################################### # 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 18551 _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' . . . 18551 1 2 '2D 1H-13C HSQC' . . . 18551 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 11 11 MET HA H 1 4.44 0.02 . 1 . . . A 11 MET HA . 18551 1 2 . 1 1 11 11 MET HB2 H 1 2.06 0.02 . 2 . . . A 11 MET HB2 . 18551 1 3 . 1 1 11 11 MET HB3 H 1 1.94 0.02 . 2 . . . A 11 MET HB3 . 18551 1 4 . 1 1 11 11 MET HG2 H 1 2.49 0.02 . 2 . . . A 11 MET HG2 . 18551 1 5 . 1 1 11 11 MET HG3 H 1 2.4 0.02 . 2 . . . A 11 MET HG3 . 18551 1 6 . 1 1 11 11 MET C C 13 176.6 0.2 . 1 . . . A 11 MET C . 18551 1 7 . 1 1 11 11 MET CA C 13 55.6 0.2 . 1 . . . A 11 MET CA . 18551 1 8 . 1 1 11 11 MET CB C 13 32.7 0.2 . 1 . . . A 11 MET CB . 18551 1 9 . 1 1 11 11 MET CG C 13 32 0.2 . 1 . . . A 11 MET CG . 18551 1 10 . 1 1 12 12 GLY H H 1 8.34 0.02 . 1 . . . A 12 GLY H . 18551 1 11 . 1 1 12 12 GLY HA2 H 1 3.96 0.02 . 2 . . . A 12 GLY HA2 . 18551 1 12 . 1 1 12 12 GLY HA3 H 1 3.96 0.02 . 2 . . . A 12 GLY HA3 . 18551 1 13 . 1 1 12 12 GLY C C 13 173.9 0.2 . 1 . . . A 12 GLY C . 18551 1 14 . 1 1 12 12 GLY CA C 13 45.3 0.2 . 1 . . . A 12 GLY CA . 18551 1 15 . 1 1 12 12 GLY N N 15 110 0.2 . 1 . . . A 12 GLY N . 18551 1 16 . 1 1 13 13 ASP H H 1 8.29 0.02 . 1 . . . A 13 ASP H . 18551 1 17 . 1 1 13 13 ASP HA H 1 4.64 0.02 . 1 . . . A 13 ASP HA . 18551 1 18 . 1 1 13 13 ASP HB2 H 1 2.69 0.02 . 2 . . . A 13 ASP HB2 . 18551 1 19 . 1 1 13 13 ASP HB3 H 1 2.69 0.02 . 2 . . . A 13 ASP HB3 . 18551 1 20 . 1 1 13 13 ASP C C 13 176.9 0.2 . 1 . . . A 13 ASP C . 18551 1 21 . 1 1 13 13 ASP CA C 13 54.5 0.2 . 1 . . . A 13 ASP CA . 18551 1 22 . 1 1 13 13 ASP CB C 13 41.4 0.2 . 1 . . . A 13 ASP CB . 18551 1 23 . 1 1 13 13 ASP N N 15 120.5 0.2 . 1 . . . A 13 ASP N . 18551 1 24 . 1 1 14 14 GLY H H 1 8.42 0.02 . 1 . . . A 14 GLY H . 18551 1 25 . 1 1 14 14 GLY HA2 H 1 3.95 0.02 . 2 . . . A 14 GLY HA2 . 18551 1 26 . 1 1 14 14 GLY HA3 H 1 3.95 0.02 . 2 . . . A 14 GLY HA3 . 18551 1 27 . 1 1 14 14 GLY C C 13 174.5 0.2 . 1 . . . A 14 GLY C . 18551 1 28 . 1 1 14 14 GLY CA C 13 45.5 0.2 . 1 . . . A 14 GLY CA . 18551 1 29 . 1 1 14 14 GLY N N 15 109.3 0.2 . 1 . . . A 14 GLY N . 18551 1 30 . 1 1 15 15 GLU H H 1 8.34 0.02 . 1 . . . A 15 GLU H . 18551 1 31 . 1 1 15 15 GLU HA H 1 4.28 0.02 . 1 . . . A 15 GLU HA . 18551 1 32 . 1 1 15 15 GLU HB2 H 1 2.07 0.02 . 2 . . . A 15 GLU HB2 . 18551 1 33 . 1 1 15 15 GLU HB3 H 1 1.95 0.02 . 2 . . . A 15 GLU HB3 . 18551 1 34 . 1 1 15 15 GLU HG2 H 1 2.24 0.02 . 2 . . . A 15 GLU HG2 . 18551 1 35 . 1 1 15 15 GLU HG3 H 1 2.24 0.02 . 2 . . . A 15 GLU HG3 . 18551 1 36 . 1 1 15 15 GLU C C 13 177.2 0.2 . 1 . . . A 15 GLU C . 18551 1 37 . 1 1 15 15 GLU CA C 13 56.8 0.2 . 1 . . . A 15 GLU CA . 18551 1 38 . 1 1 15 15 GLU CB C 13 30.1 0.2 . 1 . . . A 15 GLU CB . 18551 1 39 . 1 1 15 15 GLU CG C 13 36.3 0.2 . 1 . . . A 15 GLU CG . 18551 1 40 . 1 1 15 15 GLU N N 15 120.6 0.2 . 1 . . . A 15 GLU N . 18551 1 41 . 1 1 16 16 GLY H H 1 8.48 0.02 . 1 . . . A 16 GLY H . 18551 1 42 . 1 1 16 16 GLY HA2 H 1 3.93 0.02 . 2 . . . A 16 GLY HA2 . 18551 1 43 . 1 1 16 16 GLY HA3 H 1 3.93 0.02 . 2 . . . A 16 GLY HA3 . 18551 1 44 . 1 1 16 16 GLY C C 13 174.1 0.2 . 1 . . . A 16 GLY C . 18551 1 45 . 1 1 16 16 GLY CA C 13 45.5 0.2 . 1 . . . A 16 GLY CA . 18551 1 46 . 1 1 16 16 GLY N N 15 109.9 0.2 . 1 . . . A 16 GLY N . 18551 1 47 . 1 1 17 17 ALA H H 1 8.16 0.02 . 1 . . . A 17 ALA H . 18551 1 48 . 1 1 17 17 ALA HA H 1 4.3 0.02 . 1 . . . A 17 ALA HA . 18551 1 49 . 1 1 17 17 ALA HB1 H 1 1.39 0.02 . 1 . . . A 17 ALA HB1 . 18551 1 50 . 1 1 17 17 ALA HB2 H 1 1.39 0.02 . 1 . . . A 17 ALA HB2 . 18551 1 51 . 1 1 17 17 ALA HB3 H 1 1.39 0.02 . 1 . . . A 17 ALA HB3 . 18551 1 52 . 1 1 17 17 ALA C C 13 178.3 0.2 . 1 . . . A 17 ALA C . 18551 1 53 . 1 1 17 17 ALA CA C 13 52.8 0.2 . 1 . . . A 17 ALA CA . 18551 1 54 . 1 1 17 17 ALA CB C 13 19.3 0.2 . 1 . . . A 17 ALA CB . 18551 1 55 . 1 1 17 17 ALA N N 15 123.5 0.2 . 1 . . . A 17 ALA N . 18551 1 56 . 1 1 18 18 GLY H H 1 8.38 0.02 . 1 . . . A 18 GLY H . 18551 1 57 . 1 1 18 18 GLY HA2 H 1 3.93 0.02 . 2 . . . A 18 GLY HA2 . 18551 1 58 . 1 1 18 18 GLY HA3 H 1 3.93 0.02 . 2 . . . A 18 GLY HA3 . 18551 1 59 . 1 1 18 18 GLY C C 13 174.4 0.2 . 1 . . . A 18 GLY C . 18551 1 60 . 1 1 18 18 GLY CA C 13 45.4 0.2 . 1 . . . A 18 GLY CA . 18551 1 61 . 1 1 18 18 GLY N N 15 108 0.2 . 1 . . . A 18 GLY N . 18551 1 62 . 1 1 19 19 VAL H H 1 7.93 0.02 . 1 . . . A 19 VAL H . 18551 1 63 . 1 1 19 19 VAL HA H 1 4.09 0.02 . 1 . . . A 19 VAL HA . 18551 1 64 . 1 1 19 19 VAL HB H 1 2.09 0.02 . 1 . . . A 19 VAL HB . 18551 1 65 . 1 1 19 19 VAL HG11 H 1 0.91 0.02 . 1 . . . A 19 VAL HG11 . 18551 1 66 . 1 1 19 19 VAL HG12 H 1 0.91 0.02 . 1 . . . A 19 VAL HG12 . 18551 1 67 . 1 1 19 19 VAL HG13 H 1 0.91 0.02 . 1 . . . A 19 VAL HG13 . 18551 1 68 . 1 1 19 19 VAL HG21 H 1 0.9 0.02 . 1 . . . A 19 VAL HG21 . 18551 1 69 . 1 1 19 19 VAL HG22 H 1 0.9 0.02 . 1 . . . A 19 VAL HG22 . 18551 1 70 . 1 1 19 19 VAL HG23 H 1 0.9 0.02 . 1 . . . A 19 VAL HG23 . 18551 1 71 . 1 1 19 19 VAL C C 13 176.4 0.2 . 1 . . . A 19 VAL C . 18551 1 72 . 1 1 19 19 VAL CA C 13 62.5 0.2 . 1 . . . A 19 VAL CA . 18551 1 73 . 1 1 19 19 VAL CB C 13 32.5 0.2 . 1 . . . A 19 VAL CB . 18551 1 74 . 1 1 19 19 VAL CG1 C 13 21.3 0.2 . 1 . . . A 19 VAL CG1 . 18551 1 75 . 1 1 19 19 VAL CG2 C 13 20.6 0.2 . 1 . . . A 19 VAL CG2 . 18551 1 76 . 1 1 19 19 VAL N N 15 119.1 0.2 . 1 . . . A 19 VAL N . 18551 1 77 . 1 1 20 20 LEU H H 1 8.29 0.02 . 1 . . . A 20 LEU H . 18551 1 78 . 1 1 20 20 LEU HA H 1 4.33 0.02 . 1 . . . A 20 LEU HA . 18551 1 79 . 1 1 20 20 LEU HB2 H 1 1.68 0.02 . 2 . . . A 20 LEU HB2 . 18551 1 80 . 1 1 20 20 LEU HB3 H 1 1.58 0.02 . 2 . . . A 20 LEU HB3 . 18551 1 81 . 1 1 20 20 LEU HG H 1 1.62 0.02 . 1 . . . A 20 LEU HG . 18551 1 82 . 1 1 20 20 LEU HD11 H 1 0.9 0.02 . 1 . . . A 20 LEU HD11 . 18551 1 83 . 1 1 20 20 LEU HD12 H 1 0.9 0.02 . 1 . . . A 20 LEU HD12 . 18551 1 84 . 1 1 20 20 LEU HD13 H 1 0.9 0.02 . 1 . . . A 20 LEU HD13 . 18551 1 85 . 1 1 20 20 LEU HD21 H 1 0.85 0.02 . 1 . . . A 20 LEU HD21 . 18551 1 86 . 1 1 20 20 LEU HD22 H 1 0.85 0.02 . 1 . . . A 20 LEU HD22 . 18551 1 87 . 1 1 20 20 LEU HD23 H 1 0.85 0.02 . 1 . . . A 20 LEU HD23 . 18551 1 88 . 1 1 20 20 LEU C C 13 177.9 0.2 . 1 . . . A 20 LEU C . 18551 1 89 . 1 1 20 20 LEU CA C 13 55.4 0.2 . 1 . . . A 20 LEU CA . 18551 1 90 . 1 1 20 20 LEU CB C 13 42.2 0.2 . 1 . . . A 20 LEU CB . 18551 1 91 . 1 1 20 20 LEU CG C 13 27 0.2 . 1 . . . A 20 LEU CG . 18551 1 92 . 1 1 20 20 LEU CD1 C 13 24.9 0.2 . 1 . . . A 20 LEU CD1 . 18551 1 93 . 1 1 20 20 LEU CD2 C 13 23.4 0.2 . 1 . . . A 20 LEU CD2 . 18551 1 94 . 1 1 20 20 LEU N N 15 125.1 0.2 . 1 . . . A 20 LEU N . 18551 1 95 . 1 1 21 21 GLY H H 1 8.3 0.02 . 1 . . . A 21 GLY H . 18551 1 96 . 1 1 21 21 GLY HA2 H 1 3.92 0.02 . 2 . . . A 21 GLY HA2 . 18551 1 97 . 1 1 21 21 GLY HA3 H 1 3.92 0.02 . 2 . . . A 21 GLY HA3 . 18551 1 98 . 1 1 21 21 GLY C C 13 174.2 0.2 . 1 . . . A 21 GLY C . 18551 1 99 . 1 1 21 21 GLY CA C 13 45.4 0.2 . 1 . . . A 21 GLY CA . 18551 1 100 . 1 1 21 21 GLY N N 15 109.3 0.2 . 1 . . . A 21 GLY N . 18551 1 101 . 1 1 22 22 LEU H H 1 8.05 0.02 . 1 . . . A 22 LEU H . 18551 1 102 . 1 1 22 22 LEU HA H 1 4.37 0.02 . 1 . . . A 22 LEU HA . 18551 1 103 . 1 1 22 22 LEU HB2 H 1 1.61 0.02 . 2 . . . A 22 LEU HB2 . 18551 1 104 . 1 1 22 22 LEU HB3 H 1 1.61 0.02 . 2 . . . A 22 LEU HB3 . 18551 1 105 . 1 1 22 22 LEU HG H 1 1.62 0.02 . 1 . . . A 22 LEU HG . 18551 1 106 . 1 1 22 22 LEU HD11 H 1 0.9 0.02 . 1 . . . A 22 LEU HD11 . 18551 1 107 . 