################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4959 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample1 . 4959 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 3 3 SER N N 15 119.792 0.2 . 1 . . . . . . . . 4959 1 2 . 1 1 3 3 SER H H 1 8.494 0.03 . 1 . . . . . . . . 4959 1 3 . 1 1 3 3 SER CA C 13 56.130 0.3 . 1 . . . . . . . . 4959 1 4 . 1 1 3 3 SER HA H 1 4.506 0.03 . 1 . . . . . . . . 4959 1 5 . 1 1 3 3 SER CB C 13 61.609 0.3 . 1 . . . . . . . . 4959 1 6 . 1 1 3 3 SER HB2 H 1 3.901 0.03 . 1 . . . . . . . . 4959 1 7 . 1 1 3 3 SER HB3 H 1 3.901 0.03 . 1 . . . . . . . . 4959 1 8 . 1 1 3 3 SER C C 13 172.319 0.3 . 1 . . . . . . . . 4959 1 9 . 1 1 4 4 ARG N N 15 124.393 0.2 . 1 . . . . . . . . 4959 1 10 . 1 1 4 4 ARG H H 1 8.394 0.03 . 1 . . . . . . . . 4959 1 11 . 1 1 4 4 ARG CA C 13 54.086 0.3 . 1 . . . . . . . . 4959 1 12 . 1 1 4 4 ARG HA H 1 4.371 0.03 . 1 . . . . . . . . 4959 1 13 . 1 1 4 4 ARG CB C 13 28.474 0.3 . 1 . . . . . . . . 4959 1 14 . 1 1 4 4 ARG HB2 H 1 1.806 0.03 . 2 . . . . . . . . 4959 1 15 . 1 1 4 4 ARG HB3 H 1 1.869 0.03 . 2 . . . . . . . . 4959 1 16 . 1 1 4 4 ARG HG2 H 1 1.649 0.03 . 2 . . . . . . . . 4959 1 17 . 1 1 4 4 ARG HD2 H 1 3.206 0.03 . 2 . . . . . . . . 4959 1 18 . 1 1 4 4 ARG C C 13 174.071 0.3 . 1 . . . . . . . . 4959 1 19 . 1 1 5 5 MET N N 15 122.709 0.2 . 1 . . . . . . . . 4959 1 20 . 1 1 5 5 MET H H 1 8.327 0.03 . 1 . . . . . . . . 4959 1 21 . 1 1 5 5 MET CA C 13 53.347 0.3 . 1 . . . . . . . . 4959 1 22 . 1 1 5 5 MET HA H 1 4.518 0.03 . 1 . . . . . . . . 4959 1 23 . 1 1 5 5 MET CB C 13 30.475 0.3 . 1 . . . . . . . . 4959 1 24 . 1 1 5 5 MET HB2 H 1 2.104 0.03 . 2 . . . . . . . . 4959 1 25 . 1 1 5 5 MET HB3 H 1 2.034 0.03 . 2 . . . . . . . . 4959 1 26 . 1 1 5 5 MET CG C 13 29.997 0.3 . 1 . . . . . . . . 4959 1 27 . 1 1 5 5 MET HG2 H 1 2.553 0.03 . 2 . . . . . . . . 4959 1 28 . 1 1 5 5 MET HG3 H 1 2.628 0.03 . 2 . . . . . . . . 4959 1 29 . 1 1 5 5 MET C C 13 174.053 0.3 . 1 . . . . . . . . 4959 1 30 . 1 1 6 6 SER N N 15 118.654 0.2 . 1 . . . . . . . . 4959 1 31 . 1 1 6 6 SER H H 1 8.344 0.03 . 1 . . . . . . . . 4959 1 32 . 1 1 6 6 SER CA C 13 56.043 0.3 . 1 . . . . . . . . 4959 1 33 . 1 1 6 6 SER HA H 1 4.537 0.03 . 1 . . . . . . . . 4959 1 34 . 1 1 6 6 SER CB C 13 61.609 0.3 . 1 . . . . . . . . 4959 1 35 . 1 1 6 6 SER HB2 H 1 3.934 0.03 . 1 . . . . . . . . 4959 1 36 . 1 1 6 6 SER HB3 H 1 3.934 0.03 . 1 . . . . . . . . 4959 1 37 . 1 1 6 6 SER C C 13 172.793 0.3 . 1 . . . . . . . . 4959 1 38 . 1 1 7 7 THR N N 15 117.213 0.2 . 1 . . . . . . . . 4959 1 39 . 1 1 7 7 THR H H 1 8.239 0.03 . 1 . . . . . . . . 4959 1 40 . 1 1 7 7 THR CA C 13 60.087 0.3 . 1 . . . . . . . . 4959 1 41 . 1 1 7 7 THR HA H 1 4.364 0.03 . 1 . . . . . . . . 4959 1 42 . 1 1 7 7 THR CB C 13 67.349 0.3 . 1 . . . . . . . . 4959 1 43 . 1 1 7 7 THR HB H 1 4.316 0.03 . 1 . . . . . . . . 4959 1 44 . 1 1 7 7 THR CG2 C 13 19.441 0.3 . 1 . . . . . . . . 4959 1 45 . 1 1 7 7 THR HG21 H 1 1.239 0.03 . 1 . . . . . . . . 4959 1 46 . 1 1 7 7 THR HG22 H 1 1.239 0.03 . 1 . . . . . . . . 4959 1 47 . 1 1 7 7 THR HG23 H 1 1.239 0.03 . 1 . . . . . . . . 4959 1 48 . 1 1 7 7 THR C C 13 172.811 0.3 . 1 . . . . . . . . 4959 1 49 . 1 1 8 8 SER N N 15 119.047 0.2 . 1 . . . . . . . . 4959 1 50 . 1 1 8 8 SER H H 1 8.293 0.03 . 1 . . . . . . . . 4959 1 51 . 1 1 8 8 SER CA C 13 56.738 0.3 . 1 . . . . . . . . 4959 1 52 . 1 1 8 8 SER HA H 1 4.447 0.03 . 1 . . . . . . . . 4959 1 53 . 1 1 8 8 SER CB C 13 61.435 0.3 . 1 . . . . . . . . 4959 1 54 . 1 1 8 8 SER HB2 H 1 3.921 0.03 . 1 . . . . . . . . 4959 1 55 . 1 1 8 8 SER HB3 H 1 3.921 0.03 . 1 . . . . . . . . 4959 1 56 . 1 1 8 8 SER C C 13 172.847 0.3 . 1 . . . . . . . . 4959 1 57 . 