################################### # 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 16556 _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' . . . 16556 1 3 '3D 1H-15N NOESY' . . . 16556 1 4 '3D 1H-13C NOESY aliph' . . . 16556 1 5 '3D HNCO' . . . 16556 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 6 $SPARKY . . 16556 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.81 0.02 . 1 . . . . 1 MET HA . 16556 1 2 . 1 1 1 1 MET CA C 13 53.5 0.2 . 1 . . . . 1 MET CA . 16556 1 3 . 1 1 2 2 PRO HA H 1 4.46 0.02 . 1 . . . . 2 PRO HA . 16556 1 4 . 1 1 2 2 PRO HB2 H 1 1.92 0.02 . 2 . . . . 2 PRO HB2 . 16556 1 5 . 1 1 2 2 PRO HB3 H 1 2.29 0.02 . 2 . . . . 2 PRO HB3 . 16556 1 6 . 1 1 2 2 PRO HD2 H 1 3.68 0.02 . 2 . . . . 2 PRO HD2 . 16556 1 7 . 1 1 2 2 PRO HD3 H 1 3.86 0.02 . 2 . . . . 2 PRO HD3 . 16556 1 8 . 1 1 2 2 PRO HG2 H 1 2.06 0.02 . 2 . . . . 2 PRO HG2 . 16556 1 9 . 1 1 2 2 PRO HG3 H 1 2.06 0.02 . 2 . . . . 2 PRO HG3 . 16556 1 10 . 1 1 2 2 PRO C C 13 176.8 0.2 . 1 . . . . 2 PRO C . 16556 1 11 . 1 1 2 2 PRO CA C 13 63.1 0.2 . 1 . . . . 2 PRO CA . 16556 1 12 . 1 1 2 2 PRO CB C 13 32.1 0.2 . 1 . . . . 2 PRO CB . 16556 1 13 . 1 1 2 2 PRO CD C 13 50.7 0.2 . 1 . . . . 2 PRO CD . 16556 1 14 . 1 1 2 2 PRO CG C 13 27.5 0.2 . 1 . . . . 2 PRO CG . 16556 1 15 . 1 1 3 3 LEU H H 1 8.52 0.02 . 1 . . . . 3 LEU H . 16556 1 16 . 1 1 3 3 LEU HA H 1 4.26 0.02 . 1 . . . . 3 LEU HA . 16556 1 17 . 1 1 3 3 LEU HB2 H 1 1.54 0.02 . 2 . . . . 3 LEU HB2 . 16556 1 18 . 1 1 3 3 LEU HB3 H 1 1.61 0.02 . 2 . . . . 3 LEU HB3 . 16556 1 19 . 1 1 3 3 LEU HD11 H 1 0.93 0.02 . 2 . . . . 3 LEU HD1 . 16556 1 20 . 1 1 3 3 LEU HD12 H 1 0.93 0.02 . 2 . . . . 3 LEU HD1 . 16556 1 21 . 1 1 3 3 LEU HD13 H 1 0.93 0.02 . 2 . . . . 3 LEU HD1 . 16556 1 22 . 1 1 3 3 LEU HD21 H 1 0.85 0.02 . 2 . . . . 3 LEU HD2 . 16556 1 23 . 1 1 3 3 LEU HD22 H 1 0.85 0.02 . 2 . . . . 3 LEU HD2 . 16556 1 24 . 1 1 3 3 LEU HD23 H 1 0.85 0.02 . 2 . . . . 3 LEU HD2 . 16556 1 25 . 1 1 3 3 LEU HG H 1 1.71 0.02 . 1 . . . . 3 LEU HG . 16556 1 26 . 1 1 3 3 LEU C C 13 177.7 0.2 . 1 . . . . 3 LEU C . 16556 1 27 . 1 1 3 3 LEU CA C 13 55.4 0.2 . 1 . . . . 3 LEU CA . 16556 1 28 . 1 1 3 3 LEU CB C 13 42.5 0.2 . 1 . . . . 3 LEU CB . 16556 1 29 . 1 1 3 3 LEU CD1 C 13 24.8 0.2 . 2 . . . . 3 LEU CD1 . 16556 1 30 . 1 1 3 3 LEU CD2 C 13 24.1 0.2 . 2 . . . . 3 LEU CD2 . 16556 1 31 . 1 1 3 3 LEU CG C 13 27.4 0.2 . 1 . . . . 3 LEU CG . 16556 1 32 . 1 1 3 3 LEU N N 15 122.4 0.2 . 1 . . . . 3 LEU N . 16556 1 33 . 1 1 4 4 GLU H H 1 8.43 0.02 . 1 . . . . 4 GLU H . 16556 1 34 . 1 1 4 4 GLU HA H 1 4.20 0.02 . 1 . . . . 4 GLU HA . 16556 1 35 . 1 1 4 4 GLU HB2 H 1 1.97 0.02 . 2 . . . . 4 GLU HB2 . 16556 1 36 . 1 1 4 4 GLU HB3 H 1 2.02 0.02 . 2 . . . . 4 GLU HB3 . 16556 1 37 . 1 1 4 4 GLU HG2 H 1 2.31 0.02 . 2 . . . . 4 GLU HG2 . 16556 1 38 . 1 1 4 4 GLU HG3 H 1 2.31 0.02 . 2 . . . . 4 GLU HG3 . 16556 1 39 . 1 1 4 4 GLU C C 13 176.4 0.2 . 1 . . . . 4 GLU C . 16556 1 40 . 1 1 4 4 GLU CA C 13 56.6 0.2 . 1 . . . . 4 GLU CA . 16556 1 41 . 1 1 4 4 GLU CB C 13 30.2 0.2 . 1 . . . . 4 GLU CB . 16556 1 42 . 1 1 4 4 GLU CG C 13 36.0 0.2 . 1 . . . . 4 GLU CG . 16556 1 43 . 1 1 4 4 GLU N N 15 122.1 0.2 . 1 . . . . 4 GLU N . 16556 1 44 . 1 1 5 5 ALA H H 1 8.42 0.02 . 1 . . . . 5 ALA H . 16556 1 45 . 1 1 5 5 ALA HA H 1 4.21 0.02 . 1 . . . . 5 ALA HA . 16556 1 46 . 1 1 5 5 ALA HB1 H 1 1.42 0.02 . 1 . . . . 5 ALA HB . 16556 1 47 . 1 1 5 5 ALA HB2 H 1 1.42 0.02 . 1 . . . . 5 ALA HB . 16556 1 48 . 1 1 5 5 ALA HB3 H 1 1.42 0.02 . 1 . . . . 5 ALA HB . 16556 1 49 . 1 1 5 5 ALA C C 13 178.7 0.2 . 1 . . . . 5 ALA C . 16556 1 50 . 1 1 5 5 ALA CA C 13 53.5 0.2 . 1 . . . . 5 ALA CA . 16556 1 51 . 1 1 5 5 ALA CB C 13 19.0 0.2 . 1 . . . . 5 ALA CB . 16556 1 52 . 1 1 5 5 ALA N N 15 125.9 0.2 . 1 . . . . 5 ALA N . 16556 1 53 . 1 1 6 6 GLY H H 1 8.53 0.02 . 1 . . . . 6 GLY H . 16556 1 54 . 1 1 6 6 GLY HA2 H 1 3.91 0.02 . 2 . . . . 6 GLY HA2 . 16556 1 55 . 1 1 6 6 GLY HA3 H 1 3.95 0.02 . 2 . . . . 6 GLY HA3 . 16556 1 56 . 1 1 6 6 GLY C C 13 174.7 0.2 . 1 . . . . 6 GLY C . 16556 1 57 . 1 1 6 6 GLY CA C 13 45.6 0.2 . 1 . . . . 6 GLY CA . 16556 1 58 . 1 1 6 6 GLY N N 15 108.1 0.2 . 1 . . . . 6 GLY N . 16556 1 59 . 1 1 7 7 LEU H H 1 7.85 0.02 . 1 . . . . 7 LEU H . 16556 1 60 . 1 1 7 7 LEU HA H 1 4.30 0.02 . 1 . . . . 7 LEU HA . 16556 1 61 . 1 1 7 7 LEU HB2 H 1 1.63 0.02 . 2 . . . . 7 LEU HB2 . 16556 1 62 . 1 1 7 7 LEU HB3 H 1 1.63 0.02 . 2 . . . . 7 LEU HB3 . 16556 1 63 . 1 1 7 7 LEU HD11 H 1 0.93 0.02 . 2 . . . . 7 LEU HD1 . 16556 1 64 . 1 1 7 7 LEU HD12 H 1 0.93 0.02 . 2 . . . . 7 LEU HD1 . 16556 1 65 . 1 1 7 7 LEU HD13 H 1 0.93 0.02 . 2 . . . . 7 LEU HD1 . 16556 1 66 . 1 1 7 7 LEU HD21 H 1 0.89 0.02 . 2 . . . . 7 LEU HD2 . 16556 1 67 . 1 1 7 7 LEU HD22 H 1 0.89 0.02 . 2 . . . . 7 LEU HD2 . 16556 1 68 . 1 1 7 7 LEU HD23 H 1 0.89 0.02 . 2 . . . . 7 LEU HD2 . 16556 1 69 . 1 1 7 7 LEU HG H 1 1.61 0.02 . 1 . . . . 7 LEU HG . 16556 1 70 . 1 1 7 7 LEU C C 13 177.7 0.2 . 1 . . . . 7 LEU C . 16556 1 71 . 1 1 7 7 LEU CA C 13 55.8 0.2 . 1 . . . . 7 LEU CA . 16556 1 72 . 1 1 7 7 LEU CB C 13 42.5 0.2 . 1 . . . . 7 LEU CB . 16556 1 73 . 1 1 7 7 LEU CD1 C 13 24.7 0.2 . 2 . . . . 7 LEU CD1 . 16556 1 74 . 1 1 7 7 LEU CD2 C 13 24.2 0.2 . 2 . . . . 7 LEU CD2 . 16556 1 75 . 1 1 7 7 LEU CG C 13 26.9 0.2 . 1 . . . . 7 LEU CG . 16556 1 76 . 1 1 7 7 LEU N N 15 121.3 0.2 . 1 . . . . 7 LEU N . 16556 1 77 . 1 1 8 8 LEU H H 1 8.19 0.02 . 1 . . . . 8 LEU H . 16556 1 78 . 1 1 8 8 LEU HA H 1 4.16 0.02 . 1 . . . . 8 LEU HA . 16556 1 79 . 1 1 8 8 LEU HB2 H 1 1.63 0.02 . 2 . . . . 8 LEU HB2 . 16556 1 80 . 1 1 8 8 LEU HB3 H 1 1.63 0.02 . 2 . . . . 8 LEU HB3 . 16556 1 81 . 1 1 8 8 LEU HD11 H 1 0.88 0.02 . 2 . . . . 8 LEU HD1 . 16556 1 82 . 1 1 8 8 LEU HD12 H 1 0.88 0.02 . 2 . . . . 8 LEU HD1 . 16556 1 83 . 1 1 8 8 LEU HD13 H 1 0.88 0.02 . 2 . . . . 8 LEU HD1 . 16556 1 84 . 