1 1 22 22 LEU HD12 H 1 0.9 0.02 . 1 . . . A 22 LEU HD12 . 18551 1 108 . 1 1 22 22 LEU HD13 H 1 0.9 0.02 . 1 . . . A 22 LEU HD13 . 18551 1 109 . 1 1 22 22 LEU HD21 H 1 0.85 0.02 . 1 . . . A 22 LEU HD21 . 18551 1 110 . 1 1 22 22 LEU HD22 H 1 0.85 0.02 . 1 . . . A 22 LEU HD22 . 18551 1 111 . 1 1 22 22 LEU HD23 H 1 0.85 0.02 . 1 . . . A 22 LEU HD23 . 18551 1 112 . 1 1 22 22 LEU C C 13 177.6 0.2 . 1 . . . A 22 LEU C . 18551 1 113 . 1 1 22 22 LEU CA C 13 55.2 0.2 . 1 . . . A 22 LEU CA . 18551 1 114 . 1 1 22 22 LEU CB C 13 42.5 0.2 . 1 . . . A 22 LEU CB . 18551 1 115 . 1 1 22 22 LEU CG C 13 26.9 0.2 . 1 . . . A 22 LEU CG . 18551 1 116 . 1 1 22 22 LEU CD1 C 13 25 0.2 . 1 . . . A 22 LEU CD1 . 18551 1 117 . 1 1 22 22 LEU CD2 C 13 23.4 0.2 . 1 . . . A 22 LEU CD2 . 18551 1 118 . 1 1 22 22 LEU N N 15 121.6 0.2 . 1 . . . A 22 LEU N . 18551 1 119 . 1 1 23 23 SER H H 1 8.32 0.02 . 1 . . . A 23 SER H . 18551 1 120 . 1 1 23 23 SER HA H 1 4.44 0.02 . 1 . . . A 23 SER HA . 18551 1 121 . 1 1 23 23 SER HB2 H 1 3.87 0.02 . 2 . . . A 23 SER HB2 . 18551 1 122 . 1 1 23 23 SER HB3 H 1 3.87 0.02 . 2 . . . A 23 SER HB3 . 18551 1 123 . 1 1 23 23 SER C C 13 174.3 0.2 . 1 . . . A 23 SER C . 18551 1 124 . 1 1 23 23 SER CA C 13 58.3 0.2 . 1 . . . A 23 SER CA . 18551 1 125 . 1 1 23 23 SER CB C 13 63.8 0.2 . 1 . . . A 23 SER CB . 18551 1 126 . 1 1 23 23 SER N N 15 116.5 0.2 . 1 . . . A 23 SER N . 18551 1 127 . 1 1 24 24 ALA H H 1 8.32 0.02 . 1 . . . A 24 ALA H . 18551 1 128 . 1 1 24 24 ALA HA H 1 4.35 0.02 . 1 . . . A 24 ALA HA . 18551 1 129 . 1 1 24 24 ALA HB1 H 1 1.4 0.02 . 1 . . . A 24 ALA HB1 . 18551 1 130 . 1 1 24 24 ALA HB2 H 1 1.4 0.02 . 1 . . . A 24 ALA HB2 . 18551 1 131 . 1 1 24 24 ALA HB3 H 1 1.4 0.02 . 1 . . . A 24 ALA HB3 . 18551 1 132 . 1 1 24 24 ALA C C 13 177.7 0.2 . 1 . . . A 24 ALA C . 18551 1 133 . 1 1 24 24 ALA CA C 13 52.7 0.2 . 1 . . . A 24 ALA CA . 18551 1 134 . 1 1 24 24 ALA CB C 13 19.4 0.2 . 1 . . . A 24 ALA CB . 18551 1 135 . 1 1 24 24 ALA N N 15 126 0.2 . 1 . . . A 24 ALA N . 18551 1 136 . 1 1 25 25 SER H H 1 8.21 0.02 . 1 . . . A 25 SER H . 18551 1 137 . 1 1 25 25 SER HA H 1 4.43 0.02 . 1 . . . A 25 SER HA . 18551 1 138 . 1 1 25 25 SER HB2 H 1 3.87 0.02 . 2 . . . A 25 SER HB2 . 18551 1 139 . 1 1 25 25 SER HB3 H 1 3.87 0.02 . 2 . . . A 25 SER HB3 . 18551 1 140 . 1 1 25 25 SER C C 13 174.2 0.2 . 1 . . . A 25 SER C . 18551 1 141 . 1 1 25 25 SER CA C 13 58.2 0.2 . 1 . . . A 25 SER CA . 18551 1 142 . 1 1 25 25 SER CB C 13 63.9 0.2 . 1 . . . A 25 SER CB . 18551 1 143 . 1 1 25 25 SER N N 15 114.7 0.2 . 1 . . . A 25 SER N . 18551 1 144 . 1 1 26 26 ALA H H 1 8.24 0.02 . 1 . . . A 26 ALA H . 18551 1 145 . 1 1 26 26 ALA HA H 1 4.34 0.02 . 1 . . . A 26 ALA HA . 18551 1 146 . 1 1 26 26 ALA HB1 H 1 1.39 0.02 . 1 . . . A 26 ALA HB1 . 18551 1 147 . 1 1 26 26 ALA HB2 H 1 1.39 0.02 . 1 . . . A 26 ALA HB2 . 18551 1 148 . 1 1 26 26 ALA HB3 H 1 1.39 0.02 . 1 . . . A 26 ALA HB3 . 18551 1 149 . 1 1 26 26 ALA C C 13 177.4 0.2 . 1 . . . A 26 ALA C . 18551 1 150 . 1 1 26 26 ALA CA C 13 52.5 0.2 . 1 . . . A 26 ALA CA . 18551 1 151 . 1 1 26 26 ALA CB C 13 19.4 0.2 . 1 . . . A 26 ALA CB . 18551 1 152 . 1 1 26 26 ALA N N 15 125.9 0.2 . 1 . . . A 26 ALA N . 18551 1 153 . 1 1 27 27 GLU H H 1 8.3 0.02 . 1 . . . A 27 GLU H . 18551 1 154 . 1 1 27 27 GLU HA H 1 4.24 0.02 . 1 . . . A 27 GLU HA . 18551 1 155 . 1 1 27 27 GLU HB2 H 1 1.96 0.02 . 2 . . . A 27 GLU HB2 . 18551 1 156 . 1 1 27 27 GLU HB3 H 1 1.91 0.02 . 2 . . . A 27 GLU HB3 . 18551 1 157 . 1 1 27 27 GLU HG2 H 1 2.17 0.02 . 2 . . . A 27 GLU HG2 . 18551 1 158 . 1 1 27 27 GLU HG3 H 1 2.17 0.02 . 2 . . . A 27 GLU HG3 . 18551 1 159 . 1 1 27 27 GLU C C 13 175.4 0.2 . 1 . . . A 27 GLU C . 18551 1 160 . 1 1 27 27 GLU CA C 13 56.2 0.2 . 1 . . . A 27 GLU CA . 18551 1 161 . 1 1 27 27 GLU CB C 13 30.7 0.2 . 1 . . . A 27 GLU CB . 18551 1 162 . 1 1 27 27 GLU CG C 13 36.3 0.2 . 1 . . . A 27 GLU CG . 18551 1 163 . 1 1 27 27 GLU N N 15 120.1 0.2 . 1 . . . A 27 GLU N . 18551 1 164 . 1 1 28 28 CYS H H 1 7.98 0.02 . 1 . . . A 28 CYS H . 18551 1 165 . 1 1 28 28 CYS HA H 1 4.59 0.02 . 1 . . . A 28 CYS HA . 18551 1 166 . 1 1 28 28 CYS HB2 H 1 2.69 0.02 . 2 . . . A 28 CYS HB2 . 18551 1 167 . 1 1 28 28 CYS HB3 H 1 2.69 0.02 . 2 . . . A 28 CYS HB3 . 18551 1 168 . 1 1 28 28 CYS C C 13 173 0.2 . 1 . . . A 28 CYS C . 18551 1 169 . 1 1 28 28 CYS CA C 13 57.9 0.2 . 1 . . . A 28 CYS CA . 18551 1 170 . 1 1 28 28 CYS CB C 13 28.7 0.2 . 1 . . . A 28 CYS CB . 18551 1 171 . 1 1 28 28 CYS N N 15 119.4 0.2 . 1 . . . A 28 CYS N . 18551 1 172 . 1 1 29 29 HIS H H 1 8.79 0.02 . 1 . . . A 29 HIS H . 18551 1 173 . 1 1 29 29 HIS HA H 1 4.64 0.02 . 1 . . . A 29 HIS HA . 18551 1 174 . 1 1 29 29 HIS HB2 H 1 2.81 0.02 . 2 . . . A 29 HIS HB2 . 18551 1 175 . 1 1 29 29 HIS HB3 H 1 2.75 0.02 . 2 . . . A 29 HIS HB3 . 18551 1 176 . 1 1 29 29 HIS C C 13 174.7 0.2 . 1 . . . A 29 HIS C . 18551 1 177 . 1 1 29 29 HIS CA C 13 55.3 0.2 . 1 . . . A 29 HIS CA . 18551 1 178 . 1 1 29 29 HIS CB C 13 32.4 0.2 . 1 . . . A 29 HIS CB . 18551 1 179 . 1 1 29 29 HIS N N 15 124.5 0.2 . 1 . . . A 29 HIS N . 18551 1 180 . 1 1 30 30 LEU H H 1 8.75 0.02 . 1 . . . A 30 LEU H . 18551 1 181 . 1 1 30 30 LEU HA H 1 5.07 0.02 . 1 . . . A 30 LEU HA . 18551 1 182 . 1 1 30 30 LEU HB2 H 1 1.58 0.02 . 2 . . . A 30 LEU HB2 . 18551 1 183 . 1 1 30 30 LEU HB3 H 1 1.22 0.02 . 2 . . . A 30 LEU HB3 . 18551 1 184 . 1 1 30 30 LEU HG H 1 1.55 0.02 . 1 . . . A 30 LEU HG . 18551 1 185 . 1 1 30 30 LEU HD11 H 1 0.81 0.02 . 1 . . . A 30 LEU HD11 . 18551 1 186 . 1 1 30 30 LEU HD12 H 1 0.81 0.02 . 1 . . . A 30 LEU HD12 . 18551 1 187 . 1 1 30 30 LEU HD13 H 1 0.81 0.02 . 1 . . . A 30 LEU HD13 . 18551 1 188 . 1 1 30 30 LEU HD21 H 1 0.73 0.02 . 1 . . . A 30 LEU HD21 . 18551 1 189 . 1 1 30 30 LEU HD22 H 1 0.73 0.02 . 1 . . . A 30 LEU HD22 . 18551 1 190 . 1 1 30 30 LEU HD23 H 1 0.73 0.02 . 1 . . . A 30 LEU HD23 . 18551 1 191 . 1 1 30 30 LEU C C 13 178.5 0.2 . 1 . . . A 30 LEU C . 18551 1 192 . 1 1 30 30 LEU CA C 13 53.8 0.2 . 1 . . . A 30 LEU CA . 18551 1 193 . 1 1 30 30 LEU CB C 13 43.7 0.2 . 1 . . . A 30 LEU CB . 18551 1 194 . 1 1 30 30 LEU CG C 13 27.4 0.2 . 1 . . . A 30 LEU CG . 18551 1 195 . 1 1 30 30 LEU CD1 C 13 24.9 0.2 . 1 . . . A 30 LEU CD1 . 18551 1 196 . 1 1 30 30 LEU CD2 C 13 23.9 0.2 . 1 . . . A 30 LEU CD2 . 18551 1 197 . 1 1 30 30 LEU N N 15 123.9 0.2 . 1 . . . A 30 LEU N . 18551 1 198 . 1 1 31 31 CYS H H 1 9.59 0.02 . 1 . . . A 31 CYS H . 18551 1 199 . 1 1 31 31 CYS HA H 1 4.81 0.02 . 1 . . . A 31 CYS HA . 18551 1 200 . 1 1 31 31 CYS HB2 H 1 3.4 0.02 . 2 . . . A 31 CYS HB2 . 18551 1 201 . 1 1 31 31 CYS HB3 H 1 2.99 0.02 . 2 . . . A 31 CYS HB3 . 18551 1 202 . 1 1 31 31 CYS CA C 13 57.1 0.2 . 1 . . . A 31 CYS CA . 18551 1 203 . 1 1 31 31 CYS CB C 13 30.3 0.2 . 1 . . . A 31 CYS CB . 18551 1 204 . 1 1 31 31 CYS N N 15 126.7 0.2 . 1 . . . A 31 CYS N . 18551 1 205 . 1 1 32 32 PRO HA H 1 4.46 0.02 . 1 . . . A 32 PRO HA . 18551 1 206 . 1 1 32 32 PRO HB2 H 1 2.27 0.02 . 2 . . . A 32 PRO HB2 . 18551 1 207 . 1 1 32 32 PRO HB3 H 1 1.9 0.02 . 2 . . . A 32 PRO HB3 . 18551 1 208 . 1 1 32 32 PRO HG2 H 1 2.01 0.02 . 2 . . . A 32 PRO HG2 . 18551 1 209 . 1 1 32 32 PRO HG3 H 1 1.75 0.02 . 2 . . . A 32 PRO HG3 . 18551 1 210 . 1 1 32 32 PRO HD2 H 1 4.23 0.02 . 2 . . . A 32 PRO HD2 . 18551 1 211 . 1 1 32 32 PRO HD3 H 1 4 0.02 . 2 . . . A 32 PRO HD3 . 18551 1 212 . 1 1 32 32 PRO C C 13 176 0.2 . 1 . . . A 32 PRO C . 18551 1 213 . 1 1 32 32 PRO CA C 13 64 0.2 . 1 . . . A 32 PRO CA . 18551 1 214 . 1 1 32 32 PRO CB C 13 32.2 0.2 . 1 . . . A 32 PRO CB . 18551 1 215 . 