1 1 9 9 SER N N 15 119.449 0.2 . 1 . . . . . . . . 4959 1 58 . 1 1 9 9 SER H H 1 8.268 0.03 . 1 . . . . . . . . 4959 1 59 . 1 1 9 9 SER CA C 13 56.869 0.3 . 1 . . . . . . . . 4959 1 60 . 1 1 9 9 SER HA H 1 4.420 0.03 . 1 . . . . . . . . 4959 1 61 . 1 1 9 9 SER CB C 13 61.348 0.3 . 1 . . . . . . . . 4959 1 62 . 1 1 9 9 SER HB2 H 1 3.913 0.03 . 1 . . . . . . . . 4959 1 63 . 1 1 9 9 SER HB3 H 1 3.913 0.03 . 1 . . . . . . . . 4959 1 64 . 1 1 9 9 SER C C 13 172.595 0.3 . 1 . . . . . . . . 4959 1 65 . 1 1 10 10 LEU N N 15 125.015 0.2 . 1 . . . . . . . . 4959 1 66 . 1 1 10 10 LEU H H 1 8.078 0.03 . 1 . . . . . . . . 4959 1 67 . 1 1 10 10 LEU CA C 13 53.608 0.3 . 1 . . . . . . . . 4959 1 68 . 1 1 10 10 LEU HA H 1 4.300 0.03 . 1 . . . . . . . . 4959 1 69 . 1 1 10 10 LEU CB C 13 39.867 0.3 . 1 . . . . . . . . 4959 1 70 . 1 1 10 10 LEU HB2 H 1 1.629 0.03 . 2 . . . . . . . . 4959 1 71 . 1 1 10 10 LEU HB3 H 1 1.714 0.03 . 2 . . . . . . . . 4959 1 72 . 1 1 10 10 LEU CG C 13 24.850 0.3 . 1 . . . . . . . . 4959 1 73 . 1 1 10 10 LEU HG H 1 1.644 0.03 . 1 . . . . . . . . 4959 1 74 . 1 1 10 10 LEU CD1 C 13 22.772 0.3 . 2 . . . . . . . . 4959 1 75 . 1 1 10 10 LEU HD11 H 1 0.919 0.03 . 2 . . . . . . . . 4959 1 76 . 1 1 10 10 LEU HD12 H 1 0.919 0.03 . 2 . . . . . . . . 4959 1 77 . 1 1 10 10 LEU HD13 H 1 0.919 0.03 . 2 . . . . . . . . 4959 1 78 . 1 1 10 10 LEU CD2 C 13 21.510 0.3 . 2 . . . . . . . . 4959 1 79 . 1 1 10 10 LEU HD21 H 1 0.872 0.03 . 2 . . . . . . . . 4959 1 80 . 1 1 10 10 LEU HD22 H 1 0.872 0.03 . 2 . . . . . . . . 4959 1 81 . 1 1 10 10 LEU HD23 H 1 0.872 0.03 . 2 . . . . . . . . 4959 1 82 . 1 1 10 10 LEU C C 13 175.402 0.3 . 1 . . . . . . . . 4959 1 83 . 1 1 11 11 ARG N N 15 122.235 0.2 . 1 . . . . . . . . 4959 1 84 . 1 1 11 11 ARG H H 1 8.123 0.03 . 1 . . . . . . . . 4959 1 85 . 1 1 11 11 ARG CA C 13 54.303 0.3 . 1 . . . . . . . . 4959 1 86 . 1 1 11 11 ARG HA H 1 4.269 0.03 . 1 . . . . . . . . 4959 1 87 . 1 1 11 11 ARG CB C 13 28.387 0.3 . 1 . . . . . . . . 4959 1 88 . 1 1 11 11 ARG HB2 H 1 1.859 0.03 . 2 . . . . . . . . 4959 1 89 . 1 1 11 11 ARG HB3 H 1 1.794 0.03 . 2 . . . . . . . . 4959 1 90 . 1 1 11 11 ARG CG C 13 24.947 0.3 . 1 . . . . . . . . 4959 1 91 . 1 1 11 11 ARG HG2 H 1 1.641 0.03 . 1 . . . . . . . . 4959 1 92 . 1 1 11 11 ARG HG3 H 1 1.641 0.03 . 1 . . . . . . . . 4959 1 93 . 1 1 11 11 ARG CD C 13 41.126 0.3 . 1 . . . . . . . . 4959 1 94 . 1 1 11 11 ARG HD2 H 1 3.219 0.03 . 1 . . . . . . . . 4959 1 95 . 1 1 11 11 ARG HD3 H 1 3.219 0.03 . 1 . . . . . . . . 4959 1 96 . 1 1 11 11 ARG C C 13 172.085 0.3 . 1 . . . . . . . . 4959 1 97 . 1 1 12 12 ARG N N 15 122.784 0.2 . 1 . . . . . . . . 4959 1 98 . 1 1 12 12 ARG H H 1 8.134 0.03 . 1 . . . . . . . . 4959 1 99 . 1 1 12 12 ARG CA C 13 54.434 0.3 . 1 . . . . . . . . 4959 1 100 . 1 1 12 12 ARG HA H 1 4.287 0.03 . 1 . . . . . . . . 4959 1 101 . 1 1 12 12 ARG CB C 13 28.474 0.3 . 1 . . . . . . . . 4959 1 102 . 1 1 12 12 ARG HB2 H 1 1.826 0.03 . 2 . . . . . . . . 4959 1 103 . 1 1 12 12 ARG HB3 H 1 1.870 0.03 . 2 . . . . . . . . 4959 1 104 . 1 1 12 12 ARG CG C 13 24.907 0.3 . 1 . . . . . . . . 4959 1 105 . 1 1 12 12 ARG HG2 H 1 1.647 0.03 . 1 . . . . . . . . 4959 1 106 . 1 1 12 12 ARG HG3 H 1 1.647 0.03 . 1 . . . . . . . . 4959 1 107 . 1 1 12 12 ARG CD C 13 41.148 0.3 . 1 . . . . . . . . 4959 1 108 . 1 1 12 12 ARG HD2 H 1 3.213 0.03 . 1 . . . . . . . . 4959 1 109 . 1 1 12 12 ARG HD3 H 1 3.213 0.03 . 1 . . . . . . . . 4959 1 110 . 1 1 12 12 ARG C C 13 174.053 0.3 . 1 . . . . . . . . 4959 1 111 . 1 1 13 13 GLN N N 15 122.232 0.2 . 1 . . . . . . . . 4959 1 112 . 1 1 13 13 GLN H H 1 8.280 0.03 . 1 . . . . . . . . 4959 1 113 . 1 1 13 13 GLN CA C 13 53.999 0.3 . 1 . . . . . . . . 4959 1 114 . 1 1 13 13 GLN HA H 1 4.334 0.03 . 