1 1 8 8 LEU HD21 H 1 0.86 0.02 . 2 . . . . 8 LEU HD2 . 16556 1 85 . 1 1 8 8 LEU HD22 H 1 0.86 0.02 . 2 . . . . 8 LEU HD2 . 16556 1 86 . 1 1 8 8 LEU HD23 H 1 0.86 0.02 . 2 . . . . 8 LEU HD2 . 16556 1 87 . 1 1 8 8 LEU HG H 1 1.62 0.02 . 1 . . . . 8 LEU HG . 16556 1 88 . 1 1 8 8 LEU C C 13 177.7 0.2 . 1 . . . . 8 LEU C . 16556 1 89 . 1 1 8 8 LEU CA C 13 56.1 0.2 . 1 . . . . 8 LEU CA . 16556 1 90 . 1 1 8 8 LEU CB C 13 42.1 0.2 . 1 . . . . 8 LEU CB . 16556 1 91 . 1 1 8 8 LEU CD1 C 13 25.1 0.2 . 2 . . . . 8 LEU CD1 . 16556 1 92 . 1 1 8 8 LEU CD2 C 13 24.2 0.2 . 2 . . . . 8 LEU CD2 . 16556 1 93 . 1 1 8 8 LEU CG C 13 26.9 0.2 . 1 . . . . 8 LEU CG . 16556 1 94 . 1 1 8 8 LEU N N 15 120.6 0.2 . 1 . . . . 8 LEU N . 16556 1 95 . 1 1 9 9 GLU H H 1 8.15 0.02 . 1 . . . . 9 GLU H . 16556 1 96 . 1 1 9 9 GLU HA H 1 4.24 0.02 . 1 . . . . 9 GLU HA . 16556 1 97 . 1 1 9 9 GLU HB2 H 1 1.97 0.02 . 2 . . . . 9 GLU HB2 . 16556 1 98 . 1 1 9 9 GLU HB3 H 1 2.01 0.02 . 2 . . . . 9 GLU HB3 . 16556 1 99 . 1 1 9 9 GLU HG2 H 1 2.25 0.02 . 2 . . . . 9 GLU HG2 . 16556 1 100 . 1 1 9 9 GLU HG3 H 1 2.25 0.02 . 2 . . . . 9 GLU HG3 . 16556 1 101 . 1 1 9 9 GLU C C 13 176.4 0.2 . 1 . . . . 9 GLU C . 16556 1 102 . 1 1 9 9 GLU CA C 13 57.0 0.2 . 1 . . . . 9 GLU CA . 16556 1 103 . 1 1 9 9 GLU CB C 13 30.2 0.2 . 1 . . . . 9 GLU CB . 16556 1 104 . 1 1 9 9 GLU CG C 13 36.1 0.2 . 1 . . . . 9 GLU CG . 16556 1 105 . 1 1 9 9 GLU N N 15 118.8 0.2 . 1 . . . . 9 GLU N . 16556 1 106 . 1 1 10 10 ILE H H 1 7.86 0.02 . 1 . . . . 10 ILE H . 16556 1 107 . 1 1 10 10 ILE HA H 1 4.28 0.02 . 1 . . . . 10 ILE HA . 16556 1 108 . 1 1 10 10 ILE HB H 1 1.93 0.02 . 1 . . . . 10 ILE HB . 16556 1 109 . 1 1 10 10 ILE HD11 H 1 0.86 0.02 . 1 . . . . 10 ILE HD1 . 16556 1 110 . 1 1 10 10 ILE HD12 H 1 0.86 0.02 . 1 . . . . 10 ILE HD1 . 16556 1 111 . 1 1 10 10 ILE HD13 H 1 0.86 0.02 . 1 . . . . 10 ILE HD1 . 16556 1 112 . 1 1 10 10 ILE HG12 H 1 1.26 0.02 . 2 . . . . 10 ILE HG12 . 16556 1 113 . 1 1 10 10 ILE HG13 H 1 1.44 0.02 . 2 . . . . 10 ILE HG13 . 16556 1 114 . 1 1 10 10 ILE HG21 H 1 0.91 0.02 . 1 . . . . 10 ILE HG2 . 16556 1 115 . 1 1 10 10 ILE HG22 H 1 0.91 0.02 . 1 . . . . 10 ILE HG2 . 16556 1 116 . 1 1 10 10 ILE HG23 H 1 0.91 0.02 . 1 . . . . 10 ILE HG2 . 16556 1 117 . 1 1 10 10 ILE C C 13 176.1 0.2 . 1 . . . . 10 ILE C . 16556 1 118 . 1 1 10 10 ILE CA C 13 60.8 0.2 . 1 . . . . 10 ILE CA . 16556 1 119 . 1 1 10 10 ILE CB C 13 38.9 0.2 . 1 . . . . 10 ILE CB . 16556 1 120 . 1 1 10 10 ILE CD1 C 13 13.3 0.2 . 1 . . . . 10 ILE CD1 . 16556 1 121 . 1 1 10 10 ILE CG1 C 13 27.2 0.2 . 1 . . . . 10 ILE CG1 . 16556 1 122 . 1 1 10 10 ILE CG2 C 13 17.8 0.2 . 1 . . . . 10 ILE CG2 . 16556 1 123 . 1 1 10 10 ILE N N 15 118.6 0.2 . 1 . . . . 10 ILE N . 16556 1 124 . 1 1 11 11 LEU H H 1 8.25 0.02 . 1 . . . . 11 LEU H . 16556 1 125 . 1 1 11 11 LEU HA H 1 4.38 0.02 . 1 . . . . 11 LEU HA . 16556 1 126 . 1 1 11 11 LEU HB2 H 1 1.22 0.02 . 2 . . . . 11 LEU HB2 . 16556 1 127 . 1 1 11 11 LEU HB3 H 1 1.69 0.02 . 2 . . . . 11 LEU HB3 . 16556 1 128 . 1 1 11 11 LEU HD11 H 1 0.78 0.02 . 2 . . . . 11 LEU HD1 . 16556 1 129 . 1 1 11 11 LEU HD12 H 1 0.78 0.02 . 2 . . . . 11 LEU HD1 . 16556 1 130 . 1 1 11 11 LEU HD13 H 1 0.78 0.02 . 2 . . . . 11 LEU HD1 . 16556 1 131 . 1 1 11 11 LEU HD21 H 1 0.76 0.02 . 2 . . . . 11 LEU HD2 . 16556 1 132 . 1 1 11 11 LEU HD22 H 1 0.76 0.02 . 2 . . . . 11 LEU HD2 . 16556 1 133 . 1 1 11 11 LEU HD23 H 1 0.76 0.02 . 2 . . . . 11 LEU HD2 . 16556 1 134 . 1 1 11 11 LEU HG H 1 1.74 0.02 . 1 . . . . 11 LEU HG . 16556 1 135 . 1 1 11 11 LEU C C 13 175.2 0.2 . 1 . . . . 11 LEU C . 16556 1 136 . 1 1 11 11 LEU CA C 13 54.4 0.2 . 1 . . . . 11 LEU CA . 16556 1 137 . 1 1 11 11 LEU CB C 13 43.4 0.2 . 1 . . . . 11 LEU CB . 16556 1 138 . 1 1 11 11 LEU CD1 C 13 26.0 0.2 . 2 . . . . 11 LEU CD1 . 16556 1 139 . 1 1 11 11 LEU CD2 C 13 22.8 0.2 . 2 . . . . 11 LEU CD2 . 16556 1 140 . 1 1 11 11 LEU CG C 13 26.4 0.2 . 1 . . . . 11 LEU CG . 16556 1 141 . 1 1 11 11 LEU N N 15 125.9 0.2 . 1 . . . . 11 LEU N . 16556 1 142 . 1 1 12 12 ALA H H 1 7.92 0.02 . 1 . . . . 12 ALA H . 16556 1 143 . 1 1 12 12 ALA HA H 1 4.62 0.02 . 1 . . . . 12 ALA HA . 16556 1 144 . 1 1 12 12 ALA HB1 H 1 1.03 0.02 . 1 . . . . 12 ALA HB . 16556 1 145 . 1 1 12 12 ALA HB2 H 1 1.03 0.02 . 1 . . . . 12 ALA HB . 16556 1 146 . 1 1 12 12 ALA HB3 H 1 1.03 0.02 . 1 . . . . 12 ALA HB . 16556 1 147 . 1 1 12 12 ALA C C 13 175.7 0.2 . 1 . . . . 12 ALA C . 16556 1 148 . 1 1 12 12 ALA CA C 13 50.1 0.2 . 1 . . . . 12 ALA CA . 16556 1 149 . 1 1 12 12 ALA CB C 13 22.0 0.2 . 1 . . . . 12 ALA CB . 16556 1 150 . 1 1 12 12 ALA N N 15 123.7 0.2 . 1 . . . . 12 ALA N . 16556 1 151 . 1 1 13 13 CYS H H 1 9.31 0.02 . 1 . . . . 13 CYS H . 16556 1 152 . 1 1 13 13 CYS HA H 1 4.13 0.02 . 1 . . . . 13 CYS HA . 16556 1 153 . 1 1 13 13 CYS HB2 H 1 3.13 0.02 . 2 . . . . 13 CYS HB2 . 16556 1 154 . 1 1 13 13 CYS HB3 H 1 3.23 0.02 . 2 . . . . 13 CYS HB3 . 16556 1 155 . 1 1 13 13 CYS CA C 13 56.9 0.2 . 1 . . . . 13 CYS CA . 16556 1 156 . 1 1 13 13 CYS CB C 13 31.6 0.2 . 1 . . . . 13 CYS CB . 16556 1 157 . 1 1 13 13 CYS N N 15 124.4 0.2 . 1 . . . . 13 CYS N . 16556 1 158 . 1 1 14 14 PRO HA H 1 4.34 0.02 . 1 . . . . 14 PRO HA . 16556 1 159 . 1 1 14 14 PRO HB2 H 1 1.94 0.02 . 2 . . . . 14 PRO HB2 . 16556 1 160 . 1 1 14 14 PRO HB3 H 1 2.27 0.02 . 2 . . . . 14 PRO HB3 . 16556 1 161 . 1 1 14 14 PRO HD2 H 1 3.38 0.02 . 2 . . . . 14 PRO HD2 . 16556 1 162 . 1 1 14 14 PRO HD3 H 1 3.65 0.02 . 2 . . . . 14 PRO HD3 . 16556 1 163 . 1 1 14 14 PRO HG2 H 1 1.62 0.02 . 2 . . . . 14 PRO HG2 . 16556 1 164 . 1 1 14 14 PRO HG3 H 1 1.93 0.02 . 2 . . . . 14 PRO HG3 . 16556 1 165 . 1 1 14 14 PRO C C 13 176.3 0.2 . 1 . . . . 14 PRO C . 16556 1 166 . 1 1 14 14 PRO CA C 13 64.2 0.2 . 1 . . . . 14 PRO CA . 16556 1 167 . 1 1 14 14 PRO CB C 13 31.8 0.2 . 1 . . . . 14 PRO CB . 16556 1 168 . 1 1 14 14 PRO CD C 13 50.7 0.2 . 1 . . . . 