1 1 32 32 PRO CG C 13 26.8 0.2 . 1 . . . A 32 PRO CG . 18551 1 216 . 1 1 32 32 PRO CD C 13 51.5 0.2 . 1 . . . A 32 PRO CD . 18551 1 217 . 1 1 33 33 VAL H H 1 8.82 0.02 . 1 . . . A 33 VAL H . 18551 1 218 . 1 1 33 33 VAL HA H 1 3.81 0.02 . 1 . . . A 33 VAL HA . 18551 1 219 . 1 1 33 33 VAL HB H 1 0.88 0.02 . 1 . . . A 33 VAL HB . 18551 1 220 . 1 1 33 33 VAL HG11 H 1 0.45 0.02 . 1 . . . A 33 VAL HG11 . 18551 1 221 . 1 1 33 33 VAL HG12 H 1 0.45 0.02 . 1 . . . A 33 VAL HG12 . 18551 1 222 . 1 1 33 33 VAL HG13 H 1 0.45 0.02 . 1 . . . A 33 VAL HG13 . 18551 1 223 . 1 1 33 33 VAL HG21 H 1 0.59 0.02 . 1 . . . A 33 VAL HG21 . 18551 1 224 . 1 1 33 33 VAL HG22 H 1 0.59 0.02 . 1 . . . A 33 VAL HG22 . 18551 1 225 . 1 1 33 33 VAL HG23 H 1 0.59 0.02 . 1 . . . A 33 VAL HG23 . 18551 1 226 . 1 1 33 33 VAL C C 13 176.7 0.2 . 1 . . . A 33 VAL C . 18551 1 227 . 1 1 33 33 VAL CA C 13 64.8 0.2 . 1 . . . A 33 VAL CA . 18551 1 228 . 1 1 33 33 VAL CB C 13 32.7 0.2 . 1 . . . A 33 VAL CB . 18551 1 229 . 1 1 33 33 VAL CG1 C 13 21 0.2 . 1 . . . A 33 VAL CG1 . 18551 1 230 . 1 1 33 33 VAL CG2 C 13 21.4 0.2 . 1 . . . A 33 VAL CG2 . 18551 1 231 . 1 1 33 33 VAL N N 15 122 0.2 . 1 . . . A 33 VAL N . 18551 1 232 . 1 1 34 34 CYS H H 1 8.46 0.02 . 1 . . . A 34 CYS H . 18551 1 233 . 1 1 34 34 CYS HA H 1 5.17 0.02 . 1 . . . A 34 CYS HA . 18551 1 234 . 1 1 34 34 CYS HB2 H 1 3.54 0.02 . 2 . . . A 34 CYS HB2 . 18551 1 235 . 1 1 34 34 CYS HB3 H 1 2.89 0.02 . 2 . . . A 34 CYS HB3 . 18551 1 236 . 1 1 34 34 CYS C C 13 176.8 0.2 . 1 . . . A 34 CYS C . 18551 1 237 . 1 1 34 34 CYS CA C 13 58.5 0.2 . 1 . . . A 34 CYS CA . 18551 1 238 . 1 1 34 34 CYS CB C 13 32.7 0.2 . 1 . . . A 34 CYS CB . 18551 1 239 . 1 1 34 34 CYS N N 15 117.1 0.2 . 1 . . . A 34 CYS N . 18551 1 240 . 1 1 35 35 GLY H H 1 7.97 0.02 . 1 . . . A 35 GLY H . 18551 1 241 . 1 1 35 35 GLY HA2 H 1 4.2 0.02 . 2 . . . A 35 GLY HA2 . 18551 1 242 . 1 1 35 35 GLY HA3 H 1 3.8 0.02 . 2 . . . A 35 GLY HA3 . 18551 1 243 . 1 1 35 35 GLY C C 13 173.2 0.2 . 1 . . . A 35 GLY C . 18551 1 244 . 1 1 35 35 GLY CA C 13 46.4 0.2 . 1 . . . A 35 GLY CA . 18551 1 245 . 1 1 35 35 GLY N N 15 112.5 0.2 . 1 . . . A 35 GLY N . 18551 1 246 . 1 1 36 36 GLU H H 1 7.91 0.02 . 1 . . . A 36 GLU H . 18551 1 247 . 1 1 36 36 GLU HA H 1 3.99 0.02 . 1 . . . A 36 GLU HA . 18551 1 248 . 1 1 36 36 GLU HB2 H 1 1.86 0.02 . 2 . . . A 36 GLU HB2 . 18551 1 249 . 1 1 36 36 GLU HB3 H 1 1.42 0.02 . 2 . . . A 36 GLU HB3 . 18551 1 250 . 1 1 36 36 GLU HG2 H 1 2.17 0.02 . 2 . . . A 36 GLU HG2 . 18551 1 251 . 1 1 36 36 GLU HG3 H 1 1.85 0.02 . 2 . . . A 36 GLU HG3 . 18551 1 252 . 1 1 36 36 GLU C C 13 173.8 0.2 . 1 . . . A 36 GLU C . 18551 1 253 . 1 1 36 36 GLU CA C 13 57.9 0.2 . 1 . . . A 36 GLU CA . 18551 1 254 . 1 1 36 36 GLU CB C 13 30.5 0.2 . 1 . . . A 36 GLU CB . 18551 1 255 . 1 1 36 36 GLU CG C 13 36.8 0.2 . 1 . . . A 36 GLU CG . 18551 1 256 . 1 1 36 36 GLU N N 15 122.5 0.2 . 1 . . . A 36 GLU N . 18551 1 257 . 1 1 37 37 SER H H 1 7.99 0.02 . 1 . . . A 37 SER H . 18551 1 258 . 1 1 37 37 SER HA H 1 4.82 0.02 . 1 . . . A 37 SER HA . 18551 1 259 . 1 1 37 37 SER HB2 H 1 3.54 0.02 . 2 . . . A 37 SER HB2 . 18551 1 260 . 1 1 37 37 SER HB3 H 1 3.54 0.02 . 2 . . . A 37 SER HB3 . 18551 1 261 . 1 1 37 37 SER C C 13 173.3 0.2 . 1 . . . A 37 SER C . 18551 1 262 . 1 1 37 37 SER CA C 13 57.2 0.2 . 1 . . . A 37 SER CA . 18551 1 263 . 1 1 37 37 SER CB C 13 65.3 0.2 . 1 . . . A 37 SER CB . 18551 1 264 . 1 1 37 37 SER N N 15 116.3 0.2 . 1 . . . A 37 SER N . 18551 1 265 . 1 1 38 38 PHE H H 1 8.4 0.02 . 1 . . . A 38 PHE H . 18551 1 266 . 1 1 38 38 PHE HA H 1 4.65 0.02 . 1 . . . A 38 PHE HA . 18551 1 267 . 1 1 38 38 PHE HB2 H 1 3.28 0.02 . 2 . . . A 38 PHE HB2 . 18551 1 268 . 1 1 38 38 PHE HB3 H 1 2.88 0.02 . 2 . . . A 38 PHE HB3 . 18551 1 269 . 1 1 38 38 PHE HD1 H 1 7.21 0.02 . 3 . . . A 38 PHE HD1 . 18551 1 270 . 1 1 38 38 PHE HD2 H 1 7.21 0.02 . 3 . . . A 38 PHE HD2 . 18551 1 271 . 1 1 38 38 PHE HE1 H 1 6.8 0.02 . 3 . . . A 38 PHE HE1 . 18551 1 272 . 1 1 38 38 PHE HE2 H 1 6.8 0.02 . 3 . . . A 38 PHE HE2 . 18551 1 273 . 1 1 38 38 PHE HZ H 1 5.82 0.02 . 1 . . . A 38 PHE HZ . 18551 1 274 . 1 1 38 38 PHE CA C 13 57.4 0.2 . 1 . . . A 38 PHE CA . 18551 1 275 . 1 1 38 38 PHE CB C 13 44 0.2 . 1 . . . A 38 PHE CB . 18551 1 276 . 1 1 38 38 PHE CD1 C 13 131.9 0.2 . 3 . . . A 38 PHE CD1 . 18551 1 277 . 1 1 38 38 PHE CD2 C 13 131.9 0.2 . 3 . . . A 38 PHE CD2 . 18551 1 278 . 1 1 38 38 PHE CE1 C 13 130.8 0.2 . 3 . . . A 38 PHE CE1 . 18551 1 279 . 1 1 38 38 PHE CE2 C 13 130.8 0.2 . 3 . . . A 38 PHE CE2 . 18551 1 280 . 1 1 38 38 PHE CZ C 13 128.5 0.2 . 1 . . . A 38 PHE CZ . 18551 1 281 . 1 1 38 38 PHE N N 15 120 0.2 . 1 . . . A 38 PHE N . 18551 1 282 . 1 1 39 39 ALA HA H 1 4.59 0.02 . 1 . . . A 39 ALA HA . 18551 1 283 . 1 1 39 39 ALA HB1 H 1 1.53 0.02 . 1 . . . A 39 ALA HB1 . 18551 1 284 . 1 1 39 39 ALA HB2 H 1 1.53 0.02 . 1 . . . A 39 ALA HB2 . 18551 1 285 . 1 1 39 39 ALA HB3 H 1 1.53 0.02 . 1 . . . A 39 ALA HB3 . 18551 1 286 . 1 1 39 39 ALA C C 13 176.7 0.2 . 1 . . . A 39 ALA C . 18551 1 287 . 1 1 39 39 ALA CA C 13 52.7 0.2 . 1 . . . A 39 ALA CA . 18551 1 288 . 1 1 39 39 ALA CB C 13 19.4 0.2 . 1 . . . A 39 ALA CB . 18551 1 289 . 1 1 40 40 SER H H 1 7.4 0.02 . 1 . . . A 40 SER H . 18551 1 290 . 1 1 40 40 SER HA H 1 4.56 0.02 . 1 . . . A 40 SER HA . 18551 1 291 . 1 1 40 40 SER HB2 H 1 4.07 0.02 . 2 . . . A 40 SER HB2 . 18551 1 292 . 1 1 40 40 SER HB3 H 1 3.92 0.02 . 2 . . . A 40 SER HB3 . 18551 1 293 . 1 1 40 40 SER C C 13 173.4 0.2 . 1 . . . A 40 SER C . 18551 1 294 . 1 1 40 40 SER CA C 13 56.1 0.2 . 1 . . . A 40 SER CA . 18551 1 295 . 1 1 40 40 SER CB C 13 66.4 0.2 . 1 . . . A 40 SER CB . 18551 1 296 . 1 1 40 40 SER N N 15 107.5 0.2 . 1 . . . A 40 SER N . 18551 1 297 . 1 1 41 41 LYS H H 1 8.73 0.02 . 1 . . . A 41 LYS H . 18551 1 298 . 1 1 41 41 LYS HA H 1 3.44 0.02 . 1 . . . A 41 LYS HA . 18551 1 299 . 1 1 41 41 LYS HB2 H 1 1.64 0.02 . 2 . . . A 41 LYS HB2 . 18551 1 300 . 1 1 41 41 LYS HB3 H 1 1.35 0.02 . 2 . . . A 41 LYS HB3 . 18551 1 301 . 1 1 41 41 LYS HG2 H 1 1.25 0.02 . 2 . . . A 41 LYS HG2 . 18551 1 302 . 1 1 41 41 LYS HG3 H 1 1.25 0.02 . 2 . . . A 41 LYS HG3 . 18551 1 303 . 1 1 41 41 LYS HD2 H 1 1.68 0.02 . 2 . . . A 41 LYS HD2 . 18551 1 304 . 1 1 41 41 LYS HD3 H 1 1.54 0.02 . 2 . . . A 41 LYS HD3 . 18551 1 305 . 1 1 41 41 LYS HE2 H 1 2.99 0.02 . 2 . . . A 41 LYS HE2 . 18551 1 306 . 1 1 41 41 LYS HE3 H 1 2.99 0.02 . 2 . . . A 41 LYS HE3 . 18551 1 307 . 1 1 41 41 LYS C C 13 178.6 0.2 . 1 . . . A 41 LYS C . 18551 1 308 . 1 1 41 41 LYS CA C 13 58.2 0.2 . 1 . . . A 41 LYS CA . 18551 1 309 . 1 1 41 41 LYS CB C 13 32.1 0.2 . 1 . . . A 41 LYS CB . 18551 1 310 . 1 1 41 41 LYS CG C 13 24.3 0.2 . 1 . . . A 41 LYS CG . 18551 1 311 . 1 1 41 41 LYS CD C 13 28.7 0.2 . 1 . . . A 41 LYS CD . 18551 1 312 . 1 1 41 41 LYS CE C 13 42.4 0.2 . 1 . . . A 41 LYS CE . 18551 1 313 . 1 1 41 41 LYS N N 15 124.4 0.2 . 1 . . . A 41 LYS N . 18551 1 314 . 1 1 42 42 GLY H H 1 8.6 0.02 . 1 . . . A 42 GLY H . 18551 1 315 . 1 1 42 42 GLY HA2 H 1 3.79 0.02 . 2 . . . A 42 GLY HA2 . 18551 1 316 . 1 1 42 42 GLY HA3 H 1 3.79 0.02 . 2 . . . A 42 GLY HA3 . 18551 1 317 . 1 1 42 42 GLY C C 13 176.7 0.2 . 1 . . . A 42 GLY C . 18551 1 318 . 1 1 42 42 GLY CA C 13 46.9 0.2 . 1 . . . A 42 GLY CA . 18551 1 319 . 1 1 42 42 GLY N N 15 105.9 0.2 . 1 . . . A 42 GLY N . 18551 1 320 . 1 1 43 43 ALA H H 1 7.62 0.02 . 1 . . . A 43 ALA H . 18551 1 321 . 1 1 43 43 ALA HA H 1 4.05 0.02 . 1 . . . A 43 ALA HA . 18551 1 322 . 1 1 43 43 ALA HB1 H 1 1.57 0.02 . 1 . . . A 43 ALA HB1 . 18551 1 323 . 