1 . . . . . . . . 4959 1 115 . 1 1 13 13 GLN CB C 13 27.257 0.3 . 1 . . . . . . . . 4959 1 116 . 1 1 13 13 GLN HB2 H 1 2.090 0.03 . 2 . . . . . . . . 4959 1 117 . 1 1 13 13 GLN HB3 H 1 2.004 0.03 . 2 . . . . . . . . 4959 1 118 . 1 1 13 13 GLN CG C 13 31.667 0.3 . 1 . . . . . . . . 4959 1 119 . 1 1 13 13 GLN HG2 H 1 2.378 0.03 . 1 . . . . . . . . 4959 1 120 . 1 1 13 13 GLN HG3 H 1 2.378 0.03 . 1 . . . . . . . . 4959 1 121 . 1 1 13 13 GLN C C 13 173.927 0.3 . 1 . . . . . . . . 4959 1 122 . 1 1 14 14 MET N N 15 122.868 0.2 . 1 . . . . . . . . 4959 1 123 . 1 1 14 14 MET H H 1 8.280 0.03 . 1 . . . . . . . . 4959 1 124 . 1 1 14 14 MET CA C 13 53.521 0.3 . 1 . . . . . . . . 4959 1 125 . 1 1 14 14 MET HA H 1 4.461 0.03 . 1 . . . . . . . . 4959 1 126 . 1 1 14 14 MET CB C 13 30.388 0.3 . 1 . . . . . . . . 4959 1 127 . 1 1 14 14 MET HB2 H 1 2.100 0.03 . 2 . . . . . . . . 4959 1 128 . 1 1 14 14 MET HB3 H 1 2.029 0.03 . 2 . . . . . . . . 4959 1 129 . 1 1 14 14 MET CG C 13 29.970 0.3 . 1 . . . . . . . . 4959 1 130 . 1 1 14 14 MET HG2 H 1 2.553 0.03 . 2 . . . . . . . . 4959 1 131 . 1 1 14 14 MET HG3 H 1 2.624 0.03 . 2 . . . . . . . . 4959 1 132 . 1 1 14 14 MET C C 13 173.945 0.3 . 1 . . . . . . . . 4959 1 133 . 1 1 15 15 LYS N N 15 123.036 0.2 . 1 . . . . . . . . 4959 1 134 . 1 1 15 15 LYS H H 1 8.205 0.03 . 1 . . . . . . . . 4959 1 135 . 1 1 15 15 LYS CA C 13 54.303 0.3 . 1 . . . . . . . . 4959 1 136 . 1 1 15 15 LYS HA H 1 4.297 0.03 . 1 . . . . . . . . 4959 1 137 . 1 1 15 15 LYS CB C 13 30.736 0.3 . 1 . . . . . . . . 4959 1 138 . 1 1 15 15 LYS HB2 H 1 1.819 0.03 . 2 . . . . . . . . 4959 1 139 . 1 1 15 15 LYS HB3 H 1 1.752 0.03 . 2 . . . . . . . . 4959 1 140 . 1 1 15 15 LYS CG C 13 22.542 0.3 . 1 . . . . . . . . 4959 1 141 . 1 1 15 15 LYS HG2 H 1 1.395 0.03 . 2 . . . . . . . . 4959 1 142 . 1 1 15 15 LYS HG3 H 1 1.437 0.03 . 2 . . . . . . . . 4959 1 143 . 1 1 15 15 LYS CD C 13 26.946 0.3 . 1 . . . . . . . . 4959 1 144 . 1 1 15 15 LYS HD2 H 1 1.688 0.03 . 1 . . . . . . . . 4959 1 145 . 1 1 15 15 LYS HD3 H 1 1.688 0.03 . 1 . . . . . . . . 4959 1 146 . 1 1 15 15 LYS CE C 13 39.908 0.3 . 1 . . . . . . . . 4959 1 147 . 1 1 15 15 LYS HE2 H 1 3.001 0.03 . 1 . . . . . . . . 4959 1 148 . 1 1 15 15 LYS HE3 H 1 3.001 0.03 . 1 . . . . . . . . 4959 1 149 . 1 1 15 15 LYS C C 13 174.035 0.3 . 1 . . . . . . . . 4959 1 150 . 1 1 16 16 ASN N N 15 120.842 0.2 . 1 . . . . . . . . 4959 1 151 . 1 1 16 16 ASN H H 1 8.355 0.03 . 1 . . . . . . . . 4959 1 152 . 1 1 16 16 ASN CA C 13 51.129 0.3 . 1 . . . . . . . . 4959 1 153 . 1 1 16 16 ASN HA H 1 4.694 0.03 . 1 . . . . . . . . 4959 1 154 . 1 1 16 16 ASN CB C 13 36.649 0.3 . 1 . . . . . . . . 4959 1 155 . 1 1 16 16 ASN HB2 H 1 2.736 0.03 . 2 . . . . . . . . 4959 1 156 . 1 1 16 16 ASN HB3 H 1 2.801 0.03 . 2 . . . . . . . . 4959 1 157 . 1 1 16 16 ASN C C 13 172.505 0.3 . 1 . . . . . . . . 4959 1 158 . 1 1 17 17 ILE N N 15 122.527 0.2 . 1 . . . . . . . . 4959 1 159 . 1 1 17 17 ILE H H 1 7.959 0.03 . 1 . . . . . . . . 4959 1 160 . 1 1 17 17 ILE CA C 13 58.869 0.3 . 1 . . . . . . . . 4959 1 161 . 1 1 17 17 ILE HA H 1 4.140 0.03 . 1 . . . . . . . . 4959 1 162 . 1 1 17 17 ILE CB C 13 36.736 0.3 . 1 . . . . . . . . 4959 1 163 . 1 1 17 17 ILE HB H 1 1.822 0.03 . 1 . . . . . . . . 4959 1 164 . 1 1 17 17 ILE CG1 C 13 24.976 0.3 . 1 . . . . . . . . 4959 1 165 . 1 1 17 17 ILE HG12 H 1 1.148 0.03 . 2 . . . . . . . . 4959 1 166 . 1 1 17 17 ILE HG13 H 1 1.411 0.03 . 2 . . . . . . . . 4959 1 167 . 1 1 17 17 ILE CG2 C 13 15.231 0.3 . 1 . . . . . . . . 4959 1 168 . 1 1 17 17 ILE HG21 H 1 0.772 0.03 . 1 . . . . . . . . 4959 1 169 . 1 1 17 17 ILE HG22 H 1 0.772 0.03 . 1 . . . . . . . . 4959 1 170 . 1 1 17 17 ILE HG23 H 1 0.772 0.03 . 