14 PRO CD . 16556 1 169 . 1 1 14 14 PRO CG C 13 26.8 0.2 . 1 . . . . 14 PRO CG . 16556 1 170 . 1 1 15 15 ALA H H 1 8.69 0.02 . 1 . . . . 15 ALA H . 16556 1 171 . 1 1 15 15 ALA HA H 1 4.34 0.02 . 1 . . . . 15 ALA HA . 16556 1 172 . 1 1 15 15 ALA HB1 H 1 1.40 0.02 . 1 . . . . 15 ALA HB . 16556 1 173 . 1 1 15 15 ALA HB2 H 1 1.40 0.02 . 1 . . . . 15 ALA HB . 16556 1 174 . 1 1 15 15 ALA HB3 H 1 1.40 0.02 . 1 . . . . 15 ALA HB . 16556 1 175 . 1 1 15 15 ALA C C 13 178.3 0.2 . 1 . . . . 15 ALA C . 16556 1 176 . 1 1 15 15 ALA CA C 13 54.3 0.2 . 1 . . . . 15 ALA CA . 16556 1 177 . 1 1 15 15 ALA CB C 13 20.1 0.2 . 1 . . . . 15 ALA CB . 16556 1 178 . 1 1 15 15 ALA N N 15 123.4 0.2 . 1 . . . . 15 ALA N . 16556 1 179 . 1 1 16 16 CYS H H 1 8.29 0.02 . 1 . . . . 16 CYS H . 16556 1 180 . 1 1 16 16 CYS HA H 1 4.86 0.02 . 1 . . . . 16 CYS HA . 16556 1 181 . 1 1 16 16 CYS HB2 H 1 2.53 0.02 . 2 . . . . 16 CYS HB2 . 16556 1 182 . 1 1 16 16 CYS HB3 H 1 3.12 0.02 . 2 . . . . 16 CYS HB3 . 16556 1 183 . 1 1 16 16 CYS C C 13 176.7 0.2 . 1 . . . . 16 CYS C . 16556 1 184 . 1 1 16 16 CYS CA C 13 58.8 0.2 . 1 . . . . 16 CYS CA . 16556 1 185 . 1 1 16 16 CYS CB C 13 32.6 0.2 . 1 . . . . 16 CYS CB . 16556 1 186 . 1 1 16 16 CYS N N 15 117.0 0.2 . 1 . . . . 16 CYS N . 16556 1 187 . 1 1 17 17 HIS H H 1 8.30 0.02 . 1 . . . . 17 HIS H . 16556 1 188 . 1 1 17 17 HIS HA H 1 4.44 0.02 . 1 . . . . 17 HIS HA . 16556 1 189 . 1 1 17 17 HIS HB2 H 1 3.46 0.02 . 2 . . . . 17 HIS HB2 . 16556 1 190 . 1 1 17 17 HIS HB3 H 1 3.60 0.02 . 2 . . . . 17 HIS HB3 . 16556 1 191 . 1 1 17 17 HIS HD2 H 1 7.15 0.02 . 1 . . . . 17 HIS HD2 . 16556 1 192 . 1 1 17 17 HIS HE1 H 1 8.50 0.02 . 1 . . . . 17 HIS HE1 . 16556 1 193 . 1 1 17 17 HIS C C 13 173.0 0.2 . 1 . . . . 17 HIS C . 16556 1 194 . 1 1 17 17 HIS CA C 13 57.7 0.2 . 1 . . . . 17 HIS CA . 16556 1 195 . 1 1 17 17 HIS CB C 13 26.5 0.2 . 1 . . . . 17 HIS CB . 16556 1 196 . 1 1 17 17 HIS CD2 C 13 119.6 0.2 . 1 . . . . 17 HIS CD2 . 16556 1 197 . 1 1 17 17 HIS CE1 C 13 135.9 0.2 . 1 . . . . 17 HIS CE1 . 16556 1 198 . 1 1 17 17 HIS N N 15 117.8 0.2 . 1 . . . . 17 HIS N . 16556 1 199 . 1 1 18 18 ALA H H 1 9.08 0.02 . 1 . . . . 18 ALA H . 16556 1 200 . 1 1 18 18 ALA HA H 1 4.64 0.02 . 1 . . . . 18 ALA HA . 16556 1 201 . 1 1 18 18 ALA HB1 H 1 1.58 0.02 . 1 . . . . 18 ALA HB . 16556 1 202 . 1 1 18 18 ALA HB2 H 1 1.58 0.02 . 1 . . . . 18 ALA HB . 16556 1 203 . 1 1 18 18 ALA HB3 H 1 1.58 0.02 . 1 . . . . 18 ALA HB . 16556 1 204 . 1 1 18 18 ALA CA C 13 52.1 0.2 . 1 . . . . 18 ALA CA . 16556 1 205 . 1 1 18 18 ALA CB C 13 19.0 0.2 . 1 . . . . 18 ALA CB . 16556 1 206 . 1 1 18 18 ALA N N 15 127.6 0.2 . 1 . . . . 18 ALA N . 16556 1 207 . 1 1 19 19 PRO HA H 1 4.54 0.02 . 1 . . . . 19 PRO HA . 16556 1 208 . 1 1 19 19 PRO HB2 H 1 1.74 0.02 . 2 . . . . 19 PRO HB2 . 16556 1 209 . 1 1 19 19 PRO HB3 H 1 2.43 0.02 . 2 . . . . 19 PRO HB3 . 16556 1 210 . 1 1 19 19 PRO HD2 H 1 3.43 0.02 . 2 . . . . 19 PRO HD2 . 16556 1 211 . 1 1 19 19 PRO HD3 H 1 3.86 0.02 . 2 . . . . 19 PRO HD3 . 16556 1 212 . 1 1 19 19 PRO HG2 H 1 2.00 0.02 . 2 . . . . 19 PRO HG2 . 16556 1 213 . 1 1 19 19 PRO HG3 H 1 2.08 0.02 . 2 . . . . 19 PRO HG3 . 16556 1 214 . 1 1 19 19 PRO C C 13 177.0 0.2 . 1 . . . . 19 PRO C . 16556 1 215 . 1 1 19 19 PRO CA C 13 63.3 0.2 . 1 . . . . 19 PRO CA . 16556 1 216 . 1 1 19 19 PRO CB C 13 32.5 0.2 . 1 . . . . 19 PRO CB . 16556 1 217 . 1 1 19 19 PRO CD C 13 50.3 0.2 . 1 . . . . 19 PRO CD . 16556 1 218 . 1 1 19 19 PRO CG C 13 28.0 0.2 . 1 . . . . 19 PRO CG . 16556 1 219 . 1 1 20 20 LEU H H 1 8.45 0.02 . 1 . . . . 20 LEU H . 16556 1 220 . 1 1 20 20 LEU HA H 1 5.05 0.02 . 1 . . . . 20 LEU HA . 16556 1 221 . 1 1 20 20 LEU HB2 H 1 1.09 0.02 . 2 . . . . 20 LEU HB2 . 16556 1 222 . 1 1 20 20 LEU HB3 H 1 1.58 0.02 . 2 . . . . 20 LEU HB3 . 16556 1 223 . 1 1 20 20 LEU HD11 H 1 0.52 0.02 . 2 . . . . 20 LEU HD1 . 16556 1 224 . 1 1 20 20 LEU HD12 H 1 0.52 0.02 . 2 . . . . 20 LEU HD1 . 16556 1 225 . 1 1 20 20 LEU HD13 H 1 0.52 0.02 . 2 . . . . 20 LEU HD1 . 16556 1 226 . 1 1 20 20 LEU HD21 H 1 0.79 0.02 . 2 . . . . 20 LEU HD2 . 16556 1 227 . 1 1 20 20 LEU HD22 H 1 0.79 0.02 . 2 . . . . 20 LEU HD2 . 16556 1 228 . 1 1 20 20 LEU HD23 H 1 0.79 0.02 . 2 . . . . 20 LEU HD2 . 16556 1 229 . 1 1 20 20 LEU HG H 1 1.44 0.02 . 1 . . . . 20 LEU HG . 16556 1 230 . 1 1 20 20 LEU C C 13 176.7 0.2 . 1 . . . . 20 LEU C . 16556 1 231 . 1 1 20 20 LEU CA C 13 53.3 0.2 . 1 . . . . 20 LEU CA . 16556 1 232 . 1 1 20 20 LEU CB C 13 44.8 0.2 . 1 . . . . 20 LEU CB . 16556 1 233 . 1 1 20 20 LEU CD1 C 13 27.5 0.2 . 2 . . . . 20 LEU CD1 . 16556 1 234 . 1 1 20 20 LEU CD2 C 13 23.1 0.2 . 2 . . . . 20 LEU CD2 . 16556 1 235 . 1 1 20 20 LEU CG C 13 27.0 0.2 . 1 . . . . 20 LEU CG . 16556 1 236 . 1 1 20 20 LEU N N 15 121.4 0.2 . 1 . . . . 20 LEU N . 16556 1 237 . 1 1 21 21 GLU H H 1 9.03 0.02 . 1 . . . . 21 GLU H . 16556 1 238 . 1 1 21 21 GLU HA H 1 4.66 0.02 . 1 . . . . 21 GLU HA . 16556 1 239 . 1 1 21 21 GLU HB2 H 1 1.83 0.02 . 2 . . . . 21 GLU HB2 . 16556 1 240 . 1 1 21 21 GLU HB3 H 1 1.88 0.02 . 2 . . . . 21 GLU HB3 . 16556 1 241 . 1 1 21 21 GLU HG2 H 1 2.16 0.02 . 2 . . . . 21 GLU HG2 . 16556 1 242 . 1 1 21 21 GLU HG3 H 1 2.16 0.02 . 2 . . . . 21 GLU HG3 . 16556 1 243 . 1 1 21 21 GLU C C 13 175.1 0.2 . 1 . . . . 21 GLU C . 16556 1 244 . 1 1 21 21 GLU CA C 13 54.1 0.2 . 1 . . . . 21 GLU CA . 16556 1 245 . 1 1 21 21 GLU CB C 13 33.0 0.2 . 1 . . . . 21 GLU CB . 16556 1 246 . 1 1 21 21 GLU CG C 13 35.8 0.2 . 1 . . . . 21 GLU CG . 16556 1 247 . 1 1 21 21 GLU N N 15 120.7 0.2 . 1 . . . . 21 GLU N . 16556 1 248 . 1 1 22 22 GLU H H 1 8.95 0.02 . 1 . . . . 22 GLU H . 16556 1 249 . 1 1 22 22 GLU HA H 1 4.63 0.02 . 1 . . . . 22 GLU HA . 16556 1 250 . 1 1 22 22 GLU HB2 H 1 1.83 0.02 . 2 . . . . 22 GLU HB2 . 16556 1 251 . 1 1 22 22 GLU HB3 H 1 2.06 0.02 . 2 . . . . 22 GLU HB3 . 16556 1 252 . 1 1 22 22 GLU HG2 H 1 2.17 0.02 . 