1 1 43 43 ALA HB2 H 1 1.57 0.02 . 1 . . . A 43 ALA HB2 . 18551 1 324 . 1 1 43 43 ALA HB3 H 1 1.57 0.02 . 1 . . . A 43 ALA HB3 . 18551 1 325 . 1 1 43 43 ALA C C 13 179.7 0.2 . 1 . . . A 43 ALA C . 18551 1 326 . 1 1 43 43 ALA CA C 13 54.7 0.2 . 1 . . . A 43 ALA CA . 18551 1 327 . 1 1 43 43 ALA CB C 13 18.8 0.2 . 1 . . . A 43 ALA CB . 18551 1 328 . 1 1 43 43 ALA N N 15 123.5 0.2 . 1 . . . A 43 ALA N . 18551 1 329 . 1 1 44 44 GLN H H 1 7.31 0.02 . 1 . . . A 44 GLN H . 18551 1 330 . 1 1 44 44 GLN HA H 1 2.6 0.02 . 1 . . . A 44 GLN HA . 18551 1 331 . 1 1 44 44 GLN HB2 H 1 2.59 0.02 . 2 . . . A 44 GLN HB2 . 18551 1 332 . 1 1 44 44 GLN HB3 H 1 1.76 0.02 . 2 . . . A 44 GLN HB3 . 18551 1 333 . 1 1 44 44 GLN HG2 H 1 2.11 0.02 . 2 . . . A 44 GLN HG2 . 18551 1 334 . 1 1 44 44 GLN HG3 H 1 1.92 0.02 . 2 . . . A 44 GLN HG3 . 18551 1 335 . 1 1 44 44 GLN HE21 H 1 7.11 0.02 . 1 . . . A 44 GLN HE21 . 18551 1 336 . 1 1 44 44 GLN HE22 H 1 6.88 0.02 . 1 . . . A 44 GLN HE22 . 18551 1 337 . 1 1 44 44 GLN C C 13 177.5 0.2 . 1 . . . A 44 GLN C . 18551 1 338 . 1 1 44 44 GLN CA C 13 59.4 0.2 . 1 . . . A 44 GLN CA . 18551 1 339 . 1 1 44 44 GLN CB C 13 27.6 0.2 . 1 . . . A 44 GLN CB . 18551 1 340 . 1 1 44 44 GLN CG C 13 32 0.2 . 1 . . . A 44 GLN CG . 18551 1 341 . 1 1 44 44 GLN N N 15 121.8 0.2 . 1 . . . A 44 GLN N . 18551 1 342 . 1 1 44 44 GLN NE2 N 15 108.6 0.2 . 1 . . . A 44 GLN NE2 . 18551 1 343 . 1 1 45 45 GLU H H 1 8.59 0.02 . 1 . . . A 45 GLU H . 18551 1 344 . 1 1 45 45 GLU HA H 1 3.77 0.02 . 1 . . . A 45 GLU HA . 18551 1 345 . 1 1 45 45 GLU HB2 H 1 2.08 0.02 . 2 . . . A 45 GLU HB2 . 18551 1 346 . 1 1 45 45 GLU HB3 H 1 1.93 0.02 . 2 . . . A 45 GLU HB3 . 18551 1 347 . 1 1 45 45 GLU HG2 H 1 2.52 0.02 . 2 . . . A 45 GLU HG2 . 18551 1 348 . 1 1 45 45 GLU HG3 H 1 2.1 0.02 . 2 . . . A 45 GLU HG3 . 18551 1 349 . 1 1 45 45 GLU C C 13 179 0.2 . 1 . . . A 45 GLU C . 18551 1 350 . 1 1 45 45 GLU CA C 13 59.9 0.2 . 1 . . . A 45 GLU CA . 18551 1 351 . 1 1 45 45 GLU CB C 13 29.4 0.2 . 1 . . . A 45 GLU CB . 18551 1 352 . 1 1 45 45 GLU CG C 13 37.1 0.2 . 1 . . . A 45 GLU CG . 18551 1 353 . 1 1 45 45 GLU N N 15 120.2 0.2 . 1 . . . A 45 GLU N . 18551 1 354 . 1 1 46 46 ARG H H 1 7.93 0.02 . 1 . . . A 46 ARG H . 18551 1 355 . 1 1 46 46 ARG HA H 1 3.9 0.02 . 1 . . . A 46 ARG HA . 18551 1 356 . 1 1 46 46 ARG HB2 H 1 1.82 0.02 . 2 . . . A 46 ARG HB2 . 18551 1 357 . 1 1 46 46 ARG HB3 H 1 1.74 0.02 . 2 . . . A 46 ARG HB3 . 18551 1 358 . 1 1 46 46 ARG HG2 H 1 1.74 0.02 . 2 . . . A 46 ARG HG2 . 18551 1 359 . 1 1 46 46 ARG HG3 H 1 1.55 0.02 . 2 . . . A 46 ARG HG3 . 18551 1 360 . 1 1 46 46 ARG HD2 H 1 3.21 0.02 . 2 . . . A 46 ARG HD2 . 18551 1 361 . 1 1 46 46 ARG HD3 H 1 3.15 0.02 . 2 . . . A 46 ARG HD3 . 18551 1 362 . 1 1 46 46 ARG C C 13 177.8 0.2 . 1 . . . A 46 ARG C . 18551 1 363 . 1 1 46 46 ARG CA C 13 59.6 0.2 . 1 . . . A 46 ARG CA . 18551 1 364 . 1 1 46 46 ARG CB C 13 30.1 0.2 . 1 . . . A 46 ARG CB . 18551 1 365 . 1 1 46 46 ARG CG C 13 27.9 0.2 . 1 . . . A 46 ARG CG . 18551 1 366 . 1 1 46 46 ARG CD C 13 43.4 0.2 . 1 . . . A 46 ARG CD . 18551 1 367 . 1 1 46 46 ARG N N 15 119.9 0.2 . 1 . . . A 46 ARG N . 18551 1 368 . 1 1 47 47 HIS H H 1 7.39 0.02 . 1 . . . A 47 HIS H . 18551 1 369 . 1 1 47 47 HIS HA H 1 4.14 0.02 . 1 . . . A 47 HIS HA . 18551 1 370 . 1 1 47 47 HIS HB2 H 1 2.98 0.02 . 2 . . . A 47 HIS HB2 . 18551 1 371 . 1 1 47 47 HIS HB3 H 1 2.76 0.02 . 2 . . . A 47 HIS HB3 . 18551 1 372 . 1 1 47 47 HIS HD2 H 1 7.14 0.02 . 1 . . . A 47 HIS HD2 . 18551 1 373 . 1 1 47 47 HIS HE1 H 1 8.04 0.02 . 1 . . . A 47 HIS HE1 . 18551 1 374 . 1 1 47 47 HIS C C 13 176.3 0.2 . 1 . . . A 47 HIS C . 18551 1 375 . 1 1 47 47 HIS CA C 13 59.6 0.2 . 1 . . . A 47 HIS CA . 18551 1 376 . 1 1 47 47 HIS CB C 13 27.9 0.2 . 1 . . . A 47 HIS CB . 18551 1 377 . 1 1 47 47 HIS CD2 C 13 127.6 0.2 . 1 . . . A 47 HIS CD2 . 18551 1 378 . 1 1 47 47 HIS CE1 C 13 139.7 0.2 . 1 . . . A 47 HIS CE1 . 18551 1 379 . 1 1 47 47 HIS N N 15 118.2 0.2 . 1 . . . A 47 HIS N . 18551 1 380 . 1 1 47 47 HIS ND1 N 15 174.5 0.2 . 1 . . . A 47 HIS ND1 . 18551 1 381 . 1 1 47 47 HIS NE2 N 15 214.2 0.2 . 1 . . . A 47 HIS NE2 . 18551 1 382 . 1 1 48 48 LEU H H 1 8.23 0.02 . 1 . . . A 48 LEU H . 18551 1 383 . 1 1 48 48 LEU HA H 1 3.81 0.02 . 1 . . . A 48 LEU HA . 18551 1 384 . 1 1 48 48 LEU HB2 H 1 1.92 0.02 . 2 . . . A 48 LEU HB2 . 18551 1 385 . 1 1 48 48 LEU HB3 H 1 1.62 0.02 . 2 . . . A 48 LEU HB3 . 18551 1 386 . 1 1 48 48 LEU HG H 1 1.82 0.02 . 1 . . . A 48 LEU HG . 18551 1 387 . 1 1 48 48 LEU HD11 H 1 0.93 0.02 . 1 . . . A 48 LEU HD11 . 18551 1 388 . 1 1 48 48 LEU HD12 H 1 0.93 0.02 . 1 . . . A 48 LEU HD12 . 18551 1 389 . 1 1 48 48 LEU HD13 H 1 0.93 0.02 . 1 . . . A 48 LEU HD13 . 18551 1 390 . 1 1 48 48 LEU HD21 H 1 1.02 0.02 . 1 . . . A 48 LEU HD21 . 18551 1 391 . 1 1 48 48 LEU HD22 H 1 1.02 0.02 . 1 . . . A 48 LEU HD22 . 18551 1 392 . 1 1 48 48 LEU HD23 H 1 1.02 0.02 . 1 . . . A 48 LEU HD23 . 18551 1 393 . 1 1 48 48 LEU C C 13 178.5 0.2 . 1 . . . A 48 LEU C . 18551 1 394 . 1 1 48 48 LEU CA C 13 59.2 0.2 . 1 . . . A 48 LEU CA . 18551 1 395 . 1 1 48 48 LEU CB C 13 42.7 0.2 . 1 . . . A 48 LEU CB . 18551 1 396 . 1 1 48 48 LEU CG C 13 27.7 0.2 . 1 . . . A 48 LEU CG . 18551 1 397 . 1 1 48 48 LEU CD1 C 13 25.6 0.2 . 1 . . . A 48 LEU CD1 . 18551 1 398 . 1 1 48 48 LEU CD2 C 13 25.7 0.2 . 1 . . . A 48 LEU CD2 . 18551 1 399 . 1 1 48 48 LEU N N 15 120 0.2 . 1 . . . A 48 LEU N . 18551 1 400 . 1 1 49 49 ARG H H 1 7.63 0.02 . 1 . . . A 49 ARG H . 18551 1 401 . 1 1 49 49 ARG HA H 1 3.9 0.02 . 1 . . . A 49 ARG HA . 18551 1 402 . 1 1 49 49 ARG HB2 H 1 1.83 0.02 . 2 . . . A 49 ARG HB2 . 18551 1 403 . 1 1 49 49 ARG HB3 H 1 1.83 0.02 . 2 . . . A 49 ARG HB3 . 18551 1 404 . 1 1 49 49 ARG HG2 H 1 1.55 0.02 . 2 . . . A 49 ARG HG2 . 18551 1 405 . 1 1 49 49 ARG HG3 H 1 1.55 0.02 . 2 . . . A 49 ARG HG3 . 18551 1 406 . 1 1 49 49 ARG HD2 H 1 3.17 0.02 . 2 . . . A 49 ARG HD2 . 18551 1 407 . 1 1 49 49 ARG HD3 H 1 3.17 0.02 . 2 . . . A 49 ARG HD3 . 18551 1 408 . 1 1 49 49 ARG C C 13 177.6 0.2 . 1 . . . A 49 ARG C . 18551 1 409 . 1 1 49 49 ARG CA C 13 58.7 0.2 . 1 . . . A 49 ARG CA . 18551 1 410 . 1 1 49 49 ARG CB C 13 30.5 0.2 . 1 . . . A 49 ARG CB . 18551 1 411 . 1 1 49 49 ARG CG C 13 27.9 0.2 . 1 . . . A 49 ARG CG . 18551 1 412 . 1 1 49 49 ARG CD C 13 43.4 0.2 . 1 . . . A 49 ARG CD . 18551 1 413 . 1 1 49 49 ARG N N 15 115.4 0.2 . 1 . . . A 49 ARG N . 18551 1 414 . 1 1 50 50 LEU H H 1 7.86 0.02 . 1 . . . A 50 LEU H . 18551 1 415 . 1 1 50 50 LEU HA H 1 4.2 0.02 . 1 . . . A 50 LEU HA . 18551 1 416 . 1 1 50 50 LEU HB2 H 1 1.64 0.02 . 2 . . . A 50 LEU HB2 . 18551 1 417 . 1 1 50 50 LEU HB3 H 1 1.46 0.02 . 2 . . . A 50 LEU HB3 . 18551 1 418 . 1 1 50 50 LEU HG H 1 1.61 0.02 . 1 . . . A 50 LEU HG . 18551 1 419 . 1 1 50 50 LEU HD11 H 1 0.83 0.02 . 1 . . . A 50 LEU HD11 . 18551 1 420 . 1 1 50 50 LEU HD12 H 1 0.83 0.02 . 1 . . . A 50 LEU HD12 . 18551 1 421 . 1 1 50 50 LEU HD13 H 1 0.83 0.02 . 1 . . . A 50 LEU HD13 . 18551 1 422 . 1 1 50 50 LEU HD21 H 1 0.82 0.02 . 1 . . . A 50 LEU HD21 . 18551 1 423 . 1 1 50 50 LEU HD22 H 1 0.82 0.02 . 1 . . . A 50 LEU HD22 . 18551 1 424 . 1 1 50 50 LEU HD23 H 1 0.82 0.02 . 1 . . . A 50 LEU HD23 . 18551 1 425 . 1 1 50 50 LEU C C 13 179 0.2 . 1 . . . A 50 LEU C . 18551 1 426 . 1 1 50 50 LEU CA C 13 56.8 0.2 . 1 . . . A 50 LEU CA . 18551 1 427 . 1 1 50 50 LEU CB C 13 42.7 0.2 . 1 . . . A 50 LEU CB . 18551 1 428 . 1 1 50 50 LEU CG C 13 27 0.2 . 1 . . . A 50 LEU CG . 18551 1 429 . 1 1 50 50 LEU CD1 C 13 24.3 0.2 . 1 . . . A 50 LEU CD1 . 18551 1 430 . 1 1 50 50 LEU CD2 C 13 23.6 0.2 . 1 . . . A 50 LEU CD2 . 