1 . . . . . . . . 4959 1 171 . 1 1 17 17 ILE CD1 C 13 10.662 0.3 . 1 . . . . . . . . 4959 1 172 . 1 1 17 17 ILE HD11 H 1 0.819 0.03 . 1 . . . . . . . . 4959 1 173 . 1 1 17 17 ILE HD12 H 1 0.819 0.03 . 1 . . . . . . . . 4959 1 174 . 1 1 17 17 ILE HD13 H 1 0.819 0.03 . 1 . . . . . . . . 4959 1 175 . 1 1 17 17 ILE C C 13 173.675 0.3 . 1 . . . . . . . . 4959 1 176 . 1 1 18 18 VAL N N 15 125.633 0.2 . 1 . . . . . . . . 4959 1 177 . 1 1 18 18 VAL H H 1 8.076 0.03 . 1 . . . . . . . . 4959 1 178 . 1 1 18 18 VAL CA C 13 60.000 0.3 . 1 . . . . . . . . 4959 1 179 . 1 1 18 18 VAL HA H 1 4.010 0.03 . 1 . . . . . . . . 4959 1 180 . 1 1 18 18 VAL CB C 13 30.562 0.3 . 1 . . . . . . . . 4959 1 181 . 1 1 18 18 VAL HB H 1 1.970 0.03 . 1 . . . . . . . . 4959 1 182 . 1 1 18 18 VAL CG1 C 13 18.820 0.3 . 2 . . . . . . . . 4959 1 183 . 1 1 18 18 VAL HG11 H 1 0.796 0.03 . 2 . . . . . . . . 4959 1 184 . 1 1 18 18 VAL HG12 H 1 0.796 0.03 . 2 . . . . . . . . 4959 1 185 . 1 1 18 18 VAL HG13 H 1 0.796 0.03 . 2 . . . . . . . . 4959 1 186 . 1 1 18 18 VAL CG2 C 13 18.458 0.3 . 2 . . . . . . . . 4959 1 187 . 1 1 18 18 VAL HG21 H 1 0.861 0.03 . 2 . . . . . . . . 4959 1 188 . 1 1 18 18 VAL HG22 H 1 0.861 0.03 . 2 . . . . . . . . 4959 1 189 . 1 1 18 18 VAL HG23 H 1 0.861 0.03 . 2 . . . . . . . . 4959 1 190 . 1 1 18 18 VAL C C 13 173.279 0.3 . 1 . . . . . . . . 4959 1 191 . 1 1 19 19 HIS N N 15 124.114 0.2 . 1 . . . . . . . . 4959 1 192 . 1 1 19 19 HIS H H 1 8.284 0.03 . 1 . . . . . . . . 4959 1 193 . 1 1 19 19 HIS CA C 13 52.955 0.3 . 1 . . . . . . . . 4959 1 194 . 1 1 19 19 HIS HA H 1 4.500 0.03 . 1 . . . . . . . . 4959 1 195 . 1 1 19 19 HIS CB C 13 27.518 0.3 . 1 . . . . . . . . 4959 1 196 . 1 1 19 19 HIS HB2 H 1 2.836 0.03 . 1 . . . . . . . . 4959 1 197 . 1 1 19 19 HIS HB3 H 1 2.836 0.03 . 1 . . . . . . . . 4959 1 198 . 1 1 19 19 HIS CD2 C 13 117.692 0.3 . 1 . . . . . . . . 4959 1 199 . 1 1 19 19 HIS HD2 H 1 6.805 0.03 . 1 . . . . . . . . 4959 1 200 . 1 1 19 19 HIS C C 13 174.575 0.3 . 1 . . . . . . . . 4959 1 201 . 1 1 21 21 TYR N N 15 122.519 0.2 . 1 . . . . . . . . 4959 1 202 . 1 1 21 21 TYR H H 1 7.960 0.03 . 1 . . . . . . . . 4959 1 203 . 1 1 21 21 TYR CA C 13 55.086 0.3 . 1 . . . . . . . . 4959 1 204 . 1 1 21 21 TYR HA H 1 4.782 0.03 . 1 . . . . . . . . 4959 1 205 . 1 1 21 21 TYR CB C 13 37.693 0.3 . 1 . . . . . . . . 4959 1 206 . 1 1 21 21 TYR HB2 H 1 3.142 0.03 . 2 . . . . . . . . 4959 1 207 . 1 1 21 21 TYR HB3 H 1 2.636 0.03 . 2 . . . . . . . . 4959 1 208 . 1 1 21 21 TYR CD1 C 13 130.466 0.3 . 1 . . . . . . . . 4959 1 209 . 1 1 21 21 TYR HD1 H 1 7.080 0.03 . 1 . . . . . . . . 4959 1 210 . 1 1 21 21 TYR CD2 C 13 130.466 0.3 . 1 . . . . . . . . 4959 1 211 . 1 1 21 21 TYR HD2 H 1 7.080 0.03 . 1 . . . . . . . . 4959 1 212 . 1 1 21 21 TYR CE1 C 13 115.714 0.3 . 1 . . . . . . . . 4959 1 213 . 1 1 21 21 TYR HE1 H 1 6.688 0.03 . 1 . . . . . . . . 4959 1 214 . 1 1 21 21 TYR CE2 C 13 115.714 0.3 . 1 . . . . . . . . 4959 1 215 . 1 1 21 21 TYR HE2 H 1 6.688 0.03 . 1 . . . . . . . . 4959 1 216 . 1 1 21 21 TYR C C 13 174.053 0.3 . 1 . . . . . . . . 4959 1 217 . 1 1 22 22 SER N N 15 121.470 0.2 . 1 . . . . . . . . 4959 1 218 . 1 1 22 22 SER H H 1 9.593 0.03 . 1 . . . . . . . . 4959 1 219 . 1 1 22 22 SER CA C 13 54.782 0.3 . 1 . . . . . . . . 4959 1 220 . 1 1 22 22 SER HA H 1 4.552 0.03 . 1 . . . . . . . . 4959 1 221 . 1 1 22 22 SER CB C 13 63.174 0.3 . 1 . . . . . . . . 4959 1 222 . 1 1 22 22 SER HB2 H 1 4.417 0.03 . 2 . . . . . . . . 4959 1 223 . 1 1 22 22 SER HB3 H 1 4.039 0.03 . 2 . . . . . . . . 4959 1 224 . 1 1 22 22 SER C C 13 172.272 0.3 . 1 . . . . . . . . 4959 1 225 . 1 1 23 23 GLU N N 15 122.281 0.2 . 1 . . . . . . . . 4959 1 226 . 1 1 23 23 GLU H H 1 8.819 0.03 . 1 . . . . . . . . 