2 . . . . 22 GLU HG2 . 16556 1 253 . 1 1 22 22 GLU HG3 H 1 2.17 0.02 . 2 . . . . 22 GLU HG3 . 16556 1 254 . 1 1 22 22 GLU C C 13 176.0 0.2 . 1 . . . . 22 GLU C . 16556 1 255 . 1 1 22 22 GLU CA C 13 56.8 0.2 . 1 . . . . 22 GLU CA . 16556 1 256 . 1 1 22 22 GLU CB C 13 30.2 0.2 . 1 . . . . 22 GLU CB . 16556 1 257 . 1 1 22 22 GLU CG C 13 35.8 0.2 . 1 . . . . 22 GLU CG . 16556 1 258 . 1 1 22 22 GLU N N 15 125.9 0.2 . 1 . . . . 22 GLU N . 16556 1 259 . 1 1 23 23 ARG H H 1 8.83 0.02 . 1 . . . . 23 ARG H . 16556 1 260 . 1 1 23 23 ARG HA H 1 4.50 0.02 . 1 . . . . 23 ARG HA . 16556 1 261 . 1 1 23 23 ARG HB2 H 1 1.65 0.02 . 2 . . . . 23 ARG HB2 . 16556 1 262 . 1 1 23 23 ARG HB3 H 1 1.78 0.02 . 2 . . . . 23 ARG HB3 . 16556 1 263 . 1 1 23 23 ARG HD2 H 1 3.11 0.02 . 2 . . . . 23 ARG HD2 . 16556 1 264 . 1 1 23 23 ARG HD3 H 1 3.20 0.02 . 2 . . . . 23 ARG HD3 . 16556 1 265 . 1 1 23 23 ARG HG2 H 1 1.47 0.02 . 2 . . . . 23 ARG HG2 . 16556 1 266 . 1 1 23 23 ARG HG3 H 1 1.56 0.02 . 2 . . . . 23 ARG HG3 . 16556 1 267 . 1 1 23 23 ARG C C 13 175.0 0.2 . 1 . . . . 23 ARG C . 16556 1 268 . 1 1 23 23 ARG CA C 13 55.6 0.2 . 1 . . . . 23 ARG CA . 16556 1 269 . 1 1 23 23 ARG CB C 13 32.1 0.2 . 1 . . . . 23 ARG CB . 16556 1 270 . 1 1 23 23 ARG CD C 13 43.4 0.2 . 1 . . . . 23 ARG CD . 16556 1 271 . 1 1 23 23 ARG CG C 13 26.9 0.2 . 1 . . . . 23 ARG CG . 16556 1 272 . 1 1 23 23 ARG N N 15 128.0 0.2 . 1 . . . . 23 ARG N . 16556 1 273 . 1 1 24 24 ASP H H 1 9.15 0.02 . 1 . . . . 24 ASP H . 16556 1 274 . 1 1 24 24 ASP HA H 1 4.18 0.02 . 1 . . . . 24 ASP HA . 16556 1 275 . 1 1 24 24 ASP HB2 H 1 2.75 0.02 . 2 . . . . 24 ASP HB2 . 16556 1 276 . 1 1 24 24 ASP HB3 H 1 2.86 0.02 . 2 . . . . 24 ASP HB3 . 16556 1 277 . 1 1 24 24 ASP C C 13 174.9 0.2 . 1 . . . . 24 ASP C . 16556 1 278 . 1 1 24 24 ASP CA C 13 56.6 0.2 . 1 . . . . 24 ASP CA . 16556 1 279 . 1 1 24 24 ASP CB C 13 39.6 0.2 . 1 . . . . 24 ASP CB . 16556 1 280 . 1 1 24 24 ASP N N 15 126.0 0.2 . 1 . . . . 24 ASP N . 16556 1 281 . 1 1 25 25 ALA H H 1 8.48 0.02 . 1 . . . . 25 ALA H . 16556 1 282 . 1 1 25 25 ALA HA H 1 4.37 0.02 . 1 . . . . 25 ALA HA . 16556 1 283 . 1 1 25 25 ALA HB1 H 1 1.50 0.02 . 1 . . . . 25 ALA HB . 16556 1 284 . 1 1 25 25 ALA HB2 H 1 1.50 0.02 . 1 . . . . 25 ALA HB . 16556 1 285 . 1 1 25 25 ALA HB3 H 1 1.50 0.02 . 1 . . . . 25 ALA HB . 16556 1 286 . 1 1 25 25 ALA C C 13 175.7 0.2 . 1 . . . . 25 ALA C . 16556 1 287 . 1 1 25 25 ALA CA C 13 52.6 0.2 . 1 . . . . 25 ALA CA . 16556 1 288 . 1 1 25 25 ALA CB C 13 18.1 0.2 . 1 . . . . 25 ALA CB . 16556 1 289 . 1 1 25 25 ALA N N 15 122.8 0.2 . 1 . . . . 25 ALA N . 16556 1 290 . 1 1 26 26 GLU H H 1 7.77 0.02 . 1 . . . . 26 GLU H . 16556 1 291 . 1 1 26 26 GLU HA H 1 5.10 0.02 . 1 . . . . 26 GLU HA . 16556 1 292 . 1 1 26 26 GLU HB2 H 1 1.85 0.02 . 2 . . . . 26 GLU HB2 . 16556 1 293 . 1 1 26 26 GLU HB3 H 1 1.85 0.02 . 2 . . . . 26 GLU HB3 . 16556 1 294 . 1 1 26 26 GLU HG2 H 1 2.10 0.02 . 2 . . . . 26 GLU HG2 . 16556 1 295 . 1 1 26 26 GLU HG3 H 1 2.20 0.02 . 2 . . . . 26 GLU HG3 . 16556 1 296 . 1 1 26 26 GLU C C 13 174.6 0.2 . 1 . . . . 26 GLU C . 16556 1 297 . 1 1 26 26 GLU CA C 13 54.7 0.2 . 1 . . . . 26 GLU CA . 16556 1 298 . 1 1 26 26 GLU CB C 13 35.1 0.2 . 1 . . . . 26 GLU CB . 16556 1 299 . 1 1 26 26 GLU CG C 13 36.7 0.2 . 1 . . . . 26 GLU CG . 16556 1 300 . 1 1 26 26 GLU N N 15 116.6 0.2 . 1 . . . . 26 GLU N . 16556 1 301 . 1 1 27 27 LEU H H 1 9.19 0.02 . 1 . . . . 27 LEU H . 16556 1 302 . 1 1 27 27 LEU HA H 1 5.01 0.02 . 1 . . . . 27 LEU HA . 16556 1 303 . 1 1 27 27 LEU HB2 H 1 1.29 0.02 . 2 . . . . 27 LEU HB2 . 16556 1 304 . 1 1 27 27 LEU HB3 H 1 1.67 0.02 . 2 . . . . 27 LEU HB3 . 16556 1 305 . 1 1 27 27 LEU HD11 H 1 0.72 0.02 . 2 . . . . 27 LEU HD1 . 16556 1 306 . 1 1 27 27 LEU HD12 H 1 0.72 0.02 . 2 . . . . 27 LEU HD1 . 16556 1 307 . 1 1 27 27 LEU HD13 H 1 0.72 0.02 . 2 . . . . 27 LEU HD1 . 16556 1 308 . 1 1 27 27 LEU HD21 H 1 0.72 0.02 . 2 . . . . 27 LEU HD2 . 16556 1 309 . 1 1 27 27 LEU HD22 H 1 0.72 0.02 . 2 . . . . 27 LEU HD2 . 16556 1 310 . 1 1 27 27 LEU HD23 H 1 0.72 0.02 . 2 . . . . 27 LEU HD2 . 16556 1 311 . 1 1 27 27 LEU HG H 1 1.43 0.02 . 1 . . . . 27 LEU HG . 16556 1 312 . 1 1 27 27 LEU C C 13 175.5 0.2 . 1 . . . . 27 LEU C . 16556 1 313 . 1 1 27 27 LEU CA C 13 53.2 0.2 . 1 . . . . 27 LEU CA . 16556 1 314 . 1 1 27 27 LEU CB C 13 44.4 0.2 . 1 . . . . 27 LEU CB . 16556 1 315 . 1 1 27 27 LEU CD1 C 13 27.1 0.2 . 2 . . . . 27 LEU CD1 . 16556 1 316 . 1 1 27 27 LEU CD2 C 13 23.9 0.2 . 2 . . . . 27 LEU CD2 . 16556 1 317 . 1 1 27 27 LEU CG C 13 27.1 0.2 . 1 . . . . 27 LEU CG . 16556 1 318 . 1 1 27 27 LEU N N 15 120.9 0.2 . 1 . . . . 27 LEU N . 16556 1 319 . 1 1 28 28 ILE H H 1 9.48 0.02 . 1 . . . . 28 ILE H . 16556 1 320 . 1 1 28 28 ILE HA H 1 4.77 0.02 . 1 . . . . 28 ILE HA . 16556 1 321 . 1 1 28 28 ILE HB H 1 1.77 0.02 . 1 . . . . 28 ILE HB . 16556 1 322 . 1 1 28 28 ILE HD11 H 1 0.80 0.02 . 1 . . . . 28 ILE HD1 . 16556 1 323 . 1 1 28 28 ILE HD12 H 1 0.80 0.02 . 1 . . . . 28 ILE HD1 . 16556 1 324 . 1 1 28 28 ILE HD13 H 1 0.80 0.02 . 1 . . . . 28 ILE HD1 . 16556 1 325 . 1 1 28 28 ILE HG12 H 1 1.08 0.02 . 2 . . . . 28 ILE HG12 . 16556 1 326 . 1 1 28 28 ILE HG13 H 1 1.42 0.02 . 2 . . . . 28 ILE HG13 . 16556 1 327 . 1 1 28 28 ILE HG21 H 1 0.83 0.02 . 1 . . . . 28 ILE HG2 . 16556 1 328 . 1 1 28 28 ILE HG22 H 1 0.83 0.02 . 1 . . . . 28 ILE HG2 . 16556 1 329 . 1 1 28 28 ILE HG23 H 1 0.83 0.02 . 1 . . . . 28 ILE HG2 . 16556 1 330 . 1 1 28 28 ILE C C 13 175.3 0.2 . 1 . . . . 28 ILE C . 16556 1 331 . 1 1 28 28 ILE CA C 13 60.0 0.2 . 1 . . . . 28 ILE CA . 16556 1 332 . 1 1 28 28 ILE CB C 13 39.7 0.2 . 1 . . . . 28 ILE CB . 16556 1 333 . 1 1 28 28 ILE CD1 C 13 13.2 0.2 . 1 . . . . 28 ILE CD1 . 16556 1 334 . 1 1 28 28 ILE CG1 C 13 28.1 0.2 . 1 . . . . 28 ILE CG1 . 16556 1 335 . 1 1 28 28 ILE CG2 C 13 17.5 0.2 . 1 . . . . 28 ILE CG2 . 