18551 1 431 . 1 1 50 50 LEU N N 15 117.2 0.2 . 1 . . . A 50 LEU N . 18551 1 432 . 1 1 51 51 LEU H H 1 8.18 0.02 . 1 . . . A 51 LEU H . 18551 1 433 . 1 1 51 51 LEU HA H 1 4.27 0.02 . 1 . . . A 51 LEU HA . 18551 1 434 . 1 1 51 51 LEU HB2 H 1 0.63 0.02 . 2 . . . A 51 LEU HB2 . 18551 1 435 . 1 1 51 51 LEU HB3 H 1 0.58 0.02 . 2 . . . A 51 LEU HB3 . 18551 1 436 . 1 1 51 51 LEU HG H 1 1.43 0.02 . 1 . . . A 51 LEU HG . 18551 1 437 . 1 1 51 51 LEU HD11 H 1 0.78 0.02 . 1 . . . A 51 LEU HD11 . 18551 1 438 . 1 1 51 51 LEU HD12 H 1 0.78 0.02 . 1 . . . A 51 LEU HD12 . 18551 1 439 . 1 1 51 51 LEU HD13 H 1 0.78 0.02 . 1 . . . A 51 LEU HD13 . 18551 1 440 . 1 1 51 51 LEU HD21 H 1 0.75 0.02 . 1 . . . A 51 LEU HD21 . 18551 1 441 . 1 1 51 51 LEU HD22 H 1 0.75 0.02 . 1 . . . A 51 LEU HD22 . 18551 1 442 . 1 1 51 51 LEU HD23 H 1 0.75 0.02 . 1 . . . A 51 LEU HD23 . 18551 1 443 . 1 1 51 51 LEU C C 13 178.1 0.2 . 1 . . . A 51 LEU C . 18551 1 444 . 1 1 51 51 LEU CA C 13 55 0.2 . 1 . . . A 51 LEU CA . 18551 1 445 . 1 1 51 51 LEU CB C 13 41.2 0.2 . 1 . . . A 51 LEU CB . 18551 1 446 . 1 1 51 51 LEU CG C 13 28.1 0.2 . 1 . . . A 51 LEU CG . 18551 1 447 . 1 1 51 51 LEU CD1 C 13 24.3 0.2 . 1 . . . A 51 LEU CD1 . 18551 1 448 . 1 1 51 51 LEU CD2 C 13 23.6 0.2 . 1 . . . A 51 LEU CD2 . 18551 1 449 . 1 1 51 51 LEU N N 15 117.8 0.2 . 1 . . . A 51 LEU N . 18551 1 450 . 1 1 52 52 HIS H H 1 7.16 0.02 . 1 . . . A 52 HIS H . 18551 1 451 . 1 1 52 52 HIS HA H 1 5.36 0.02 . 1 . . . A 52 HIS HA . 18551 1 452 . 1 1 52 52 HIS HB2 H 1 3.39 0.02 . 2 . . . A 52 HIS HB2 . 18551 1 453 . 1 1 52 52 HIS HB3 H 1 3.28 0.02 . 2 . . . A 52 HIS HB3 . 18551 1 454 . 1 1 52 52 HIS HD2 H 1 6.78 0.02 . 1 . . . A 52 HIS HD2 . 18551 1 455 . 1 1 52 52 HIS HE1 H 1 8.09 0.02 . 1 . . . A 52 HIS HE1 . 18551 1 456 . 1 1 52 52 HIS C C 13 175 0.2 . 1 . . . A 52 HIS C . 18551 1 457 . 1 1 52 52 HIS CA C 13 52.8 0.2 . 1 . . . A 52 HIS CA . 18551 1 458 . 1 1 52 52 HIS CB C 13 28.9 0.2 . 1 . . . A 52 HIS CB . 18551 1 459 . 1 1 52 52 HIS CD2 C 13 128.5 0.2 . 1 . . . A 52 HIS CD2 . 18551 1 460 . 1 1 52 52 HIS CE1 C 13 139.8 0.2 . 1 . . . A 52 HIS CE1 . 18551 1 461 . 1 1 52 52 HIS N N 15 115.3 0.2 . 1 . . . A 52 HIS N . 18551 1 462 . 1 1 52 52 HIS ND1 N 15 172.6 0.2 . 1 . . . A 52 HIS ND1 . 18551 1 463 . 1 1 52 52 HIS NE2 N 15 211.9 0.2 . 1 . . . A 52 HIS NE2 . 18551 1 464 . 1 1 53 53 ALA H H 1 7.63 0.02 . 1 . . . A 53 ALA H . 18551 1 465 . 1 1 53 53 ALA HA H 1 4.07 0.02 . 1 . . . A 53 ALA HA . 18551 1 466 . 1 1 53 53 ALA HB1 H 1 1.44 0.02 . 1 . . . A 53 ALA HB1 . 18551 1 467 . 1 1 53 53 ALA HB2 H 1 1.44 0.02 . 1 . . . A 53 ALA HB2 . 18551 1 468 . 1 1 53 53 ALA HB3 H 1 1.44 0.02 . 1 . . . A 53 ALA HB3 . 18551 1 469 . 1 1 53 53 ALA C C 13 178.3 0.2 . 1 . . . A 53 ALA C . 18551 1 470 . 1 1 53 53 ALA CA C 13 54.6 0.2 . 1 . . . A 53 ALA CA . 18551 1 471 . 1 1 53 53 ALA CB C 13 18.6 0.2 . 1 . . . A 53 ALA CB . 18551 1 472 . 1 1 53 53 ALA N N 15 122.1 0.2 . 1 . . . A 53 ALA N . 18551 1 473 . 1 1 54 54 ALA H H 1 8.18 0.02 . 1 . . . A 54 ALA H . 18551 1 474 . 1 1 54 54 ALA HA H 1 4.29 0.02 . 1 . . . A 54 ALA HA . 18551 1 475 . 1 1 54 54 ALA HB1 H 1 1.39 0.02 . 1 . . . A 54 ALA HB1 . 18551 1 476 . 1 1 54 54 ALA HB2 H 1 1.39 0.02 . 1 . . . A 54 ALA HB2 . 18551 1 477 . 1 1 54 54 ALA HB3 H 1 1.39 0.02 . 1 . . . A 54 ALA HB3 . 18551 1 478 . 1 1 54 54 ALA C C 13 177.7 0.2 . 1 . . . A 54 ALA C . 18551 1 479 . 1 1 54 54 ALA CA C 13 52.8 0.2 . 1 . . . A 54 ALA CA . 18551 1 480 . 1 1 54 54 ALA CB C 13 19 0.2 . 1 . . . A 54 ALA CB . 18551 1 481 . 1 1 54 54 ALA N N 15 118.2 0.2 . 1 . . . A 54 ALA N . 18551 1 482 . 1 1 55 55 GLN H H 1 8.1 0.02 . 1 . . . A 55 GLN H . 18551 1 483 . 1 1 55 55 GLN HA H 1 4.38 0.02 . 1 . . . A 55 GLN HA . 18551 1 484 . 1 1 55 55 GLN HB2 H 1 2.22 0.02 . 2 . . . A 55 GLN HB2 . 18551 1 485 . 1 1 55 55 GLN HB3 H 1 2.03 0.02 . 2 . . . A 55 GLN HB3 . 18551 1 486 . 1 1 55 55 GLN HG2 H 1 2.31 0.02 . 2 . . . A 55 GLN HG2 . 18551 1 487 . 1 1 55 55 GLN HG3 H 1 2.26 0.02 . 2 . . . A 55 GLN HG3 . 18551 1 488 . 1 1 55 55 GLN HE21 H 1 7.54 0.02 . 1 . . . A 55 GLN HE21 . 18551 1 489 . 1 1 55 55 GLN HE22 H 1 6.89 0.02 . 1 . . . A 55 GLN HE22 . 18551 1 490 . 1 1 55 55 GLN C C 13 173.7 0.2 . 1 . . . A 55 GLN C . 18551 1 491 . 1 1 55 55 GLN CA C 13 55.5 0.2 . 1 . . . A 55 GLN CA . 18551 1 492 . 1 1 55 55 GLN CB C 13 30.3 0.2 . 1 . . . A 55 GLN CB . 18551 1 493 . 1 1 55 55 GLN CG C 13 34.5 0.2 . 1 . . . A 55 GLN CG . 18551 1 494 . 1 1 55 55 GLN N N 15 118.2 0.2 . 1 . . . A 55 GLN N . 18551 1 495 . 1 1 55 55 GLN NE2 N 15 112.5 0.2 . 1 . . . A 55 GLN NE2 . 18551 1 496 . 1 1 56 56 VAL H H 1 7.15 0.02 . 1 . . . A 56 VAL H . 18551 1 497 . 1 1 56 56 VAL HA H 1 4.41 0.02 . 1 . . . A 56 VAL HA . 18551 1 498 . 1 1 56 56 VAL HB H 1 1.9 0.02 . 1 . . . A 56 VAL HB . 18551 1 499 . 1 1 56 56 VAL HG11 H 1 0.77 0.02 . 1 . . . A 56 VAL HG11 . 18551 1 500 . 1 1 56 56 VAL HG12 H 1 0.77 0.02 . 1 . . . A 56 VAL HG12 . 18551 1 501 . 1 1 56 56 VAL HG13 H 1 0.77 0.02 . 1 . . . A 56 VAL HG13 . 18551 1 502 . 1 1 56 56 VAL HG21 H 1 0.76 0.02 . 1 . . . A 56 VAL HG21 . 18551 1 503 . 1 1 56 56 VAL HG22 H 1 0.76 0.02 . 1 . . . A 56 VAL HG22 . 18551 1 504 . 1 1 56 56 VAL HG23 H 1 0.76 0.02 . 1 . . . A 56 VAL HG23 . 18551 1 505 . 1 1 56 56 VAL C C 13 174.5 0.2 . 1 . . . A 56 VAL C . 18551 1 506 . 1 1 56 56 VAL CA C 13 60.9 0.2 . 1 . . . A 56 VAL CA . 18551 1 507 . 1 1 56 56 VAL CB C 13 33.9 0.2 . 1 . . . A 56 VAL CB . 18551 1 508 . 1 1 56 56 VAL CG1 C 13 21.3 0.2 . 1 . . . A 56 VAL CG1 . 18551 1 509 . 1 1 56 56 VAL CG2 C 13 20.1 0.2 . 1 . . . A 56 VAL CG2 . 18551 1 510 . 1 1 56 56 VAL N N 15 115.3 0.2 . 1 . . . A 56 VAL N . 18551 1 511 . 1 1 57 57 PHE H H 1 8.78 0.02 . 1 . . . A 57 PHE H . 18551 1 512 . 1 1 57 57 PHE HA H 1 4.83 0.02 . 1 . . . A 57 PHE HA . 18551 1 513 . 1 1 57 57 PHE HB2 H 1 2.92 0.02 . 2 . . . A 57 PHE HB2 . 18551 1 514 . 1 1 57 57 PHE HB3 H 1 2.69 0.02 . 2 . . . A 57 PHE HB3 . 18551 1 515 . 1 1 57 57 PHE HD1 H 1 7.03 0.02 . 3 . . . A 57 PHE HD1 . 18551 1 516 . 1 1 57 57 PHE HD2 H 1 7.03 0.02 . 3 . . . A 57 PHE HD2 . 18551 1 517 . 1 1 57 57 PHE HE1 H 1 7.25 0.02 . 3 . . . A 57 PHE HE1 . 18551 1 518 . 1 1 57 57 PHE HE2 H 1 7.25 0.02 . 3 . . . A 57 PHE HE2 . 18551 1 519 . 1 1 57 57 PHE HZ H 1 7.28 0.02 . 1 . . . A 57 PHE HZ . 18551 1 520 . 1 1 57 57 PHE CA C 13 55.2 0.2 . 1 . . . A 57 PHE CA . 18551 1 521 . 1 1 57 57 PHE CB C 13 40 0.2 . 1 . . . A 57 PHE CB . 18551 1 522 . 1 1 57 57 PHE CD1 C 13 131.9 0.2 . 3 . . . A 57 PHE CD1 . 18551 1 523 . 1 1 57 57 PHE CD2 C 13 131.9 0.2 . 3 . . . A 57 PHE CD2 . 18551 1 524 . 1 1 57 57 PHE CE1 C 13 131.7 0.2 . 3 . . . A 57 PHE CE1 . 18551 1 525 . 1 1 57 57 PHE CE2 C 13 131.7 0.2 . 3 . . . A 57 PHE CE2 . 18551 1 526 . 1 1 57 57 PHE CZ C 13 129.6 0.2 . 1 . . . A 57 PHE CZ . 18551 1 527 . 1 1 57 57 PHE N N 15 122.7 0.2 . 1 . . . A 57 PHE N . 18551 1 528 . 1 1 58 58 PRO HA H 1 4.72 0.02 . 1 . . . A 58 PRO HA . 18551 1 529 . 1 1 58 58 PRO HB2 H 1 2.1 0.02 . 2 . . . A 58 PRO HB2 . 18551 1 530 . 1 1 58 58 PRO HB3 H 1 1.92 0.02 . 2 . . . A 58 PRO HB3 . 18551 1 531 . 1 1 58 58 PRO HG2 H 1 2.1 0.02 . 2 . . . A 58 PRO HG2 . 18551 1 532 . 1 1 58 58 PRO HG3 H 1 1.86 0.02 . 2 . . . A 58 PRO HG3 . 18551 1 533 . 1 1 58 58 PRO HD2 H 1 3.79 0.02 . 2 . . . A 58 PRO HD2 . 18551 1 534 . 1 1 58 58 PRO HD3 H 1 3.56 0.02 . 2 . . . A 58 PRO HD3 . 18551 1 535 . 1 1 58 58 PRO C C 13 175.7 0.2 . 1 . . . A 58 PRO C . 18551 1 536 . 1 1 58 58 PRO CA C 13 62.1 0.2 . 1 . . . A 58 PRO CA . 18551 1 537 . 1 1 58 58 PRO CB C 13 32.3 0.2 . 1 . . . A 58 PRO CB . 18551 1 538 . 