4959 1 227 . 1 1 23 23 GLU CA C 13 57.739 0.3 . 1 . . . . . . . . 4959 1 228 . 1 1 23 23 GLU HA H 1 4.021 0.03 . 1 . . . . . . . . 4959 1 229 . 1 1 23 23 GLU CB C 13 27.257 0.3 . 1 . . . . . . . . 4959 1 230 . 1 1 23 23 GLU HB2 H 1 2.016 0.03 . 2 . . . . . . . . 4959 1 231 . 1 1 23 23 GLU HB3 H 1 2.090 0.03 . 2 . . . . . . . . 4959 1 232 . 1 1 23 23 GLU CG C 13 34.384 0.3 . 1 . . . . . . . . 4959 1 233 . 1 1 23 23 GLU HG2 H 1 2.350 0.03 . 2 . . . . . . . . 4959 1 234 . 1 1 23 23 GLU C C 13 176.338 0.3 . 1 . . . . . . . . 4959 1 235 . 1 1 24 24 ALA N N 15 121.433 0.2 . 1 . . . . . . . . 4959 1 236 . 1 1 24 24 ALA H H 1 8.574 0.03 . 1 . . . . . . . . 4959 1 237 . 1 1 24 24 ALA CA C 13 53.347 0.3 . 1 . . . . . . . . 4959 1 238 . 1 1 24 24 ALA HA H 1 3.761 0.03 . 1 . . . . . . . . 4959 1 239 . 1 1 24 24 ALA CB C 13 16.125 0.3 . 1 . . . . . . . . 4959 1 240 . 1 1 24 24 ALA HB1 H 1 1.460 0.03 . 1 . . . . . . . . 4959 1 241 . 1 1 24 24 ALA HB2 H 1 1.460 0.03 . 1 . . . . . . . . 4959 1 242 . 1 1 24 24 ALA HB3 H 1 1.460 0.03 . 1 . . . . . . . . 4959 1 243 . 1 1 24 24 ALA C C 13 176.698 0.3 . 1 . . . . . . . . 4959 1 244 . 1 1 25 25 GLU N N 15 117.551 0.2 . 1 . . . . . . . . 4959 1 245 . 1 1 25 25 GLU H H 1 7.679 0.03 . 1 . . . . . . . . 4959 1 246 . 1 1 25 25 GLU CA C 13 57.913 0.3 . 1 . . . . . . . . 4959 1 247 . 1 1 25 25 GLU HA H 1 3.482 0.03 . 1 . . . . . . . . 4959 1 248 . 1 1 25 25 GLU CB C 13 28.214 0.3 . 1 . . . . . . . . 4959 1 249 . 1 1 25 25 GLU HB2 H 1 1.684 0.03 . 2 . . . . . . . . 4959 1 250 . 1 1 25 25 GLU HB3 H 1 1.704 0.03 . 2 . . . . . . . . 4959 1 251 . 1 1 25 25 GLU HG2 H 1 2.494 0.03 . 2 . . . . . . . . 4959 1 252 . 1 1 25 25 GLU C C 13 176.644 0.3 . 1 . . . . . . . . 4959 1 253 . 1 1 26 26 ILE N N 15 121.601 0.2 . 1 . . . . . . . . 4959 1 254 . 1 1 26 26 ILE H H 1 8.533 0.03 . 1 . . . . . . . . 4959 1 255 . 1 1 26 26 ILE CA C 13 62.783 0.3 . 1 . . . . . . . . 4959 1 256 . 1 1 26 26 ILE HA H 1 3.383 0.03 . 1 . . . . . . . . 4959 1 257 . 1 1 26 26 ILE CB C 13 35.345 0.3 . 1 . . . . . . . . 4959 1 258 . 1 1 26 26 ILE HB H 1 1.961 0.03 . 1 . . . . . . . . 4959 1 259 . 1 1 26 26 ILE CG1 C 13 26.978 0.3 . 1 . . . . . . . . 4959 1 260 . 1 1 26 26 ILE HG12 H 1 1.105 0.03 . 2 . . . . . . . . 4959 1 261 . 1 1 26 26 ILE HG13 H 1 1.652 0.03 . 2 . . . . . . . . 4959 1 262 . 1 1 26 26 ILE CG2 C 13 14.843 0.3 . 1 . . . . . . . . 4959 1 263 . 1 1 26 26 ILE HG21 H 1 0.880 0.03 . 1 . . . . . . . . 4959 1 264 . 1 1 26 26 ILE HG22 H 1 0.880 0.03 . 1 . . . . . . . . 4959 1 265 . 1 1 26 26 ILE HG23 H 1 0.880 0.03 . 1 . . . . . . . . 4959 1 266 . 1 1 26 26 ILE CD1 C 13 10.680 0.3 . 1 . . . . . . . . 4959 1 267 . 1 1 26 26 ILE HD11 H 1 0.806 0.03 . 1 . . . . . . . . 4959 1 268 . 1 1 26 26 ILE HD12 H 1 0.806 0.03 . 1 . . . . . . . . 4959 1 269 . 1 1 26 26 ILE HD13 H 1 0.806 0.03 . 1 . . . . . . . . 4959 1 270 . 1 1 26 26 ILE C C 13 176.572 0.3 . 1 . . . . . . . . 4959 1 271 . 1 1 27 27 LYS N N 15 120.647 0.2 . 1 . . . . . . . . 4959 1 272 . 1 1 27 27 LYS H H 1 7.907 0.03 . 1 . . . . . . . . 4959 1 273 . 1 1 27 27 LYS CA C 13 57.913 0.3 . 1 . . . . . . . . 4959 1 274 . 1 1 27 27 LYS HA H 1 4.071 0.03 . 1 . . . . . . . . 4959 1 275 . 1 1 27 27 LYS CB C 13 30.562 0.3 . 1 . . . . . . . . 4959 1 276 . 1 1 27 27 LYS HB2 H 1 1.868 0.03 . 2 . . . . . . . . 4959 1 277 . 1 1 27 27 LYS C C 13 176.428 0.3 . 1 . . . . . . . . 4959 1 278 . 1 1 28 28 VAL N N 15 119.067 0.2 . 1 . . . . . . . . 4959 1 279 . 1 1 28 28 VAL H H 1 7.888 0.03 . 1 . . . . . . . . 4959 1 280 . 1 1 28 28 VAL CA C 13 64.566 0.3 . 1 . . . . . . . . 4959 1 281 . 1 1 28 28 VAL HA H 1 3.338 0.03 . 1 . . . . . . . . 4959 1 282 . 1 1 28 28 VAL CB C 13 28.822 0.3 . 1 . . . . . . . . 4959 1 283 . 