16556 1 336 . 1 1 28 28 ILE N N 15 123.3 0.2 . 1 . . . . 28 ILE N . 16556 1 337 . 1 1 29 29 CYS H H 1 9.16 0.02 . 1 . . . . 29 CYS H . 16556 1 338 . 1 1 29 29 CYS HA H 1 4.25 0.02 . 1 . . . . 29 CYS HA . 16556 1 339 . 1 1 29 29 CYS HB2 H 1 3.00 0.02 . 2 . . . . 29 CYS HB2 . 16556 1 340 . 1 1 29 29 CYS HB3 H 1 3.11 0.02 . 2 . . . . 29 CYS HB3 . 16556 1 341 . 1 1 29 29 CYS C C 13 176.7 0.2 . 1 . . . . 29 CYS C . 16556 1 342 . 1 1 29 29 CYS CA C 13 62.0 0.2 . 1 . . . . 29 CYS CA . 16556 1 343 . 1 1 29 29 CYS CB C 13 30.4 0.2 . 1 . . . . 29 CYS CB . 16556 1 344 . 1 1 29 29 CYS N N 15 130.8 0.2 . 1 . . . . 29 CYS N . 16556 1 345 . 1 1 30 30 THR H H 1 7.84 0.02 . 1 . . . . 30 THR H . 16556 1 346 . 1 1 30 30 THR HA H 1 4.28 0.02 . 1 . . . . 30 THR HA . 16556 1 347 . 1 1 30 30 THR HB H 1 4.46 0.02 . 1 . . . . 30 THR HB . 16556 1 348 . 1 1 30 30 THR HG21 H 1 1.28 0.02 . 1 . . . . 30 THR HG2 . 16556 1 349 . 1 1 30 30 THR HG22 H 1 1.28 0.02 . 1 . . . . 30 THR HG2 . 16556 1 350 . 1 1 30 30 THR HG23 H 1 1.28 0.02 . 1 . . . . 30 THR HG2 . 16556 1 351 . 1 1 30 30 THR C C 13 175.3 0.2 . 1 . . . . 30 THR C . 16556 1 352 . 1 1 30 30 THR CA C 13 62.4 0.2 . 1 . . . . 30 THR CA . 16556 1 353 . 1 1 30 30 THR CB C 13 70.5 0.2 . 1 . . . . 30 THR CB . 16556 1 354 . 1 1 30 30 THR CG2 C 13 21.4 0.2 . 1 . . . . 30 THR CG2 . 16556 1 355 . 1 1 30 30 THR N N 15 118.8 0.2 . 1 . . . . 30 THR N . 16556 1 356 . 1 1 31 31 GLY H H 1 10.31 0.02 . 1 . . . . 31 GLY H . 16556 1 357 . 1 1 31 31 GLY HA2 H 1 3.71 0.02 . 2 . . . . 31 GLY HA2 . 16556 1 358 . 1 1 31 31 GLY HA3 H 1 3.96 0.02 . 2 . . . . 31 GLY HA3 . 16556 1 359 . 1 1 31 31 GLY C C 13 175.9 0.2 . 1 . . . . 31 GLY C . 16556 1 360 . 1 1 31 31 GLY CA C 13 45.3 0.2 . 1 . . . . 31 GLY CA . 16556 1 361 . 1 1 31 31 GLY N N 15 120.1 0.2 . 1 . . . . 31 GLY N . 16556 1 362 . 1 1 32 32 GLN H H 1 8.94 0.02 . 1 . . . . 32 GLN H . 16556 1 363 . 1 1 32 32 GLN HA H 1 3.99 0.02 . 1 . . . . 32 GLN HA . 16556 1 364 . 1 1 32 32 GLN HB2 H 1 2.03 0.02 . 2 . . . . 32 GLN HB2 . 16556 1 365 . 1 1 32 32 GLN HB3 H 1 2.07 0.02 . 2 . . . . 32 GLN HB3 . 16556 1 366 . 1 1 32 32 GLN HE21 H 1 7.63 0.02 . 2 . . . . 32 GLN HE21 . 16556 1 367 . 1 1 32 32 GLN HE22 H 1 6.86 0.02 . 2 . . . . 32 GLN HE22 . 16556 1 368 . 1 1 32 32 GLN HG2 H 1 2.40 0.02 . 2 . . . . 32 GLN HG2 . 16556 1 369 . 1 1 32 32 GLN HG3 H 1 2.40 0.02 . 2 . . . . 32 GLN HG3 . 16556 1 370 . 1 1 32 32 GLN C C 13 176.4 0.2 . 1 . . . . 32 GLN C . 16556 1 371 . 1 1 32 32 GLN CA C 13 58.2 0.2 . 1 . . . . 32 GLN CA . 16556 1 372 . 1 1 32 32 GLN CB C 13 28.8 0.2 . 1 . . . . 32 GLN CB . 16556 1 373 . 1 1 32 32 GLN CD C 13 180.4 0.2 . 1 . . . . 32 GLN CD . 16556 1 374 . 1 1 32 32 GLN CG C 13 33.8 0.2 . 1 . . . . 32 GLN CG . 16556 1 375 . 1 1 32 32 GLN N N 15 127.2 0.2 . 1 . . . . 32 GLN N . 16556 1 376 . 1 1 32 32 GLN NE2 N 15 112.9 0.2 . 1 . . . . 32 GLN NE2 . 16556 1 377 . 1 1 33 33 ASP H H 1 8.56 0.02 . 1 . . . . 33 ASP H . 16556 1 378 . 1 1 33 33 ASP HA H 1 4.61 0.02 . 1 . . . . 33 ASP HA . 16556 1 379 . 1 1 33 33 ASP HB2 H 1 2.65 0.02 . 2 . . . . 33 ASP HB2 . 16556 1 380 . 1 1 33 33 ASP HB3 H 1 2.81 0.02 . 2 . . . . 33 ASP HB3 . 16556 1 381 . 1 1 33 33 ASP C C 13 174.5 0.2 . 1 . . . . 33 ASP C . 16556 1 382 . 1 1 33 33 ASP CA C 13 54.0 0.2 . 1 . . . . 33 ASP CA . 16556 1 383 . 1 1 33 33 ASP CB C 13 40.4 0.2 . 1 . . . . 33 ASP CB . 16556 1 384 . 1 1 33 33 ASP N N 15 117.2 0.2 . 1 . . . . 33 ASP N . 16556 1 385 . 1 1 34 34 CYS H H 1 7.33 0.02 . 1 . . . . 34 CYS H . 16556 1 386 . 1 1 34 34 CYS HA H 1 4.48 0.02 . 1 . . . . 34 CYS HA . 16556 1 387 . 1 1 34 34 CYS HB2 H 1 2.61 0.02 . 2 . . . . 34 CYS HB2 . 16556 1 388 . 1 1 34 34 CYS HB3 H 1 2.83 0.02 . 2 . . . . 34 CYS HB3 . 16556 1 389 . 1 1 34 34 CYS C C 13 175.5 0.2 . 1 . . . . 34 CYS C . 16556 1 390 . 1 1 34 34 CYS CA C 13 60.1 0.2 . 1 . . . . 34 CYS CA . 16556 1 391 . 1 1 34 34 CYS CB C 13 31.2 0.2 . 1 . . . . 34 CYS CB . 16556 1 392 . 1 1 34 34 CYS N N 15 123.8 0.2 . 1 . . . . 34 CYS N . 16556 1 393 . 1 1 35 35 GLY H H 1 8.02 0.02 . 1 . . . . 35 GLY H . 16556 1 394 . 1 1 35 35 GLY HA2 H 1 3.94 0.02 . 2 . . . . 35 GLY HA2 . 16556 1 395 . 1 1 35 35 GLY HA3 H 1 4.24 0.02 . 2 . . . . 35 GLY HA3 . 16556 1 396 . 1 1 35 35 GLY C C 13 173.9 0.2 . 1 . . . . 35 GLY C . 16556 1 397 . 1 1 35 35 GLY CA C 13 46.9 0.2 . 1 . . . . 35 GLY CA . 16556 1 398 . 1 1 35 35 GLY N N 15 108.7 0.2 . 1 . . . . 35 GLY N . 16556 1 399 . 1 1 36 36 LEU H H 1 7.43 0.02 . 1 . . . . 36 LEU H . 16556 1 400 . 1 1 36 36 LEU HA H 1 3.93 0.02 . 1 . . . . 36 LEU HA . 16556 1 401 . 1 1 36 36 LEU HB2 H 1 0.75 0.02 . 2 . . . . 36 LEU HB2 . 16556 1 402 . 1 1 36 36 LEU HB3 H 1 1.54 0.02 . 2 . . . . 36 LEU HB3 . 16556 1 403 . 1 1 36 36 LEU HD11 H 1 0.78 0.02 . 2 . . . . 36 LEU HD1 . 16556 1 404 . 1 1 36 36 LEU HD12 H 1 0.78 0.02 . 2 . . . . 36 LEU HD1 . 16556 1 405 . 1 1 36 36 LEU HD13 H 1 0.78 0.02 . 2 . . . . 36 LEU HD1 . 16556 1 406 . 1 1 36 36 LEU HD21 H 1 0.69 0.02 . 2 . . . . 36 LEU HD2 . 16556 1 407 . 1 1 36 36 LEU HD22 H 1 0.69 0.02 . 2 . . . . 36 LEU HD2 . 16556 1 408 . 1 1 36 36 LEU HD23 H 1 0.69 0.02 . 2 . . . . 36 LEU HD2 . 16556 1 409 . 1 1 36 36 LEU HG H 1 1.89 0.02 . 1 . . . . 36 LEU HG . 16556 1 410 . 1 1 36 36 LEU C C 13 173.8 0.2 . 1 . . . . 36 LEU C . 16556 1 411 . 1 1 36 36 LEU CA C 13 56.4 0.2 . 1 . . . . 36 LEU CA . 16556 1 412 . 1 1 36 36 LEU CB C 13 43.3 0.2 . 1 . . . . 36 LEU CB . 16556 1 413 . 1 1 36 36 LEU CD1 C 13 26.0 0.2 . 2 . . . . 36 LEU CD1 . 16556 1 414 . 1 1 36 36 LEU CD2 C 13 23.0 0.2 . 2 . . . . 36 LEU CD2 . 16556 1 415 . 1 1 36 36 LEU CG C 13 27.8 0.2 . 1 . . . . 36 LEU CG . 16556 1 416 . 1 1 36 36 LEU N N 15 121.1 0.2 . 1 . . . . 36 LEU N . 16556 1 417 . 1 1 37 37 ALA H H 1 7.99 0.02 . 1 . . . . 37 ALA H . 16556 1 418 . 1 1 37 37 ALA HA H 1 5.24 0.02 . 1 . . . . 37 ALA HA . 16556 1 419 . 1 1 37 37 ALA HB1 H 1 1.19 0.02 . 1 . . . . 37 ALA HB . 