 1 1 58 58 PRO CG C 13 27.4 0.2 . 1 . . . A 58 PRO CG . 19328 1 665 . 1 1 58 58 PRO CD C 13 50.6 0.2 . 1 . . . A 58 PRO CD . 19328 1 666 . 1 1 59 59 SER H H 1 8.32 0.02 . 1 . . . A 59 SER H . 19328 1 667 . 1 1 59 59 SER HA H 1 4.43 0.02 . 1 . . . A 59 SER HA . 19328 1 668 . 1 1 59 59 SER HB2 H 1 3.89 0.02 . 2 . . . A 59 SER HB2 . 19328 1 669 . 1 1 59 59 SER HB3 H 1 3.89 0.02 . 2 . . . A 59 SER HB3 . 19328 1 670 . 1 1 59 59 SER C C 13 174.5 0.2 . 1 . . . A 59 SER C . 19328 1 671 . 1 1 59 59 SER CA C 13 58.3 0.2 . 1 . . . A 59 SER CA . 19328 1 672 . 1 1 59 59 SER CB C 13 63.7 0.2 . 1 . . . A 59 SER CB . 19328 1 673 . 1 1 59 59 SER N N 15 115.5 0.2 . 1 . . . A 59 SER N . 19328 1 674 . 1 1 60 60 ARG H H 1 8.30 0.02 . 1 . . . A 60 ARG H . 19328 1 675 . 1 1 60 60 ARG HA H 1 4.39 0.02 . 1 . . . A 60 ARG HA . 19328 1 676 . 1 1 60 60 ARG HB2 H 1 1.91 0.02 . 2 . . . A 60 ARG HB2 . 19328 1 677 . 1 1 60 60 ARG HB3 H 1 1.77 0.02 . 2 . . . A 60 ARG HB3 . 19328 1 678 . 1 1 60 60 ARG HG2 H 1 1.66 0.02 . 2 . . . A 60 ARG HG2 . 19328 1 679 . 1 1 60 60 ARG HG3 H 1 1.66 0.02 . 2 . . . A 60 ARG HG3 . 19328 1 680 . 1 1 60 60 ARG HD2 H 1 3.21 0.02 . 2 . . . A 60 ARG HD2 . 19328 1 681 . 1 1 60 60 ARG HD3 H 1 3.21 0.02 . 2 . . . A 60 ARG HD3 . 19328 1 682 . 1 1 60 60 ARG C C 13 175.3 0.2 . 1 . . . A 60 ARG C . 19328 1 683 . 1 1 60 60 ARG CA C 13 55.9 0.2 . 1 . . . A 60 ARG CA . 19328 1 684 . 1 1 60 60 ARG CB C 13 30.8 0.2 . 1 . . . A 60 ARG CB . 19328 1 685 . 1 1 60 60 ARG CG C 13 27.0 0.2 . 1 . . . A 60 ARG CG . 19328 1 686 . 1 1 60 60 ARG CD C 13 43.2 0.2 . 1 . . . A 60 ARG CD . 19328 1 687 . 1 1 60 60 ARG N N 15 123.6 0.2 . 1 . . . A 60 ARG N . 19328 1 688 . 1 1 61 61 LYS H H 1 7.98 0.02 . 1 . . . A 61 LYS H . 19328 1 689 . 1 1 61 61 LYS HA H 1 4.15 0.02 . 1 . . . A 61 LYS HA . 19328 1 690 . 1 1 61 61 LYS HB2 H 1 1.82 0.02 . 2 . . . A 61 LYS HB2 . 19328 1 691 . 1 1 61 61 LYS HB3 H 1 1.70 0.02 . 2 . . . A 61 LYS HB3 . 19328 1 692 . 1 1 61 61 LYS HG2 H 1 1.42 0.02 . 2 . . . A 61 LYS HG2 . 19328 1 693 . 1 1 61 61 LYS HG3 H 1 1.42 0.02 . 2 . . . A 61 LYS HG3 . 19328 1 694 . 1 1 61 61 LYS HD2 H 1 1.70 0.02 . 2 . . . A 61 LYS HD2 . 19328 1 695 . 1 1 61 61 LYS HD3 H 1 1.70 0.02 . 2 . . . A 61 LYS HD3 . 19328 1 696 . 1 1 61 61 LYS HE2 H 1 3.01 0.02 . 2 . . . A 61 LYS HE2 . 19328 1 697 . 1 1 61 61 LYS HE3 H 1 3.01 0.02 . 2 . . . A 61 LYS HE3 . 19328 1 698 . 1 1 61 61 LYS CA C 13 57.7 0.2 . 1 . . . A 61 LYS CA . 19328 1 699 . 1 1 61 61 LYS CB C 13 33.6 0.2 . 1 . . . A 61 LYS CB . 19328 1 700 . 1 1 61 61 LYS CG C 13 24.6 0.2 . 1 . . . A 61 LYS CG . 19328 1 701 . 1 1 61 61 LYS CD C 13 29.2 0.2 . 1 . . . A 61 LYS CD . 19328 1 702 . 1 1 61 61 LYS CE C 13 42.1 0.2 . 1 . . . A 61 LYS CE . 19328 1 703 . 1 1 61 61 LYS N N 15 128.0 0.2 . 1 . . . A 61 LYS N . 19328 1 stop_ save_