1 1 28 28 VAL HB H 1 1.916 0.03 . 1 . . . . . . . . 4959 1 284 . 1 1 28 28 VAL CG1 C 13 22.945 0.3 . 2 . . . . . . . . 4959 1 285 . 1 1 28 28 VAL HG11 H 1 1.021 0.03 . 2 . . . . . . . . 4959 1 286 . 1 1 28 28 VAL HG12 H 1 1.021 0.03 . 2 . . . . . . . . 4959 1 287 . 1 1 28 28 VAL HG13 H 1 1.021 0.03 . 2 . . . . . . . . 4959 1 288 . 1 1 28 28 VAL CG2 C 13 19.581 0.3 . 2 . . . . . . . . 4959 1 289 . 1 1 28 28 VAL HG21 H 1 0.646 0.03 . 2 . . . . . . . . 4959 1 290 . 1 1 28 28 VAL HG22 H 1 0.646 0.03 . 2 . . . . . . . . 4959 1 291 . 1 1 28 28 VAL HG23 H 1 0.646 0.03 . 2 . . . . . . . . 4959 1 292 . 1 1 28 28 VAL C C 13 176.806 0.3 . 1 . . . . . . . . 4959 1 293 . 1 1 29 29 ARG N N 15 124.105 0.2 . 1 . . . . . . . . 4959 1 294 . 1 1 29 29 ARG H H 1 8.435 0.03 . 1 . . . . . . . . 4959 1 295 . 1 1 29 29 ARG CA C 13 58.347 0.3 . 1 . . . . . . . . 4959 1 296 . 1 1 29 29 ARG HA H 1 3.336 0.03 . 1 . . . . . . . . 4959 1 297 . 1 1 29 29 ARG CB C 13 26.996 0.3 . 1 . . . . . . . . 4959 1 298 . 1 1 29 29 ARG HB2 H 1 1.656 0.03 . 2 . . . . . . . . 4959 1 299 . 1 1 29 29 ARG HB3 H 1 1.790 0.03 . 2 . . . . . . . . 4959 1 300 . 1 1 29 29 ARG HG2 H 1 1.097 0.03 . 2 . . . . . . . . 4959 1 301 . 1 1 29 29 ARG C C 13 176.068 0.3 . 1 . . . . . . . . 4959 1 302 . 1 1 30 30 GLU N N 15 121.136 0.2 . 1 . . . . . . . . 4959 1 303 . 1 1 30 30 GLU H H 1 8.167 0.03 . 1 . . . . . . . . 4959 1 304 . 1 1 30 30 GLU CA C 13 56.956 0.3 . 1 . . . . . . . . 4959 1 305 . 1 1 30 30 GLU HA H 1 4.010 0.03 . 1 . . . . . . . . 4959 1 306 . 1 1 30 30 GLU CB C 13 26.996 0.3 . 1 . . . . . . . . 4959 1 307 . 1 1 30 30 GLU HB2 H 1 2.044 0.03 . 2 . . . . . . . . 4959 1 308 . 1 1 30 30 GLU HB3 H 1 2.159 0.03 . 2 . . . . . . . . 4959 1 309 . 1 1 30 30 GLU HG2 H 1 2.379 0.03 . 2 . . . . . . . . 4959 1 310 . 1 1 30 30 GLU C C 13 177.184 0.3 . 1 . . . . . . . . 4959 1 311 . 1 1 31 31 ALA N N 15 121.073 0.2 . 1 . . . . . . . . 4959 1 312 . 1 1 31 31 ALA H H 1 8.264 0.03 . 1 . . . . . . . . 4959 1 313 . 1 1 31 31 ALA CA C 13 51.520 0.3 . 1 . . . . . . . . 4959 1 314 . 1 1 31 31 ALA HA H 1 4.064 0.03 . 1 . . . . . . . . 4959 1 315 . 1 1 31 31 ALA CB C 13 17.082 0.3 . 1 . . . . . . . . 4959 1 316 . 1 1 31 31 ALA HB1 H 1 1.323 0.03 . 1 . . . . . . . . 4959 1 317 . 1 1 31 31 ALA HB2 H 1 1.323 0.03 . 1 . . . . . . . . 4959 1 318 . 1 1 31 31 ALA HB3 H 1 1.323 0.03 . 1 . . . . . . . . 4959 1 319 . 1 1 31 31 ALA C C 13 173.549 0.3 . 1 . . . . . . . . 4959 1 320 . 1 1 32 32 THR N N 15 103.346 0.2 . 1 . . . . . . . . 4959 1 321 . 1 1 32 32 THR H H 1 7.113 0.03 . 1 . . . . . . . . 4959 1 322 . 1 1 32 32 THR CA C 13 56.869 0.3 . 1 . . . . . . . . 4959 1 323 . 1 1 32 32 THR HA H 1 4.461 0.03 . 1 . . . . . . . . 4959 1 324 . 1 1 32 32 THR CB C 13 66.566 0.3 . 1 . . . . . . . . 4959 1 325 . 1 1 32 32 THR HB H 1 4.516 0.03 . 1 . . . . . . . . 4959 1 326 . 1 1 32 32 THR CG2 C 13 18.601 0.3 . 1 . . . . . . . . 4959 1 327 . 1 1 32 32 THR HG21 H 1 0.788 0.03 . 1 . . . . . . . . 4959 1 328 . 1 1 32 32 THR HG22 H 1 0.788 0.03 . 1 . . . . . . . . 4959 1 329 . 1 1 32 32 THR HG23 H 1 0.788 0.03 . 1 . . . . . . . . 4959 1 330 . 1 1 32 32 THR C C 13 170.295 0.3 . 1 . . . . . . . . 4959 1 331 . 1 1 33 33 SER N N 15 116.271 0.2 . 1 . . . . . . . . 4959 1 332 . 1 1 33 33 SER H H 1 6.672 0.03 . 1 . . . . . . . . 4959 1 333 . 1 1 33 33 SER CA C 13 56.086 0.3 . 1 . . . . . . . . 4959 1 334 . 1 1 33 33 SER HA H 1 4.280 0.03 . 1 . . . . . . . . 4959 1 335 . 1 1 36 36 PRO CA C 13 61.522 0.3 . 1 . . . . . . . . 4959 1 336 . 1 1 36 36 PRO HA H 1 4.069 0.03 . 1 . . . . . . . . 4959 1 337 . 1 1 36 36 PRO CB C 13 28.300 0.3 . 1 . . . . . . . . 4959 1 338 . 1 1 36 36 PRO HB2 H 1 1.807 0.03 . 2 . . . . . . . . 4959 1 339 . 