16556 1 420 . 1 1 37 37 ALA HB2 H 1 1.19 0.02 . 1 . . . . 37 ALA HB . 16556 1 421 . 1 1 37 37 ALA HB3 H 1 1.19 0.02 . 1 . . . . 37 ALA HB . 16556 1 422 . 1 1 37 37 ALA C C 13 176.7 0.2 . 1 . . . . 37 ALA C . 16556 1 423 . 1 1 37 37 ALA CA C 13 49.8 0.2 . 1 . . . . 37 ALA CA . 16556 1 424 . 1 1 37 37 ALA CB C 13 22.2 0.2 . 1 . . . . 37 ALA CB . 16556 1 425 . 1 1 37 37 ALA N N 15 119.9 0.2 . 1 . . . . 37 ALA N . 16556 1 426 . 1 1 38 38 TYR H H 1 9.74 0.02 . 1 . . . . 38 TYR H . 16556 1 427 . 1 1 38 38 TYR HA H 1 4.73 0.02 . 1 . . . . 38 TYR HA . 16556 1 428 . 1 1 38 38 TYR HB2 H 1 2.59 0.02 . 2 . . . . 38 TYR HB2 . 16556 1 429 . 1 1 38 38 TYR HB3 H 1 3.33 0.02 . 2 . . . . 38 TYR HB3 . 16556 1 430 . 1 1 38 38 TYR HD1 H 1 7.25 0.02 . 3 . . . . 38 TYR HD1 . 16556 1 431 . 1 1 38 38 TYR HD2 H 1 7.25 0.02 . 3 . . . . 38 TYR HD2 . 16556 1 432 . 1 1 38 38 TYR HE1 H 1 6.57 0.02 . 3 . . . . 38 TYR HE1 . 16556 1 433 . 1 1 38 38 TYR HE2 H 1 6.57 0.02 . 3 . . . . 38 TYR HE2 . 16556 1 434 . 1 1 38 38 TYR CA C 13 55.9 0.2 . 1 . . . . 38 TYR CA . 16556 1 435 . 1 1 38 38 TYR CB C 13 38.8 0.2 . 1 . . . . 38 TYR CB . 16556 1 436 . 1 1 38 38 TYR CD1 C 13 134.0 0.2 . 3 . . . . 38 TYR CD1 . 16556 1 437 . 1 1 38 38 TYR CD2 C 13 134.0 0.2 . 3 . . . . 38 TYR CD2 . 16556 1 438 . 1 1 38 38 TYR CE1 C 13 117.5 0.2 . 3 . . . . 38 TYR CE1 . 16556 1 439 . 1 1 38 38 TYR CE2 C 13 117.5 0.2 . 3 . . . . 38 TYR CE2 . 16556 1 440 . 1 1 38 38 TYR N N 15 125.3 0.2 . 1 . . . . 38 TYR N . 16556 1 441 . 1 1 39 39 PRO HA H 1 4.70 0.02 . 1 . . . . 39 PRO HA . 16556 1 442 . 1 1 39 39 PRO HB2 H 1 1.84 0.02 . 2 . . . . 39 PRO HB2 . 16556 1 443 . 1 1 39 39 PRO HB3 H 1 2.47 0.02 . 2 . . . . 39 PRO HB3 . 16556 1 444 . 1 1 39 39 PRO HD2 H 1 3.95 0.02 . 2 . . . . 39 PRO HD2 . 16556 1 445 . 1 1 39 39 PRO HD3 H 1 4.24 0.02 . 2 . . . . 39 PRO HD3 . 16556 1 446 . 1 1 39 39 PRO HG2 H 1 2.18 0.02 . 2 . . . . 39 PRO HG2 . 16556 1 447 . 1 1 39 39 PRO HG3 H 1 2.29 0.02 . 2 . . . . 39 PRO HG3 . 16556 1 448 . 1 1 39 39 PRO C C 13 175.1 0.2 . 1 . . . . 39 PRO C . 16556 1 449 . 1 1 39 39 PRO CA C 13 63.1 0.2 . 1 . . . . 39 PRO CA . 16556 1 450 . 1 1 39 39 PRO CB C 13 32.9 0.2 . 1 . . . . 39 PRO CB . 16556 1 451 . 1 1 39 39 PRO CD C 13 50.1 0.2 . 1 . . . . 39 PRO CD . 16556 1 452 . 1 1 39 39 PRO CG C 13 27.0 0.2 . 1 . . . . 39 PRO CG . 16556 1 453 . 1 1 40 40 VAL H H 1 7.83 0.02 . 1 . . . . 40 VAL H . 16556 1 454 . 1 1 40 40 VAL HA H 1 4.19 0.02 . 1 . . . . 40 VAL HA . 16556 1 455 . 1 1 40 40 VAL HB H 1 1.74 0.02 . 1 . . . . 40 VAL HB . 16556 1 456 . 1 1 40 40 VAL HG11 H 1 0.52 0.02 . 2 . . . . 40 VAL HG1 . 16556 1 457 . 1 1 40 40 VAL HG12 H 1 0.52 0.02 . 2 . . . . 40 VAL HG1 . 16556 1 458 . 1 1 40 40 VAL HG13 H 1 0.52 0.02 . 2 . . . . 40 VAL HG1 . 16556 1 459 . 1 1 40 40 VAL HG21 H 1 0.68 0.02 . 2 . . . . 40 VAL HG2 . 16556 1 460 . 1 1 40 40 VAL HG22 H 1 0.68 0.02 . 2 . . . . 40 VAL HG2 . 16556 1 461 . 1 1 40 40 VAL HG23 H 1 0.68 0.02 . 2 . . . . 40 VAL HG2 . 16556 1 462 . 1 1 40 40 VAL C C 13 176.3 0.2 . 1 . . . . 40 VAL C . 16556 1 463 . 1 1 40 40 VAL CA C 13 62.1 0.2 . 1 . . . . 40 VAL CA . 16556 1 464 . 1 1 40 40 VAL CB C 13 32.3 0.2 . 1 . . . . 40 VAL CB . 16556 1 465 . 1 1 40 40 VAL CG1 C 13 21.1 0.2 . 2 . . . . 40 VAL CG1 . 16556 1 466 . 1 1 40 40 VAL CG2 C 13 21.0 0.2 . 2 . . . . 40 VAL CG2 . 16556 1 467 . 1 1 40 40 VAL N N 15 119.3 0.2 . 1 . . . . 40 VAL N . 16556 1 468 . 1 1 41 41 ARG H H 1 8.41 0.02 . 1 . . . . 41 ARG H . 16556 1 469 . 1 1 41 41 ARG HA H 1 4.68 0.02 . 1 . . . . 41 ARG HA . 16556 1 470 . 1 1 41 41 ARG HB2 H 1 1.64 0.02 . 2 . . . . 41 ARG HB2 . 16556 1 471 . 1 1 41 41 ARG HB3 H 1 1.74 0.02 . 2 . . . . 41 ARG HB3 . 16556 1 472 . 1 1 41 41 ARG HD2 H 1 3.18 0.02 . 2 . . . . 41 ARG HD2 . 16556 1 473 . 1 1 41 41 ARG HD3 H 1 3.23 0.02 . 2 . . . . 41 ARG HD3 . 16556 1 474 . 1 1 41 41 ARG HG2 H 1 1.49 0.02 . 2 . . . . 41 ARG HG2 . 16556 1 475 . 1 1 41 41 ARG HG3 H 1 1.59 0.02 . 2 . . . . 41 ARG HG3 . 16556 1 476 . 1 1 41 41 ARG C C 13 175.9 0.2 . 1 . . . . 41 ARG C . 16556 1 477 . 1 1 41 41 ARG CA C 13 55.1 0.2 . 1 . . . . 41 ARG CA . 16556 1 478 . 1 1 41 41 ARG CB C 13 32.2 0.2 . 1 . . . . 41 ARG CB . 16556 1 479 . 1 1 41 41 ARG CD C 13 43.7 0.2 . 1 . . . . 41 ARG CD . 16556 1 480 . 1 1 41 41 ARG CG C 13 27.8 0.2 . 1 . . . . 41 ARG CG . 16556 1 481 . 1 1 41 41 ARG N N 15 127.4 0.2 . 1 . . . . 41 ARG N . 16556 1 482 . 1 1 42 42 ASP H H 1 9.44 0.02 . 1 . . . . 42 ASP H . 16556 1 483 . 1 1 42 42 ASP HA H 1 4.27 0.02 . 1 . . . . 42 ASP HA . 16556 1 484 . 1 1 42 42 ASP HB2 H 1 2.63 0.02 . 2 . . . . 42 ASP HB2 . 16556 1 485 . 1 1 42 42 ASP HB3 H 1 2.92 0.02 . 2 . . . . 42 ASP HB3 . 16556 1 486 . 1 1 42 42 ASP C C 13 175.8 0.2 . 1 . . . . 42 ASP C . 16556 1 487 . 1 1 42 42 ASP CA C 13 55.4 0.2 . 1 . . . . 42 ASP CA . 16556 1 488 . 1 1 42 42 ASP CB C 13 39.7 0.2 . 1 . . . . 42 ASP CB . 16556 1 489 . 1 1 42 42 ASP N N 15 127.2 0.2 . 1 . . . . 42 ASP N . 16556 1 490 . 1 1 43 43 GLY H H 1 8.39 0.02 . 1 . . . . 43 GLY H . 16556 1 491 . 1 1 43 43 GLY HA2 H 1 3.42 0.02 . 2 . . . . 43 GLY HA2 . 16556 1 492 . 1 1 43 43 GLY HA3 H 1 4.10 0.02 . 2 . . . . 43 GLY HA3 . 16556 1 493 . 1 1 43 43 GLY C C 13 173.4 0.2 . 1 . . . . 43 GLY C . 16556 1 494 . 1 1 43 43 GLY CA C 13 45.2 0.2 . 1 . . . . 43 GLY CA . 16556 1 495 . 1 1 43 43 GLY N N 15 102.3 0.2 . 1 . . . . 43 GLY N . 16556 1 496 . 1 1 44 44 ILE H H 1 7.76 0.02 . 1 . . . . 44 ILE H . 16556 1 497 . 1 1 44 44 ILE HA H 1 4.61 0.02 . 1 . . . . 44 ILE HA . 16556 1 498 . 1 1 44 44 ILE HB H 1 2.02 0.02 . 1 . . . . 44 ILE HB . 16556 1 499 . 1 1 44 44 ILE HD11 H 1 0.82 0.02 . 1 . . . . 44 ILE HD1 . 16556 1 500 . 1 1 44 44 ILE HD12 H 1 0.82 0.02 . 1 . . . . 44 ILE HD1 . 16556 1 501 . 1 1 44 44 ILE HD13 H 1 0.82 0.02 . 1 . . . . 44 ILE HD1 . 16556 1 502 . 1 1 44 44 ILE HG12 H 1 1.45 0.02 . 2 . . . . 44 ILE HG12 . 16556 1 503 . 