1 1 58 58 PRO CG C 13 26.7 0.2 . 1 . . . A 58 PRO CG . 18551 1 539 . 1 1 58 58 PRO CD C 13 51 0.2 . 1 . . . A 58 PRO CD . 18551 1 540 . 1 1 59 59 CYS H H 1 8.6 0.02 . 1 . . . A 59 CYS H . 18551 1 541 . 1 1 59 59 CYS HA H 1 4.42 0.02 . 1 . . . A 59 CYS HA . 18551 1 542 . 1 1 59 59 CYS HB2 H 1 3.65 0.02 . 2 . . . A 59 CYS HB2 . 18551 1 543 . 1 1 59 59 CYS HB3 H 1 2.66 0.02 . 2 . . . A 59 CYS HB3 . 18551 1 544 . 1 1 59 59 CYS C C 13 176.3 0.2 . 1 . . . A 59 CYS C . 18551 1 545 . 1 1 59 59 CYS CA C 13 60.8 0.2 . 1 . . . A 59 CYS CA . 18551 1 546 . 1 1 59 59 CYS CB C 13 29.5 0.2 . 1 . . . A 59 CYS CB . 18551 1 547 . 1 1 59 59 CYS N N 15 125.2 0.2 . 1 . . . A 59 CYS N . 18551 1 548 . 1 1 60 60 LYS H H 1 8.16 0.02 . 1 . . . A 60 LYS H . 18551 1 549 . 1 1 60 60 LYS HA H 1 4.16 0.02 . 1 . . . A 60 LYS HA . 18551 1 550 . 1 1 60 60 LYS HB2 H 1 1.24 0.02 . 2 . . . A 60 LYS HB2 . 18551 1 551 . 1 1 60 60 LYS HB3 H 1 1.14 0.02 . 2 . . . A 60 LYS HB3 . 18551 1 552 . 1 1 60 60 LYS HG2 H 1 1.08 0.02 . 2 . . . A 60 LYS HG2 . 18551 1 553 . 1 1 60 60 LYS HG3 H 1 0.84 0.02 . 2 . . . A 60 LYS HG3 . 18551 1 554 . 1 1 60 60 LYS HD2 H 1 1.48 0.02 . 2 . . . A 60 LYS HD2 . 18551 1 555 . 1 1 60 60 LYS HD3 H 1 1.48 0.02 . 2 . . . A 60 LYS HD3 . 18551 1 556 . 1 1 60 60 LYS HE2 H 1 2.87 0.02 . 2 . . . A 60 LYS HE2 . 18551 1 557 . 1 1 60 60 LYS HE3 H 1 2.87 0.02 . 2 . . . A 60 LYS HE3 . 18551 1 558 . 1 1 60 60 LYS C C 13 176.8 0.2 . 1 . . . A 60 LYS C . 18551 1 559 . 1 1 60 60 LYS CA C 13 57.1 0.2 . 1 . . . A 60 LYS CA . 18551 1 560 . 1 1 60 60 LYS CB C 13 32.4 0.2 . 1 . . . A 60 LYS CB . 18551 1 561 . 1 1 60 60 LYS CG C 13 24.2 0.2 . 1 . . . A 60 LYS CG . 18551 1 562 . 1 1 60 60 LYS CD C 13 29.2 0.2 . 1 . . . A 60 LYS CD . 18551 1 563 . 1 1 60 60 LYS CE C 13 41.9 0.2 . 1 . . . A 60 LYS CE . 18551 1 564 . 1 1 60 60 LYS N N 15 126.4 0.2 . 1 . . . A 60 LYS N . 18551 1 565 . 1 1 61 61 TYR H H 1 9.69 0.02 . 1 . . . A 61 TYR H . 18551 1 566 . 1 1 61 61 TYR HA H 1 4.51 0.02 . 1 . . . A 61 TYR HA . 18551 1 567 . 1 1 61 61 TYR HB2 H 1 2.66 0.02 . 2 . . . A 61 TYR HB2 . 18551 1 568 . 1 1 61 61 TYR HB3 H 1 1.14 0.02 . 2 . . . A 61 TYR HB3 . 18551 1 569 . 1 1 61 61 TYR HD1 H 1 6.91 0.02 . 3 . . . A 61 TYR HD1 . 18551 1 570 . 1 1 61 61 TYR HD2 H 1 6.91 0.02 . 3 . . . A 61 TYR HD2 . 18551 1 571 . 1 1 61 61 TYR HE1 H 1 6.76 0.02 . 3 . . . A 61 TYR HE1 . 18551 1 572 . 1 1 61 61 TYR HE2 H 1 6.76 0.02 . 3 . . . A 61 TYR HE2 . 18551 1 573 . 1 1 61 61 TYR C C 13 174.3 0.2 . 1 . . . A 61 TYR C . 18551 1 574 . 1 1 61 61 TYR CA C 13 57.7 0.2 . 1 . . . A 61 TYR CA . 18551 1 575 . 1 1 61 61 TYR CB C 13 38 0.2 . 1 . . . A 61 TYR CB . 18551 1 576 . 1 1 61 61 TYR CD1 C 13 133.0 0.2 . 3 . . . A 61 TYR CD1 . 18551 1 577 . 1 1 61 61 TYR CD2 C 13 133.0 0.2 . 3 . . . A 61 TYR CD2 . 18551 1 578 . 1 1 61 61 TYR CE1 C 13 118.2 0.2 . 3 . . . A 61 TYR CE1 . 18551 1 579 . 1 1 61 61 TYR CE2 C 13 118.2 0.2 . 3 . . . A 61 TYR CE2 . 18551 1 580 . 1 1 61 61 TYR N N 15 121.9 0.2 . 1 . . . A 61 TYR N . 18551 1 581 . 1 1 62 62 CYS H H 1 8.22 0.02 . 1 . . . A 62 CYS H . 18551 1 582 . 1 1 62 62 CYS HA H 1 5.07 0.02 . 1 . . . A 62 CYS HA . 18551 1 583 . 1 1 62 62 CYS HB2 H 1 3.5 0.02 . 2 . . . A 62 CYS HB2 . 18551 1 584 . 1 1 62 62 CYS HB3 H 1 3.2 0.02 . 2 . . . A 62 CYS HB3 . 18551 1 585 . 1 1 62 62 CYS CA C 13 58.2 0.2 . 1 . . . A 62 CYS CA . 18551 1 586 . 1 1 62 62 CYS CB C 13 29.6 0.2 . 1 . . . A 62 CYS CB . 18551 1 587 . 1 1 62 62 CYS N N 15 122.8 0.2 . 1 . . . A 62 CYS N . 18551 1 588 . 1 1 63 63 PRO HA H 1 4.57 0.02 . 1 . . . A 63 PRO HA . 18551 1 589 . 1 1 63 63 PRO HB2 H 1 2.34 0.02 . 2 . . . A 63 PRO HB2 . 18551 1 590 . 1 1 63 63 PRO HB3 H 1 1.94 0.02 . 2 . . . A 63 PRO HB3 . 18551 1 591 . 1 1 63 63 PRO HG2 H 1 2.01 0.02 . 2 . . . A 63 PRO HG2 . 18551 1 592 . 1 1 63 63 PRO HG3 H 1 1.91 0.02 . 2 . . . A 63 PRO HG3 . 18551 1 593 . 1 1 63 63 PRO HD2 H 1 3.84 0.02 . 2 . . . A 63 PRO HD2 . 18551 1 594 . 1 1 63 63 PRO HD3 H 1 3.58 0.02 . 2 . . . A 63 PRO HD3 . 18551 1 595 . 1 1 63 63 PRO C C 13 176.5 0.2 . 1 . . . A 63 PRO C . 18551 1 596 . 1 1 63 63 PRO CA C 13 64.1 0.2 . 1 . . . A 63 PRO CA . 18551 1 597 . 1 1 63 63 PRO CB C 13 31.9 0.2 . 1 . . . A 63 PRO CB . 18551 1 598 . 1 1 63 63 PRO CG C 13 27.6 0.2 . 1 . . . A 63 PRO CG . 18551 1 599 . 1 1 63 63 PRO CD C 13 50.8 0.2 . 1 . . . A 63 PRO CD . 18551 1 600 . 1 1 64 64 ALA H H 1 8.56 0.02 . 1 . . . A 64 ALA H . 18551 1 601 . 1 1 64 64 ALA HA H 1 4.03 0.02 . 1 . . . A 64 ALA HA . 18551 1 602 . 1 1 64 64 ALA HB1 H 1 1.01 0.02 . 1 . . . A 64 ALA HB1 . 18551 1 603 . 1 1 64 64 ALA HB2 H 1 1.01 0.02 . 1 . . . A 64 ALA HB2 . 18551 1 604 . 1 1 64 64 ALA HB3 H 1 1.01 0.02 . 1 . . . A 64 ALA HB3 . 18551 1 605 . 1 1 64 64 ALA C C 13 176.1 0.2 . 1 . . . A 64 ALA C . 18551 1 606 . 1 1 64 64 ALA CA C 13 53.9 0.2 . 1 . . . A 64 ALA CA . 18551 1 607 . 1 1 64 64 ALA CB C 13 20.2 0.2 . 1 . . . A 64 ALA CB . 18551 1 608 . 1 1 64 64 ALA N N 15 125.4 0.2 . 1 . . . A 64 ALA N . 18551 1 609 . 1 1 65 65 THR H H 1 7.61 0.02 . 1 . . . A 65 THR H . 18551 1 610 . 1 1 65 65 THR HA H 1 4.44 0.02 . 1 . . . A 65 THR HA . 18551 1 611 . 1 1 65 65 THR HB H 1 3.6 0.02 . 1 . . . A 65 THR HB . 18551 1 612 . 1 1 65 65 THR HG21 H 1 0.9 0.02 . 1 . . . A 65 THR HG21 . 18551 1 613 . 1 1 65 65 THR HG22 H 1 0.9 0.02 . 1 . . . A 65 THR HG22 . 18551 1 614 . 1 1 65 65 THR HG23 H 1 0.9 0.02 . 1 . . . A 65 THR HG23 . 18551 1 615 . 1 1 65 65 THR C C 13 171.4 0.2 . 1 . . . A 65 THR C . 18551 1 616 . 1 1 65 65 THR CA C 13 61.4 0.2 . 1 . . . A 65 THR CA . 18551 1 617 . 1 1 65 65 THR CB C 13 71.6 0.2 . 1 . . . A 65 THR CB . 18551 1 618 . 1 1 65 65 THR CG2 C 13 21.6 0.2 . 1 . . . A 65 THR CG2 . 18551 1 619 . 1 1 65 65 THR N N 15 113.2 0.2 . 1 . . . A 65 THR N . 18551 1 620 . 1 1 66 66 PHE H H 1 7.65 0.02 . 1 . . . A 66 PHE H . 18551 1 621 . 1 1 66 66 PHE HA H 1 4.42 0.02 . 1 . . . A 66 PHE HA . 18551 1 622 . 1 1 66 66 PHE HB2 H 1 3.53 0.02 . 2 . . . A 66 PHE HB2 . 18551 1 623 . 1 1 66 66 PHE HB3 H 1 2.93 0.02 . 2 . . . A 66 PHE HB3 . 18551 1 624 . 1 1 66 66 PHE HD1 H 1 7.26 0.02 . 3 . . . A 66 PHE HD1 . 18551 1 625 . 1 1 66 66 PHE HD2 H 1 7.26 0.02 . 3 . . . A 66 PHE HD2 . 18551 1 626 . 1 1 66 66 PHE HE1 H 1 6.8 0.02 . 3 . . . A 66 PHE HE1 . 18551 1 627 . 1 1 66 66 PHE HE2 H 1 6.8 0.02 . 3 . . . A 66 PHE HE2 . 18551 1 628 . 1 1 66 66 PHE HZ H 1 6.54 0.02 . 1 . . . A 66 PHE HZ . 18551 1 629 . 1 1 66 66 PHE CA C 13 57.2 0.2 . 1 . . . A 66 PHE CA . 18551 1 630 . 1 1 66 66 PHE CB C 13 42.7 0.2 . 1 . . . A 66 PHE CB . 18551 1 631 . 1 1 66 66 PHE CD1 C 13 131.2 0.2 . 3 . . . A 66 PHE CD1 . 18551 1 632 . 1 1 66 66 PHE CD2 C 13 131.2 0.2 . 3 . . . A 66 PHE CD2 . 18551 1 633 . 1 1 66 66 PHE CE1 C 13 131.1 0.2 . 3 . . . A 66 PHE CE1 . 18551 1 634 . 1 1 66 66 PHE CE2 C 13 131.1 0.2 . 3 . . . A 66 PHE CE2 . 18551 1 635 . 1 1 66 66 PHE CZ C 13 129.5 0.2 . 1 . . . A 66 PHE CZ . 18551 1 636 . 1 1 66 66 PHE N N 15 120.9 0.2 . 1 . . . A 66 PHE N . 18551 1 637 . 1 1 67 67 TYR HA H 1 5.28 0.02 . 1 . . . A 67 TYR HA . 18551 1 638 . 1 1 67 67 TYR HB2 H 1 3.53 0.02 . 2 . . . A 67 TYR HB2 . 18551 1 639 . 1 1 67 67 TYR HB3 H 1 2.83 0.02 . 2 . . . A 67 TYR HB3 . 18551 1 640 . 1 1 67 67 TYR HD1 H 1 7.19 0.02 . 3 . . . A 67 TYR HD1 . 18551 1 641 . 1 1 67 67 TYR HD2 H 1 7.19 0.02 . 3 . . . A 67 TYR HD2 . 18551 1 642 . 1 1 67 67 TYR HE1 H 1 6.69 0.02 . 3 . . . A 67 TYR HE1 . 18551 1 643 . 1 1 67 67 TYR HE2 H 1 6.69 0.02 . 3 . . . A 67 TYR HE2 . 18551 1 644 . 1 1 67 67 TYR C C 13 174.8 0.2 . 1 . . . A 67 TYR C . 18551 1 645 . 1 1 67 67 TYR CA C 13 57.8 0.2 . 1 . . . A 67 TYR CA . 