1 1 36 36 PRO HB3 H 1 1.892 0.03 . 2 . . . . . . . . 4959 1 340 . 1 1 36 36 PRO C C 13 173.423 0.3 . 1 . . . . . . . . 4959 1 341 . 1 1 37 37 TRP N N 15 120.012 0.2 . 1 . . . . . . . . 4959 1 342 . 1 1 37 37 TRP H H 1 7.493 0.03 . 1 . . . . . . . . 4959 1 343 . 1 1 37 37 TRP CA C 13 54.250 0.3 . 1 . . . . . . . . 4959 1 344 . 1 1 37 37 TRP HA H 1 4.823 0.03 . 1 . . . . . . . . 4959 1 345 . 1 1 37 37 TRP CB C 13 27.898 0.3 . 1 . . . . . . . . 4959 1 346 . 1 1 37 37 TRP HB2 H 1 3.380 0.03 . 2 . . . . . . . . 4959 1 347 . 1 1 37 37 TRP HB3 H 1 3.158 0.03 . 2 . . . . . . . . 4959 1 348 . 1 1 37 37 TRP CD1 C 13 125.037 0.3 . 1 . . . . . . . . 4959 1 349 . 1 1 37 37 TRP HD1 H 1 7.154 0.03 . 1 . . . . . . . . 4959 1 350 . 1 1 37 37 TRP NE1 N 15 131.486 0.2 . 1 . . . . . . . . 4959 1 351 . 1 1 37 37 TRP HE1 H 1 10.130 0.03 . 1 . . . . . . . . 4959 1 352 . 1 1 37 37 TRP CE3 C 13 117.927 0.3 . 1 . . . . . . . . 4959 1 353 . 1 1 37 37 TRP HE3 H 1 7.562 0.03 . 1 . . . . . . . . 4959 1 354 . 1 1 37 37 TRP CZ2 C 13 112.697 0.3 . 1 . . . . . . . . 4959 1 355 . 1 1 37 37 TRP HZ2 H 1 7.453 0.03 . 1 . . . . . . . . 4959 1 356 . 1 1 37 37 TRP CZ3 C 13 119.828 0.3 . 1 . . . . . . . . 4959 1 357 . 1 1 37 37 TRP HZ3 H 1 7.142 0.03 . 1 . . . . . . . . 4959 1 358 . 1 1 37 37 TRP CH2 C 13 122.366 0.3 . 1 . . . . . . . . 4959 1 359 . 1 1 37 37 TRP HH2 H 1 7.185 0.03 . 1 . . . . . . . . 4959 1 360 . 1 1 37 37 TRP C C 13 173.261 0.3 . 1 . . . . . . . . 4959 1 361 . 1 1 38 38 GLY N N 15 108.243 0.2 . 1 . . . . . . . . 4959 1 362 . 1 1 38 38 GLY H H 1 8.284 0.03 . 1 . . . . . . . . 4959 1 363 . 1 1 38 38 GLY CA C 13 41.966 0.3 . 1 . . . . . . . . 4959 1 364 . 1 1 38 38 GLY HA2 H 1 3.392 0.03 . 2 . . . . . . . . 4959 1 365 . 1 1 38 38 GLY HA3 H 1 4.231 0.03 . 2 . . . . . . . . 4959 1 366 . 1 1 38 38 GLY C C 13 169.573 0.3 . 1 . . . . . . . . 4959 1 367 . 1 1 42 42 SER N N 15 118.665 0.2 . 1 . . . . . . . . 4959 1 368 . 1 1 42 42 SER H H 1 8.171 0.03 . 1 . . . . . . . . 4959 1 369 . 1 1 42 42 SER CA C 13 59.087 0.3 . 1 . . . . . . . . 4959 1 370 . 1 1 42 42 SER HA H 1 4.195 0.03 . 1 . . . . . . . . 4959 1 371 . 1 1 42 42 SER CB C 13 59.870 0.3 . 1 . . . . . . . . 4959 1 372 . 1 1 42 42 SER HB2 H 1 3.865 0.03 . 2 . . . . . . . . 4959 1 373 . 1 1 43 43 LEU N N 15 126.239 0.2 . 1 . . . . . . . . 4959 1 374 . 1 1 43 43 LEU H H 1 7.420 0.03 . 1 . . . . . . . . 4959 1 375 . 1 1 43 43 LEU CA C 13 55.273 0.3 . 1 . . . . . . . . 4959 1 376 . 1 1 43 43 LEU HA H 1 4.259 0.03 . 1 . . . . . . . . 4959 1 377 . 1 1 43 43 LEU CB C 13 39.519 0.3 . 1 . . . . . . . . 4959 1 378 . 1 1 43 43 LEU HB2 H 1 1.860 0.03 . 2 . . . . . . . . 4959 1 379 . 1 1 43 43 LEU HB3 H 1 1.575 0.03 . 2 . . . . . . . . 4959 1 380 . 1 1 43 43 LEU CG C 13 25.047 0.3 . 1 . . . . . . . . 4959 1 381 . 1 1 43 43 LEU HG H 1 1.397 0.03 . 1 . . . . . . . . 4959 1 382 . 1 1 43 43 LEU CD1 C 13 23.641 0.3 . 2 . . . . . . . . 4959 1 383 . 1 1 43 43 LEU HD11 H 1 0.969 0.03 . 2 . . . . . . . . 4959 1 384 . 1 1 43 43 LEU HD12 H 1 0.969 0.03 . 2 . . . . . . . . 4959 1 385 . 1 1 43 43 LEU HD13 H 1 0.969 0.03 . 2 . . . . . . . . 4959 1 386 . 1 1 43 43 LEU CD2 C 13 20.751 0.3 . 2 . . . . . . . . 4959 1 387 . 1 1 43 43 LEU HD21 H 1 0.980 0.03 . 2 . . . . . . . . 4959 1 388 . 1 1 43 43 LEU HD22 H 1 0.980 0.03 . 2 . . . . . . . . 4959 1 389 . 1 1 43 43 LEU HD23 H 1 0.980 0.03 . 2 . . . . . . . . 4959 1 390 . 1 1 43 43 LEU C C 13 176.709 0.3 . 1 . . . . . . . . 4959 1 391 . 1 1 44 44 MET N N 15 117.237 0.2 . 1 . . . . . . . . 4959 1 392 . 1 1 44 44 MET H H 1 7.831 0.03 . 1 . . . . . . . . 4959 1 393 . 1 1 44 44 MET CA C 13 59.174 0.3 . 1 . . . . . . . . 4959 1 394 . 1 1 44 44 MET HA H 1 3.530 0.03 . 1 . . . . . . . . 4959 1 395 . 1 1 44 44 MET CB C 13 29.779 0.3 . 