1 1 44 44 ILE HG13 H 1 1.15 0.02 . 2 . . . . 44 ILE HG13 . 16556 1 504 . 1 1 44 44 ILE HG21 H 1 0.92 0.02 . 1 . . . . 44 ILE HG2 . 16556 1 505 . 1 1 44 44 ILE HG22 H 1 0.92 0.02 . 1 . . . . 44 ILE HG2 . 16556 1 506 . 1 1 44 44 ILE HG23 H 1 0.92 0.02 . 1 . . . . 44 ILE HG2 . 16556 1 507 . 1 1 44 44 ILE CA C 13 57.3 0.2 . 1 . . . . 44 ILE CA . 16556 1 508 . 1 1 44 44 ILE CB C 13 39.5 0.2 . 1 . . . . 44 ILE CB . 16556 1 509 . 1 1 44 44 ILE CD1 C 13 11.9 0.2 . 1 . . . . 44 ILE CD1 . 16556 1 510 . 1 1 44 44 ILE CG1 C 13 26.7 0.2 . 1 . . . . 44 ILE CG1 . 16556 1 511 . 1 1 44 44 ILE CG2 C 13 16.9 0.2 . 1 . . . . 44 ILE CG2 . 16556 1 512 . 1 1 44 44 ILE N N 15 121.9 0.2 . 1 . . . . 44 ILE N . 16556 1 513 . 1 1 45 45 PRO HA H 1 4.57 0.02 . 1 . . . . 45 PRO HA . 16556 1 514 . 1 1 45 45 PRO HB2 H 1 1.71 0.02 . 2 . . . . 45 PRO HB2 . 16556 1 515 . 1 1 45 45 PRO HB3 H 1 1.90 0.02 . 2 . . . . 45 PRO HB3 . 16556 1 516 . 1 1 45 45 PRO HD2 H 1 3.72 0.02 . 2 . . . . 45 PRO HD2 . 16556 1 517 . 1 1 45 45 PRO HD3 H 1 3.93 0.02 . 2 . . . . 45 PRO HD3 . 16556 1 518 . 1 1 45 45 PRO HG2 H 1 1.78 0.02 . 2 . . . . 45 PRO HG2 . 16556 1 519 . 1 1 45 45 PRO HG3 H 1 2.04 0.02 . 2 . . . . 45 PRO HG3 . 16556 1 520 . 1 1 45 45 PRO C C 13 175.9 0.2 . 1 . . . . 45 PRO C . 16556 1 521 . 1 1 45 45 PRO CA C 13 62.6 0.2 . 1 . . . . 45 PRO CA . 16556 1 522 . 1 1 45 45 PRO CB C 13 32.4 0.2 . 1 . . . . 45 PRO CB . 16556 1 523 . 1 1 45 45 PRO CD C 13 51.1 0.2 . 1 . . . . 45 PRO CD . 16556 1 524 . 1 1 45 45 PRO CG C 13 27.7 0.2 . 1 . . . . 45 PRO CG . 16556 1 525 . 1 1 46 46 VAL H H 1 8.79 0.02 . 1 . . . . 46 VAL H . 16556 1 526 . 1 1 46 46 VAL HA H 1 4.05 0.02 . 1 . . . . 46 VAL HA . 16556 1 527 . 1 1 46 46 VAL HB H 1 2.30 0.02 . 1 . . . . 46 VAL HB . 16556 1 528 . 1 1 46 46 VAL HG11 H 1 0.95 0.02 . 2 . . . . 46 VAL HG1 . 16556 1 529 . 1 1 46 46 VAL HG12 H 1 0.95 0.02 . 2 . . . . 46 VAL HG1 . 16556 1 530 . 1 1 46 46 VAL HG13 H 1 0.95 0.02 . 2 . . . . 46 VAL HG1 . 16556 1 531 . 1 1 46 46 VAL HG21 H 1 0.94 0.02 . 2 . . . . 46 VAL HG2 . 16556 1 532 . 1 1 46 46 VAL HG22 H 1 0.94 0.02 . 2 . . . . 46 VAL HG2 . 16556 1 533 . 1 1 46 46 VAL HG23 H 1 0.94 0.02 . 2 . . . . 46 VAL HG2 . 16556 1 534 . 1 1 46 46 VAL C C 13 175.2 0.2 . 1 . . . . 46 VAL C . 16556 1 535 . 1 1 46 46 VAL CA C 13 61.7 0.2 . 1 . . . . 46 VAL CA . 16556 1 536 . 1 1 46 46 VAL CB C 13 30.8 0.2 . 1 . . . . 46 VAL CB . 16556 1 537 . 1 1 46 46 VAL CG1 C 13 21.7 0.2 . 2 . . . . 46 VAL CG1 . 16556 1 538 . 1 1 46 46 VAL CG2 C 13 20.3 0.2 . 2 . . . . 46 VAL CG2 . 16556 1 539 . 1 1 46 46 VAL N N 15 127.2 0.2 . 1 . . . . 46 VAL N . 16556 1 540 . 1 1 47 47 LEU H H 1 8.10 0.02 . 1 . . . . 47 LEU H . 16556 1 541 . 1 1 47 47 LEU HA H 1 4.21 0.02 . 1 . . . . 47 LEU HA . 16556 1 542 . 1 1 47 47 LEU HB2 H 1 0.93 0.02 . 2 . . . . 47 LEU HB2 . 16556 1 543 . 1 1 47 47 LEU HB3 H 1 1.62 0.02 . 2 . . . . 47 LEU HB3 . 16556 1 544 . 1 1 47 47 LEU HD11 H 1 0.72 0.02 . 2 . . . . 47 LEU HD1 . 16556 1 545 . 1 1 47 47 LEU HD12 H 1 0.72 0.02 . 2 . . . . 47 LEU HD1 . 16556 1 546 . 1 1 47 47 LEU HD13 H 1 0.72 0.02 . 2 . . . . 47 LEU HD1 . 16556 1 547 . 1 1 47 47 LEU HD21 H 1 0.24 0.02 . 2 . . . . 47 LEU HD2 . 16556 1 548 . 1 1 47 47 LEU HD22 H 1 0.24 0.02 . 2 . . . . 47 LEU HD2 . 16556 1 549 . 1 1 47 47 LEU HD23 H 1 0.24 0.02 . 2 . . . . 47 LEU HD2 . 16556 1 550 . 1 1 47 47 LEU HG H 1 1.23 0.02 . 1 . . . . 47 LEU HG . 16556 1 551 . 1 1 47 47 LEU C C 13 175.6 0.2 . 1 . . . . 47 LEU C . 16556 1 552 . 1 1 47 47 LEU CA C 13 52.7 0.2 . 1 . . . . 47 LEU CA . 16556 1 553 . 1 1 47 47 LEU CB C 13 39.4 0.2 . 1 . . . . 47 LEU CB . 16556 1 554 . 1 1 47 47 LEU CD1 C 13 26.0 0.2 . 2 . . . . 47 LEU CD1 . 16556 1 555 . 1 1 47 47 LEU CD2 C 13 23.2 0.2 . 2 . . . . 47 LEU CD2 . 16556 1 556 . 1 1 47 47 LEU CG C 13 26.1 0.2 . 1 . . . . 47 LEU CG . 16556 1 557 . 1 1 47 47 LEU N N 15 127.1 0.2 . 1 . . . . 47 LEU N . 16556 1 558 . 1 1 48 48 LEU H H 1 7.37 0.02 . 1 . . . . 48 LEU H . 16556 1 559 . 1 1 48 48 LEU HA H 1 4.83 0.02 . 1 . . . . 48 LEU HA . 16556 1 560 . 1 1 48 48 LEU HB2 H 1 1.46 0.02 . 2 . . . . 48 LEU HB2 . 16556 1 561 . 1 1 48 48 LEU HB3 H 1 1.61 0.02 . 2 . . . . 48 LEU HB3 . 16556 1 562 . 1 1 48 48 LEU HD11 H 1 0.90 0.02 . 2 . . . . 48 LEU HD1 . 16556 1 563 . 1 1 48 48 LEU HD12 H 1 0.90 0.02 . 2 . . . . 48 LEU HD1 . 16556 1 564 . 1 1 48 48 LEU HD13 H 1 0.90 0.02 . 2 . . . . 48 LEU HD1 . 16556 1 565 . 1 1 48 48 LEU HD21 H 1 0.95 0.02 . 2 . . . . 48 LEU HD2 . 16556 1 566 . 1 1 48 48 LEU HD22 H 1 0.95 0.02 . 2 . . . . 48 LEU HD2 . 16556 1 567 . 1 1 48 48 LEU HD23 H 1 0.95 0.02 . 2 . . . . 48 LEU HD2 . 16556 1 568 . 1 1 48 48 LEU HG H 1 1.51 0.02 . 1 . . . . 48 LEU HG . 16556 1 569 . 1 1 48 48 LEU C C 13 177.9 0.2 . 1 . . . . 48 LEU C . 16556 1 570 . 1 1 48 48 LEU CA C 13 52.8 0.2 . 1 . . . . 48 LEU CA . 16556 1 571 . 1 1 48 48 LEU CB C 13 44.2 0.2 . 1 . . . . 48 LEU CB . 16556 1 572 . 1 1 48 48 LEU CD1 C 13 25.4 0.2 . 2 . . . . 48 LEU CD1 . 16556 1 573 . 1 1 48 48 LEU CD2 C 13 23.5 0.2 . 2 . . . . 48 LEU CD2 . 16556 1 574 . 1 1 48 48 LEU CG C 13 26.8 0.2 . 1 . . . . 48 LEU CG . 16556 1 575 . 1 1 48 48 LEU N N 15 121.2 0.2 . 1 . . . . 48 LEU N . 16556 1 576 . 1 1 49 49 VAL H H 1 9.02 0.02 . 1 . . . . 49 VAL H . 16556 1 577 . 1 1 49 49 VAL HA H 1 3.79 0.02 . 1 . . . . 49 VAL HA . 16556 1 578 . 1 1 49 49 VAL HB H 1 2.07 0.02 . 1 . . . . 49 VAL HB . 16556 1 579 . 1 1 49 49 VAL HG11 H 1 0.99 0.02 . 2 . . . . 49 VAL HG1 . 16556 1 580 . 1 1 49 49 VAL HG12 H 1 0.99 0.02 . 2 . . . . 49 VAL HG1 . 16556 1 581 . 1 1 49 49 VAL HG13 H 1 0.99 0.02 . 2 . . . . 49 VAL HG1 . 16556 1 582 . 1 1 49 49 VAL HG21 H 1 1.11 0.02 . 2 . . . . 49 VAL HG2 . 16556 1 583 . 1 1 49 49 VAL HG22 H 1 1.11 0.02 . 2 . . . . 49 VAL HG2 . 16556 1 584 . 1 1 49 49 VAL HG23 H 1 1.11 0.02 . 2 . . . . 49 VAL HG2 . 16556 1 585 . 1 1 49 49 VAL C C 13 178.1 0.2 . 1 . . . . 49 VAL C . 16556 1 586 . 