18551 1 646 . 1 1 67 67 TYR CB C 13 38.5 0.2 . 1 . . . A 67 TYR CB . 18551 1 647 . 1 1 67 67 TYR CD1 C 13 133.1 0.2 . 3 . . . A 67 TYR CD1 . 18551 1 648 . 1 1 67 67 TYR CD2 C 13 133.1 0.2 . 3 . . . A 67 TYR CD2 . 18551 1 649 . 1 1 67 67 TYR CE1 C 13 118.2 0.2 . 3 . . . A 67 TYR CE1 . 18551 1 650 . 1 1 67 67 TYR CE2 C 13 118.2 0.2 . 3 . . . A 67 TYR CE2 . 18551 1 651 . 1 1 68 68 SER H H 1 7.68 0.02 . 1 . . . A 68 SER H . 18551 1 652 . 1 1 68 68 SER HA H 1 4.44 0.02 . 1 . . . A 68 SER HA . 18551 1 653 . 1 1 68 68 SER HB2 H 1 3.97 0.02 . 2 . . . A 68 SER HB2 . 18551 1 654 . 1 1 68 68 SER HB3 H 1 3.97 0.02 . 2 . . . A 68 SER HB3 . 18551 1 655 . 1 1 68 68 SER C C 13 172.2 0.2 . 1 . . . A 68 SER C . 18551 1 656 . 1 1 68 68 SER CA C 13 57 0.2 . 1 . . . A 68 SER CA . 18551 1 657 . 1 1 68 68 SER CB C 13 66.4 0.2 . 1 . . . A 68 SER CB . 18551 1 658 . 1 1 68 68 SER N N 15 112.8 0.2 . 1 . . . A 68 SER N . 18551 1 659 . 1 1 69 69 SER H H 1 8.6 0.02 . 1 . . . A 69 SER H . 18551 1 660 . 1 1 69 69 SER HA H 1 3.63 0.02 . 1 . . . A 69 SER HA . 18551 1 661 . 1 1 69 69 SER HB2 H 1 3.67 0.02 . 2 . . . A 69 SER HB2 . 18551 1 662 . 1 1 69 69 SER HB3 H 1 3.57 0.02 . 2 . . . A 69 SER HB3 . 18551 1 663 . 1 1 69 69 SER CA C 13 61.9 0.2 . 1 . . . A 69 SER CA . 18551 1 664 . 1 1 69 69 SER CB C 13 60.9 0.2 . 1 . . . A 69 SER CB . 18551 1 665 . 1 1 69 69 SER N N 15 117.8 0.2 . 1 . . . A 69 SER N . 18551 1 666 . 1 1 70 70 PRO HA H 1 4.26 0.02 . 1 . . . A 70 PRO HA . 18551 1 667 . 1 1 70 70 PRO HB2 H 1 2.29 0.02 . 2 . . . A 70 PRO HB2 . 18551 1 668 . 1 1 70 70 PRO HB3 H 1 1.7 0.02 . 2 . . . A 70 PRO HB3 . 18551 1 669 . 1 1 70 70 PRO HG2 H 1 2.06 0.02 . 2 . . . A 70 PRO HG2 . 18551 1 670 . 1 1 70 70 PRO HG3 H 1 1.89 0.02 . 2 . . . A 70 PRO HG3 . 18551 1 671 . 1 1 70 70 PRO HD2 H 1 3.81 0.02 . 2 . . . A 70 PRO HD2 . 18551 1 672 . 1 1 70 70 PRO HD3 H 1 3.61 0.02 . 2 . . . A 70 PRO HD3 . 18551 1 673 . 1 1 70 70 PRO C C 13 179 0.2 . 1 . . . A 70 PRO C . 18551 1 674 . 1 1 70 70 PRO CA C 13 65.7 0.2 . 1 . . . A 70 PRO CA . 18551 1 675 . 1 1 70 70 PRO CB C 13 31 0.2 . 1 . . . A 70 PRO CB . 18551 1 676 . 1 1 70 70 PRO CG C 13 28.4 0.2 . 1 . . . A 70 PRO CG . 18551 1 677 . 1 1 70 70 PRO CD C 13 50.2 0.2 . 1 . . . A 70 PRO CD . 18551 1 678 . 1 1 71 71 GLY H H 1 7.57 0.02 . 1 . . . A 71 GLY H . 18551 1 679 . 1 1 71 71 GLY HA2 H 1 3.84 0.02 . 2 . . . A 71 GLY HA2 . 18551 1 680 . 1 1 71 71 GLY HA3 H 1 3.61 0.02 . 2 . . . A 71 GLY HA3 . 18551 1 681 . 1 1 71 71 GLY C C 13 175.7 0.2 . 1 . . . A 71 GLY C . 18551 1 682 . 1 1 71 71 GLY CA C 13 46.7 0.2 . 1 . . . A 71 GLY CA . 18551 1 683 . 1 1 71 71 GLY N N 15 105 0.2 . 1 . . . A 71 GLY N . 18551 1 684 . 1 1 72 72 LEU H H 1 7.24 0.02 . 1 . . . A 72 LEU H . 18551 1 685 . 1 1 72 72 LEU HA H 1 3.49 0.02 . 1 . . . A 72 LEU HA . 18551 1 686 . 1 1 72 72 LEU HB2 H 1 2.05 0.02 . 2 . . . A 72 LEU HB2 . 18551 1 687 . 1 1 72 72 LEU HB3 H 1 1.51 0.02 . 2 . . . A 72 LEU HB3 . 18551 1 688 . 1 1 72 72 LEU HG H 1 1.63 0.02 . 1 . . . A 72 LEU HG . 18551 1 689 . 1 1 72 72 LEU HD11 H 1 1.16 0.02 . 1 . . . A 72 LEU HD11 . 18551 1 690 . 1 1 72 72 LEU HD12 H 1 1.16 0.02 . 1 . . . A 72 LEU HD12 . 18551 1 691 . 1 1 72 72 LEU HD13 H 1 1.16 0.02 . 1 . . . A 72 LEU HD13 . 18551 1 692 . 1 1 72 72 LEU HD21 H 1 1.05 0.02 . 1 . . . A 72 LEU HD21 . 18551 1 693 . 1 1 72 72 LEU HD22 H 1 1.05 0.02 . 1 . . . A 72 LEU HD22 . 18551 1 694 . 1 1 72 72 LEU HD23 H 1 1.05 0.02 . 1 . . . A 72 LEU HD23 . 18551 1 695 . 1 1 72 72 LEU C C 13 177.9 0.2 . 1 . . . A 72 LEU C . 18551 1 696 . 1 1 72 72 LEU CA C 13 57.8 0.2 . 1 . . . A 72 LEU CA . 18551 1 697 . 1 1 72 72 LEU CB C 13 40.3 0.2 . 1 . . . A 72 LEU CB . 18551 1 698 . 1 1 72 72 LEU CG C 13 27.5 0.2 . 1 . . . A 72 LEU CG . 18551 1 699 . 1 1 72 72 LEU CD1 C 13 22.2 0.2 . 1 . . . A 72 LEU CD1 . 18551 1 700 . 1 1 72 72 LEU CD2 C 13 26.2 0.2 . 1 . . . A 72 LEU CD2 . 18551 1 701 . 1 1 72 72 LEU N N 15 123.6 0.2 . 1 . . . A 72 LEU N . 18551 1 702 . 1 1 73 73 THR H H 1 8.49 0.02 . 1 . . . A 73 THR H . 18551 1 703 . 1 1 73 73 THR HA H 1 3.71 0.02 . 1 . . . A 73 THR HA . 18551 1 704 . 1 1 73 73 THR HB H 1 4.11 0.02 . 1 . . . A 73 THR HB . 18551 1 705 . 1 1 73 73 THR HG21 H 1 1.19 0.02 . 1 . . . A 73 THR HG21 . 18551 1 706 . 1 1 73 73 THR HG22 H 1 1.19 0.02 . 1 . . . A 73 THR HG22 . 18551 1 707 . 1 1 73 73 THR HG23 H 1 1.19 0.02 . 1 . . . A 73 THR HG23 . 18551 1 708 . 1 1 73 73 THR C C 13 176.1 0.2 . 1 . . . A 73 THR C . 18551 1 709 . 1 1 73 73 THR CA C 13 67.3 0.2 . 1 . . . A 73 THR CA . 18551 1 710 . 1 1 73 73 THR CB C 13 68.7 0.2 . 1 . . . A 73 THR CB . 18551 1 711 . 1 1 73 73 THR CG2 C 13 21.8 0.2 . 1 . . . A 73 THR CG2 . 18551 1 712 . 1 1 73 73 THR N N 15 117.1 0.2 . 1 . . . A 73 THR N . 18551 1 713 . 1 1 74 74 ARG H H 1 8.05 0.02 . 1 . . . A 74 ARG H . 18551 1 714 . 1 1 74 74 ARG HA H 1 3.98 0.02 . 1 . . . A 74 ARG HA . 18551 1 715 . 1 1 74 74 ARG HB2 H 1 1.84 0.02 . 2 . . . A 74 ARG HB2 . 18551 1 716 . 1 1 74 74 ARG HB3 H 1 1.79 0.02 . 2 . . . A 74 ARG HB3 . 18551 1 717 . 1 1 74 74 ARG HG2 H 1 1.77 0.02 . 2 . . . A 74 ARG HG2 . 18551 1 718 . 1 1 74 74 ARG HG3 H 1 1.57 0.02 . 2 . . . A 74 ARG HG3 . 18551 1 719 . 1 1 74 74 ARG C C 13 178.5 0.2 . 1 . . . A 74 ARG C . 18551 1 720 . 1 1 74 74 ARG CA C 13 59.6 0.2 . 1 . . . A 74 ARG CA . 18551 1 721 . 1 1 74 74 ARG CB C 13 30.1 0.2 . 1 . . . A 74 ARG CB . 18551 1 722 . 1 1 74 74 ARG CG C 13 27.8 0.2 . 1 . . . A 74 ARG CG . 18551 1 723 . 1 1 74 74 ARG CD C 13 43.6 0.2 . 1 . . . A 74 ARG CD . 18551 1 724 . 1 1 74 74 ARG N N 15 120.2 0.2 . 1 . . . A 74 ARG N . 18551 1 725 . 1 1 75 75 HIS H H 1 7.26 0.02 . 1 . . . A 75 HIS H . 18551 1 726 . 1 1 75 75 HIS HA H 1 4.27 0.02 . 1 . . . A 75 HIS HA . 18551 1 727 . 1 1 75 75 HIS HB2 H 1 3.16 0.02 . 2 . . . A 75 HIS HB2 . 18551 1 728 . 1 1 75 75 HIS HB3 H 1 2.67 0.02 . 2 . . . A 75 HIS HB3 . 18551 1 729 . 1 1 75 75 HIS HD2 H 1 7.33 0.02 . 1 . . . A 75 HIS HD2 . 18551 1 730 . 1 1 75 75 HIS HE1 H 1 7.99 0.02 . 1 . . . A 75 HIS HE1 . 18551 1 731 . 1 1 75 75 HIS C C 13 176.9 0.2 . 1 . . . A 75 HIS C . 18551 1 732 . 1 1 75 75 HIS CA C 13 59.6 0.2 . 1 . . . A 75 HIS CA . 18551 1 733 . 1 1 75 75 HIS CB C 13 28.9 0.2 . 1 . . . A 75 HIS CB . 18551 1 734 . 1 1 75 75 HIS CD2 C 13 127.7 0.2 . 1 . . . A 75 HIS CD2 . 18551 1 735 . 1 1 75 75 HIS CE1 C 13 140.1 0.2 . 1 . . . A 75 HIS CE1 . 18551 1 736 . 1 1 75 75 HIS N N 15 118.7 0.2 . 1 . . . A 75 HIS N . 18551 1 737 . 1 1 75 75 HIS ND1 N 15 173.9 0.2 . 1 . . . A 75 HIS ND1 . 18551 1 738 . 1 1 75 75 HIS NE2 N 15 218.7 0.2 . 1 . . . A 75 HIS NE2 . 18551 1 739 . 1 1 76 76 ILE H H 1 8.83 0.02 . 1 . . . A 76 ILE H . 18551 1 740 . 1 1 76 76 ILE HA H 1 3.42 0.02 . 1 . . . A 76 ILE HA . 18551 1 741 . 1 1 76 76 ILE HB H 1 1.98 0.02 . 1 . . . A 76 ILE HB . 18551 1 742 . 1 1 76 76 ILE HG12 H 1 2.2 0.02 . 2 . . . A 76 ILE HG12 . 18551 1 743 . 1 1 76 76 ILE HG13 H 1 1.42 0.02 . 2 . . . A 76 ILE HG13 . 18551 1 744 . 1 1 76 76 ILE HG21 H 1 1.03 0.02 . 1 . . . A 76 ILE HG21 . 18551 1 745 . 1 1 76 76 ILE HG22 H 1 1.03 0.02 . 1 . . . A 76 ILE HG22 . 18551 1 746 . 1 1 76 76 ILE HG23 H 1 1.03 0.02 . 1 . . . A 76 ILE HG23 . 18551 1 747 . 1 1 76 76 ILE HD11 H 1 1.18 0.02 . 1 . . . A 76 ILE HD11 . 18551 1 748 . 1 1 76 76 ILE HD12 H 1 1.18 0.02 . 1 . . . A 76 ILE HD12 . 18551 1 749 . 1 1 76 76 ILE HD13 H 1 1.18 0.02 . 1 . . . A 76 ILE HD13 . 18551 1 750 . 1 1 76 76 ILE C C 13 177.8 0.2 . 1 . . . A 76 ILE C . 18551 1 751 . 1 1 76 76 ILE CA C 13 66.3 0.2 . 1 . . . A 76 ILE CA . 18551 1 752 . 1 1 76 76 ILE CB C 13 38 0.2 . 1 . . . A 76 ILE CB . 18551 1 753 . 1 1 76 76 ILE CG1 C 13 30.6 0.2 . 1 . . . A 76 ILE CG1 . 18551 1 754 . 1 1 76 76 ILE CG2 C 13 17.8 0.2 . 1 . . . A 76 ILE CG2 . 18551 1 755 . 1 1 76 76 ILE CD1 C 13 14.2 0.2 . 1 . . . A 76 ILE CD1 . 18551 1 756 . 1 1 76 76 ILE N N 15 121.6 0.2 . 1 . . . A 76 ILE N . 18551 1 757 . 1 1 77 77 ASN H H 1 7.92 0.02 . 1 . . . A 77 ASN H . 18551 1 758 . 1 1 77 77 ASN HA H 1 4.27 0.02 . 1 . . . A 77 ASN HA . 18551 1 759 . 1 1 77 77 ASN HB2 H 1 2.79 0.02 . 2 . . . A 77 ASN HB2 . 18551 1 760 . 1 1 77 77 ASN HB3 H 1 2.73 0.02 . 2 . . . A 77 ASN HB3 . 18551 1 761 . 1 1 77 77 ASN HD21 H 1 7.48 0.02 . 1 . . . A 77 ASN HD21 . 18551 1 762 . 1 1 77 77 ASN HD22 H 1 6.88 0.02 . 1 . . . A 77 ASN HD22 . 18551 1 763 . 1 1 77 77 ASN C C 13 176.4 0.2 . 1 . . . A 77 ASN C . 18551 1 764 . 1 1 77 77 ASN CA C 13 55.8 0.2 . 1 . . . A 77 ASN CA . 18551 1 765 . 1 1 77 77 ASN CB C 13 38.4 0.2 . 1 . . . A 77 ASN CB . 18551 1 766 . 1 1 77 77 ASN N N 15 115.9 0.2 . 1 . . . A 77 ASN N . 18551 1 767 . 1 1 77 77 ASN ND2 N 15 111.6 0.2 . 1 . . . A 77 ASN ND2 . 18551 1 768 . 1 1 78 78 LYS H H 1 7.58 0.02 . 1 . . . A 78 LYS H . 18551 1 769 . 1 1 78 78 LYS HA H 1 4.17 0.02 . 1 . . . A 78 LYS HA . 18551 1 770 . 1 1 78 78 LYS HB2 H 1 1.86 0.02 . 2 . . . A 78 LYS HB2 . 18551 1 771 . 1 1 78 78 LYS HB3 H 1 1.86 0.02 . 2 . . . A 78 LYS HB3 . 18551 1 772 . 1 1 78 78 LYS HG2 H 1 1.45 0.02 . 2 . . . A 78 LYS HG2 . 18551 1 773 . 1 1 78 78 LYS HG3 H 1 1.45 0.02 . 2 . . . A 78 LYS HG3 . 18551 1 774 . 1 1 78 78 LYS HD2 H 1 1.67 0.02 . 2 . . . A 78 LYS HD2 . 18551 1 775 . 1 1 78 78 LYS HD3 H 1 1.67 0.02 . 2 . . . A 78 LYS HD3 . 18551 1 776 . 1 1 78 78 LYS HE2 H 1 2.98 0.02 . 2 . . . A 78 LYS HE2 . 18551 1 777 . 1 1 78 78 LYS HE3 H 1 2.98 0.02 . 2 . . . A 78 LYS HE3 . 18551 1 778 . 1 1 78 78 LYS C C 13 178.4 0.2 . 1 . . . A 78 LYS C . 18551 1 779 . 1 1 78 78 LYS CA C 13 58.1 0.2 . 1 . . . A 78 LYS CA . 18551 1 780 . 1 1 78 78 LYS CB C 13 34 0.2 . 1 . . . A 78 LYS CB . 18551 1 781 . 1 1 78 78 LYS CG C 13 24.9 0.2 . 1 . . . A 78 LYS CG . 18551 1 782 . 1 1 78 78 LYS CD C 13 29 0.2 . 1 . . . A 78 LYS CD . 18551 1 783 . 1 1 78 78 LYS CE C 13 42.2 0.2 . 1 . . . A 78 LYS CE . 18551 1 784 . 1 1 78 78 LYS N N 15 116.2 0.2 . 1 . . . A 78 LYS N . 18551 1 785 . 1 1 79 79 CYS H H 1 8.42 0.02 . 1 . . . A 79 CYS H . 18551 1 786 . 1 1 79 79 CYS HA H 1 4.09 0.02 . 1 . . . A 79 CYS HA . 18551 1 787 . 1 1 79 79 CYS HB2 H 1 2.13 0.02 . 2 . . . A 79 CYS HB2 . 18551 1 788 . 1 1 79 79 CYS HB3 H 1 1.31 0.02 . 2 . . . A 79 CYS HB3 . 18551 1 789 . 1 1 79 79 CYS C C 13 174.2 0.2 . 1 . . . A 79 CYS C . 18551 1 790 . 1 1 79 79 CYS CA C 13 60.7 0.2 . 1 . . . A 79 CYS CA . 18551 1 791 . 1 1 79 79 CYS CB C 13 28 0.2 . 1 . . . A 79 CYS CB . 18551 1 792 . 1 1 79 79 CYS N N 15 113.9 0.2 . 1 . . . A 79 CYS N . 18551 1 793 . 1 1 80 80 HIS H H 1 8.14 0.02 . 1 . . . A 80 HIS H . 18551 1 794 . 1 1 80 80 HIS HA H 1 5.28 0.02 . 1 . . . A 80 HIS HA . 18551 1 795 . 1 1 80 80 HIS HB2 H 1 2.98 0.02 . 2 . . . A 80 HIS HB2 . 18551 1 796 . 1 1 80 80 HIS HB3 H 1 2.61 0.02 . 2 . . . A 80 HIS HB3 . 18551 1 797 . 1 1 80 80 HIS HD2 H 1 6.63 0.02 . 1 . . . A 80 HIS HD2 . 18551 1 798 . 1 1 80 80 HIS HE1 H 1 7.90 0.02 . 1 . . . A 80 HIS HE1 . 18551 1 799 . 1 1 80 80 HIS CA C 13 51.7 0.2 . 1 . . . A 80 HIS CA . 18551 1 800 . 1 1 80 80 HIS CB C 13 28.7 0.2 . 1 . . . A 80 HIS CB . 18551 1 801 . 1 1 80 80 HIS CD2 C 13 128.5 0.2 . 1 . . . A 80 HIS CD2 . 18551 1 802 . 1 1 80 80 HIS CE1 C 13 139.2 0.2 . 1 . . . A 80 HIS CE1 . 18551 1 803 . 1 1 80 80 HIS N N 15 117 0.2 . 1 . . . A 80 HIS N . 18551 1 804 . 1 1 80 80 HIS ND1 N 15 174.0 0.2 . 1 . . . A 80 HIS ND1 . 18551 1 805 . 1 1 80 80 HIS NE2 N 15 215.8 0.2 . 1 . . . A 80 HIS NE2 . 18551 1 806 . 1 1 81 81 PRO HA H 1 4.32 0.02 . 1 . . . A 81 PRO HA . 18551 1 807 . 1 1 81 81 PRO HB2 H 1 2.33 0.02 . 2 . . . A 81 PRO HB2 . 18551 1 808 . 1 1 81 81 PRO HB3 H 1 1.97 0.02 . 2 . . . A 81 PRO HB3 . 18551 1 809 . 1 1 81 81 PRO HG2 H 1 1.92 0.02 . 2 . . . A 81 PRO HG2 . 18551 1 810 . 1 1 81 81 PRO HG3 H 1 1.88 0.02 . 2 . . . A 81 PRO HG3 . 18551 1 811 . 1 1 81 81 PRO HD2 H 1 3.44 0.02 . 2 . . . A 81 PRO HD2 . 18551 1 812 . 1 1 81 81 PRO HD3 H 1 3.09 0.02 . 2 . . . A 81 PRO HD3 . 18551 1 813 . 1 1 81 81 PRO C C 13 178.1 0.2 . 1 . . . A 81 PRO C . 18551 1 814 . 1 1 81 81 PRO CA C 13 64.7 0.2 . 1 . . . A 81 PRO CA . 18551 1 815 . 1 1 81 81 PRO CB C 13 31.5 0.2 . 1 . . . A 81 PRO CB . 18551 1 816 . 1 1 81 81 PRO CG C 13 27.5 0.2 . 1 . . . A 81 PRO CG . 18551 1 817 . 1 1 81 81 PRO CD C 13 50.5 0.2 . 1 . . . A 81 PRO CD . 18551 1 818 . 1 1 82 82 SER H H 1 8.26 0.02 . 1 . . . A 82 SER H . 18551 1 819 . 1 1 82 82 SER HA H 1 4.34 0.02 . 1 . . . A 82 SER HA . 18551 1 820 . 1 1 82 82 SER HB2 H 1 3.89 0.02 . 2 . . . A 82 SER HB2 . 18551 1 821 . 1 1 82 82 SER HB3 H 1 3.82 0.02 . 2 . . . A 82 SER HB3 . 18551 1 822 . 1 1 82 82 SER C C 13 174.9 0.2 . 1 . . . A 82 SER C . 18551 1 823 . 1 1 82 82 SER CA C 13 59 0.2 . 1 . . . A 82 SER CA . 18551 1 824 . 1 1 82 82 SER CB C 13 63.3 0.2 . 1 . . . A 82 SER CB . 18551 1 825 . 1 1 82 82 SER N N 15 114.1 0.2 . 1 . . . A 82 SER N . 18551 1 826 . 1 1 83 83 GLU H H 1 7.9 0.02 . 1 . . . A 83 GLU H . 18551 1 827 . 1 1 83 83 GLU HA H 1 4.23 0.02 . 1 . . . A 83 GLU HA . 18551 1 828 . 1 1 83 83 GLU HB2 H 1 1.89 0.02 . 2 . . . A 83 GLU HB2 . 18551 1 829 . 1 1 83 83 GLU HB3 H 1 1.53 0.02 . 2 . . . A 83 GLU HB3 . 18551 1 830 . 1 1 83 83 GLU HG2 H 1 1.89 0.02 . 2 . . . A 83 GLU HG2 . 18551 1 831 . 1 1 83 83 GLU HG3 H 1 1.53 0.02 . 2 . . . A 83 GLU HG3 . 18551 1 832 . 1 1 83 83 GLU C C 13 176.3 0.2 . 1 . . . A 83 GLU C . 18551 1 833 . 1 1 83 83 GLU CA C 13 56.1 0.2 . 1 . . . A 83 GLU CA . 18551 1 834 . 1 1 83 83 GLU CB C 13 29.4 0.2 . 1 . . . A 83 GLU CB . 18551 1 835 . 1 1 83 83 GLU CG C 13 35.4 0.2 . 1 . . . A 83 GLU CG . 18551 1 836 . 1 1 83 83 GLU N N 15 120.6 0.2 . 1 . . . A 83 GLU N . 18551 1 837 . 1 1 84 84 ASN H H 1 8.18 0.02 . 1 . . . A 84 ASN H . 18551 1 838 . 1 1 84 84 ASN HA H 1 4.71 0.02 . 1 . . . A 84 ASN HA . 18551 1 839 . 1 1 84 84 ASN HB2 H 1 2.85 0.02 . 2 . . . A 84 ASN HB2 . 18551 1 840 . 1 1 84 84 ASN HB3 H 1 2.65 0.02 . 2 . . . A 84 ASN HB3 . 18551 1 841 . 1 1 84 84 ASN HD21 H 1 7.59 0.02 . 1 . . . A 84 ASN HD21 . 18551 1 842 . 1 1 84 84 ASN HD22 H 1 6.85 0.02 . 1 . . . A 84 ASN HD22 . 18551 1 843 . 1 1 84 84 ASN C C 13 174.1 0.2 . 1 . . . A 84 ASN C . 18551 1 844 . 1 1 84 84 ASN CA C 13 53.2 0.2 . 1 . . . A 84 ASN CA . 18551 1 845 . 1 1 84 84 ASN CB C 13 39 0.2 . 1 . . . A 84 ASN CB . 18551 1 846 . 1 1 84 84 ASN N N 15 119.1 0.2 . 1 . . . A 84 ASN N . 18551 1 847 . 1 1 84 84 ASN ND2 N 15 112.6 0.2 . 1 . . . A 84 ASN ND2 . 18551 1 848 . 1 1 85 85 ARG H H 1 7.84 0.02 . 1 . . . A 85 ARG H . 18551 1 849 . 1 1 85 85 ARG HA H 1 4.17 0.02 . 1 . . . A 85 ARG HA . 18551 1 850 . 1 1 85 85 ARG HB2 H 1 1.85 0.02 . 2 . . . A 85 ARG HB2 . 18551 1 851 . 1 1 85 85 ARG HB3 H 1 1.72 0.02 . 2 . . . A 85 ARG HB3 . 18551 1 852 . 1 1 85 85 ARG HG2 H 1 1.57 0.02 . 2 . . . A 85 ARG HG2 . 18551 1 853 . 1 1 85 85 ARG HG3 H 1 1.57 0.02 . 2 . . . A 85 ARG HG3 . 18551 1 854 . 1 1 85 85 ARG HD2 H 1 3.15 0.02 . 2 . . . A 85 ARG HD2 . 18551 1 855 . 1 1 85 85 ARG HD3 H 1 3.15 0.02 . 2 . . . A 85 ARG HD3 . 18551 1 856 . 1 1 85 85 ARG CA C 13 57.5 0.2 . 1 . . . A 85 ARG CA . 18551 1 857 . 1 1 85 85 ARG CB C 13 31.6 0.2 . 1 . . . A 85 ARG CB . 18551 1 858 . 1 1 85 85 ARG CG C 13 27.2 0.2 . 1 . . . A 85 ARG CG . 18551 1 859 . 1 1 85 85 ARG CD C 13 43.4 0.2 . 1 . . . A 85 ARG CD . 18551 1 860 . 1 1 85 85 ARG N N 15 126.5 0.2 . 1 . . . A 85 ARG N . 18551 1 stop_ save_