1 1 49 49 VAL CA C 13 66.7 0.2 . 1 . . . . 49 VAL CA . 16556 1 587 . 1 1 49 49 VAL CB C 13 31.9 0.2 . 1 . . . . 49 VAL CB . 16556 1 588 . 1 1 49 49 VAL CG1 C 13 21.4 0.2 . 2 . . . . 49 VAL CG1 . 16556 1 589 . 1 1 49 49 VAL CG2 C 13 22.2 0.2 . 2 . . . . 49 VAL CG2 . 16556 1 590 . 1 1 49 49 VAL N N 15 124.6 0.2 . 1 . . . . 49 VAL N . 16556 1 591 . 1 1 50 50 ASP H H 1 8.75 0.02 . 1 . . . . 50 ASP H . 16556 1 592 . 1 1 50 50 ASP HA H 1 4.49 0.02 . 1 . . . . 50 ASP HA . 16556 1 593 . 1 1 50 50 ASP HB2 H 1 2.59 0.02 . 2 . . . . 50 ASP HB2 . 16556 1 594 . 1 1 50 50 ASP HB3 H 1 2.76 0.02 . 2 . . . . 50 ASP HB3 . 16556 1 595 . 1 1 50 50 ASP C C 13 176.9 0.2 . 1 . . . . 50 ASP C . 16556 1 596 . 1 1 50 50 ASP CA C 13 56.2 0.2 . 1 . . . . 50 ASP CA . 16556 1 597 . 1 1 50 50 ASP CB C 13 40.4 0.2 . 1 . . . . 50 ASP CB . 16556 1 598 . 1 1 50 50 ASP N N 15 117.3 0.2 . 1 . . . . 50 ASP N . 16556 1 599 . 1 1 51 51 GLU H H 1 7.50 0.02 . 1 . . . . 51 GLU H . 16556 1 600 . 1 1 51 51 GLU HA H 1 4.47 0.02 . 1 . . . . 51 GLU HA . 16556 1 601 . 1 1 51 51 GLU HB2 H 1 1.83 0.02 . 2 . . . . 51 GLU HB2 . 16556 1 602 . 1 1 51 51 GLU HB3 H 1 2.45 0.02 . 2 . . . . 51 GLU HB3 . 16556 1 603 . 1 1 51 51 GLU HG2 H 1 2.15 0.02 . 2 . . . . 51 GLU HG2 . 16556 1 604 . 1 1 51 51 GLU HG3 H 1 2.28 0.02 . 2 . . . . 51 GLU HG3 . 16556 1 605 . 1 1 51 51 GLU C C 13 175.3 0.2 . 1 . . . . 51 GLU C . 16556 1 606 . 1 1 51 51 GLU CA C 13 55.6 0.2 . 1 . . . . 51 GLU CA . 16556 1 607 . 1 1 51 51 GLU CB C 13 30.3 0.2 . 1 . . . . 51 GLU CB . 16556 1 608 . 1 1 51 51 GLU CG C 13 36.0 0.2 . 1 . . . . 51 GLU CG . 16556 1 609 . 1 1 51 51 GLU N N 15 116.1 0.2 . 1 . . . . 51 GLU N . 16556 1 610 . 1 1 52 52 ALA H H 1 7.37 0.02 . 1 . . . . 52 ALA H . 16556 1 611 . 1 1 52 52 ALA HA H 1 4.36 0.02 . 1 . . . . 52 ALA HA . 16556 1 612 . 1 1 52 52 ALA HB1 H 1 1.03 0.02 . 1 . . . . 52 ALA HB . 16556 1 613 . 1 1 52 52 ALA HB2 H 1 1.03 0.02 . 1 . . . . 52 ALA HB . 16556 1 614 . 1 1 52 52 ALA HB3 H 1 1.03 0.02 . 1 . . . . 52 ALA HB . 16556 1 615 . 1 1 52 52 ALA C C 13 177.1 0.2 . 1 . . . . 52 ALA C . 16556 1 616 . 1 1 52 52 ALA CA C 13 51.9 0.2 . 1 . . . . 52 ALA CA . 16556 1 617 . 1 1 52 52 ALA CB C 13 20.9 0.2 . 1 . . . . 52 ALA CB . 16556 1 618 . 1 1 52 52 ALA N N 15 122.0 0.2 . 1 . . . . 52 ALA N . 16556 1 619 . 1 1 53 53 ARG H H 1 8.88 0.02 . 1 . . . . 53 ARG H . 16556 1 620 . 1 1 53 53 ARG HA H 1 4.56 0.02 . 1 . . . . 53 ARG HA . 16556 1 621 . 1 1 53 53 ARG HB2 H 1 1.73 0.02 . 2 . . . . 53 ARG HB2 . 16556 1 622 . 1 1 53 53 ARG HB3 H 1 1.84 0.02 . 2 . . . . 53 ARG HB3 . 16556 1 623 . 1 1 53 53 ARG HD2 H 1 3.09 0.02 . 2 . . . . 53 ARG HD2 . 16556 1 624 . 1 1 53 53 ARG HD3 H 1 3.31 0.02 . 2 . . . . 53 ARG HD3 . 16556 1 625 . 1 1 53 53 ARG HE H 1 8.38 0.02 . 1 . . . . 53 ARG HE . 16556 1 626 . 1 1 53 53 ARG HG2 H 1 1.46 0.02 . 2 . . . . 53 ARG HG2 . 16556 1 627 . 1 1 53 53 ARG HG3 H 1 1.52 0.02 . 2 . . . . 53 ARG HG3 . 16556 1 628 . 1 1 53 53 ARG C C 13 175.8 0.2 . 1 . . . . 53 ARG C . 16556 1 629 . 1 1 53 53 ARG CA C 13 54.9 0.2 . 1 . . . . 53 ARG CA . 16556 1 630 . 1 1 53 53 ARG CB C 13 32.5 0.2 . 1 . . . . 53 ARG CB . 16556 1 631 . 1 1 53 53 ARG CD C 13 43.2 0.2 . 1 . . . . 53 ARG CD . 16556 1 632 . 1 1 53 53 ARG CG C 13 27.8 0.2 . 1 . . . . 53 ARG CG . 16556 1 633 . 1 1 53 53 ARG N N 15 121.5 0.2 . 1 . . . . 53 ARG N . 16556 1 634 . 1 1 53 53 ARG NE N 15 84.0 0.2 . 1 . . . . 53 ARG NE . 16556 1 635 . 1 1 54 54 ARG H H 1 8.78 0.02 . 1 . . . . 54 ARG H . 16556 1 636 . 1 1 54 54 ARG HA H 1 4.56 0.02 . 1 . . . . 54 ARG HA . 16556 1 637 . 1 1 54 54 ARG HB2 H 1 1.67 0.02 . 2 . . . . 54 ARG HB2 . 16556 1 638 . 1 1 54 54 ARG HB3 H 1 1.86 0.02 . 2 . . . . 54 ARG HB3 . 16556 1 639 . 1 1 54 54 ARG HD2 H 1 3.16 0.02 . 2 . . . . 54 ARG HD2 . 16556 1 640 . 1 1 54 54 ARG HD3 H 1 3.16 0.02 . 2 . . . . 54 ARG HD3 . 16556 1 641 . 1 1 54 54 ARG HG2 H 1 1.58 0.02 . 2 . . . . 54 ARG HG2 . 16556 1 642 . 1 1 54 54 ARG HG3 H 1 1.66 0.02 . 2 . . . . 54 ARG HG3 . 16556 1 643 . 1 1 54 54 ARG CA C 13 54.0 0.2 . 1 . . . . 54 ARG CA . 16556 1 644 . 1 1 54 54 ARG CB C 13 30.1 0.2 . 1 . . . . 54 ARG CB . 16556 1 645 . 1 1 54 54 ARG CD C 13 43.3 0.2 . 1 . . . . 54 ARG CD . 16556 1 646 . 1 1 54 54 ARG CG C 13 27.9 0.2 . 1 . . . . 54 ARG CG . 16556 1 647 . 1 1 54 54 ARG N N 15 127.2 0.2 . 1 . . . . 54 ARG N . 16556 1 648 . 1 1 55 55 PRO HA H 1 4.38 0.02 . 1 . . . . 55 PRO HA . 16556 1 649 . 1 1 55 55 PRO HB2 H 1 1.95 0.02 . 2 . . . . 55 PRO HB2 . 16556 1 650 . 1 1 55 55 PRO HB3 H 1 2.26 0.02 . 2 . . . . 55 PRO HB3 . 16556 1 651 . 1 1 55 55 PRO HD2 H 1 3.71 0.02 . 2 . . . . 55 PRO HD2 . 16556 1 652 . 1 1 55 55 PRO HD3 H 1 3.71 0.02 . 2 . . . . 55 PRO HD3 . 16556 1 653 . 1 1 55 55 PRO HG2 H 1 2.02 0.02 . 2 . . . . 55 PRO HG2 . 16556 1 654 . 1 1 55 55 PRO HG3 H 1 2.02 0.02 . 2 . . . . 55 PRO HG3 . 16556 1 655 . 1 1 55 55 PRO C C 13 176.0 0.2 . 1 . . . . 55 PRO C . 16556 1 656 . 1 1 55 55 PRO CA C 13 63.5 0.2 . 1 . . . . 55 PRO CA . 16556 1 657 . 1 1 55 55 PRO CB C 13 32.0 0.2 . 1 . . . . 55 PRO CB . 16556 1 658 . 1 1 55 55 PRO CD C 13 51.0 0.2 . 1 . . . . 55 PRO CD . 16556 1 659 . 1 1 55 55 PRO CG C 13 27.5 0.2 . 1 . . . . 55 PRO CG . 16556 1 660 . 1 1 56 56 GLU H H 1 8.06 0.02 . 1 . . . . 56 GLU H . 16556 1 661 . 1 1 56 56 GLU HA H 1 4.09 0.02 . 1 . . . . 56 GLU HA . 16556 1 662 . 1 1 56 56 GLU HB2 H 1 1.86 0.02 . 2 . . . . 56 GLU HB2 . 16556 1 663 . 1 1 56 56 GLU HB3 H 1 2.03 0.02 . 2 . . . . 56 GLU HB3 . 16556 1 664 . 1 1 56 56 GLU HG2 H 1 2.22 0.02 . 2 . . . . 56 GLU HG2 . 16556 1 665 . 1 1 56 56 GLU HG3 H 1 2.22 0.02 . 2 . . . . 56 GLU HG3 . 16556 1 666 . 1 1 56 56 GLU CA C 13 58.0 0.2 . 1 . . . . 56 GLU CA . 16556 1 667 . 1 1 56 56 GLU CB C 13 31.2 0.2 . 1 . . . . 56 GLU CB . 16556 1 668 . 1 1 56 56 GLU CG C 13 36.4 0.2 . 1 . . . . 56 GLU CG . 16556 1 669 . 1 1 56 56 GLU N N 15 126.3 0.2 . 1 . . . . 56 GLU N . 16556 1 stop_ save_