1 . . . . . . . . 4959 1 396 . 1 1 44 44 MET HB2 H 1 1.052 0.03 . 2 . . . . . . . . 4959 1 397 . 1 1 44 44 MET HB3 H 1 1.413 0.03 . 2 . . . . . . . . 4959 1 398 . 1 1 44 44 MET CE C 13 14.259 0.3 . 1 . . . . . . . . 4959 1 399 . 1 1 44 44 MET HE1 H 1 1.596 0.03 . 1 . . . . . . . . 4959 1 400 . 1 1 44 44 MET HE2 H 1 1.596 0.03 . 1 . . . . . . . . 4959 1 401 . 1 1 44 44 MET HE3 H 1 1.596 0.03 . 1 . . . . . . . . 4959 1 402 . 1 1 44 44 MET C C 13 175.312 0.3 . 1 . . . . . . . . 4959 1 403 . 1 1 45 45 SER N N 15 115.377 0.2 . 1 . . . . . . . . 4959 1 404 . 1 1 45 45 SER H H 1 8.077 0.03 . 1 . . . . . . . . 4959 1 405 . 1 1 45 45 SER CA C 13 59.565 0.3 . 1 . . . . . . . . 4959 1 406 . 1 1 45 45 SER HA H 1 4.398 0.03 . 1 . . . . . . . . 4959 1 407 . 1 1 45 45 SER CB C 13 60.826 0.3 . 1 . . . . . . . . 4959 1 408 . 1 1 45 45 SER HB2 H 1 4.090 0.03 . 1 . . . . . . . . 4959 1 409 . 1 1 45 45 SER HB3 H 1 4.090 0.03 . 1 . . . . . . . . 4959 1 410 . 1 1 45 45 SER C C 13 174.413 0.3 . 1 . . . . . . . . 4959 1 411 . 1 1 46 46 GLU N N 15 123.021 0.2 . 1 . . . . . . . . 4959 1 412 . 1 1 46 46 GLU H H 1 7.729 0.03 . 1 . . . . . . . . 4959 1 413 . 1 1 46 46 GLU CA C 13 57.174 0.3 . 1 . . . . . . . . 4959 1 414 . 1 1 46 46 GLU HA H 1 4.130 0.03 . 1 . . . . . . . . 4959 1 415 . 1 1 46 46 GLU CB C 13 27.692 0.3 . 1 . . . . . . . . 4959 1 416 . 1 1 46 46 GLU HB2 H 1 1.979 0.03 . 2 . . . . . . . . 4959 1 417 . 1 1 46 46 GLU HB3 H 1 1.939 0.03 . 2 . . . . . . . . 4959 1 418 . 1 1 46 46 GLU CG C 13 34.021 0.3 . 1 . . . . . . . . 4959 1 419 . 1 1 46 46 GLU HG2 H 1 2.293 0.03 . 2 . . . . . . . . 4959 1 420 . 1 1 46 46 GLU C C 13 172.957 0.3 . 1 . . . . . . . . 4959 1 421 . 1 1 47 47 ILE N N 15 120.636 0.2 . 1 . . . . . . . . 4959 1 422 . 1 1 47 47 ILE H H 1 7.961 0.03 . 1 . . . . . . . . 4959 1 423 . 1 1 47 47 ILE CA C 13 63.432 0.3 . 1 . . . . . . . . 4959 1 424 . 1 1 47 47 ILE HA H 1 3.527 0.03 . 1 . . . . . . . . 4959 1 425 . 1 1 47 47 ILE CB C 13 35.397 0.3 . 1 . . . . . . . . 4959 1 426 . 1 1 47 47 ILE HB H 1 1.917 0.03 . 1 . . . . . . . . 4959 1 427 . 1 1 47 47 ILE CG1 C 13 28.197 0.3 . 1 . . . . . . . . 4959 1 428 . 1 1 47 47 ILE HG12 H 1 1.981 0.03 . 2 . . . . . . . . 4959 1 429 . 1 1 47 47 ILE HG13 H 1 2.032 0.03 . 2 . . . . . . . . 4959 1 430 . 1 1 47 47 ILE CG2 C 13 17.369 0.3 . 1 . . . . . . . . 4959 1 431 . 1 1 47 47 ILE HG21 H 1 0.879 0.03 . 1 . . . . . . . . 4959 1 432 . 1 1 47 47 ILE HG22 H 1 0.879 0.03 . 1 . . . . . . . . 4959 1 433 . 1 1 47 47 ILE HG23 H 1 0.879 0.03 . 1 . . . . . . . . 4959 1 434 . 1 1 47 47 ILE CD1 C 13 12.685 0.3 . 1 . . . . . . . . 4959 1 435 . 1 1 47 47 ILE HD11 H 1 0.611 0.03 . 1 . . . . . . . . 4959 1 436 . 1 1 47 47 ILE HD12 H 1 0.611 0.03 . 1 . . . . . . . . 4959 1 437 . 1 1 47 47 ILE HD13 H 1 0.611 0.03 . 1 . . . . . . . . 4959 1 438 . 1 1 47 47 ILE C C 13 175.215 0.3 . 1 . . . . . . . . 4959 1 439 . 1 1 48 48 ALA N N 15 123.253 0.2 . 1 . . . . . . . . 4959 1 440 . 1 1 48 48 ALA H H 1 8.504 0.03 . 1 . . . . . . . . 4959 1 441 . 1 1 48 48 ALA CA C 13 53.934 0.3 . 1 . . . . . . . . 4959 1 442 . 1 1 48 48 ALA HA H 1 3.979 0.03 . 1 . . . . . . . . 4959 1 443 . 1 1 48 48 ALA CB C 13 15.809 0.3 . 1 . . . . . . . . 4959 1 444 . 1 1 48 48 ALA HB1 H 1 1.617 0.03 . 1 . . . . . . . . 4959 1 445 . 1 1 48 48 ALA HB2 H 1 1.617 0.03 . 1 . . . . . . . . 4959 1 446 . 1 1 48 48 ALA HB3 H 1 1.617 0.03 . 1 . . . . . . . . 4959 1 447 . 1 1 48 48 ALA C C 13 179.127 0.3 . 1 . . . . . . . . 4959 1 448 . 1 1 49 49 ASP N N 15 121.608 0.2 . 1 . . . . . . . . 4959 1 449 . 1 1 49 49 ASP H H 1 8.232 0.03 . 1 . . . . . . . . 4959 1 450 . 1 1 49 49 ASP CA C 13 55.782 0.3 . 1 . . . . . . . . 4959 1 451 . 1 1 49 49 ASP HA H 1 4.707 0.03 . 1 . . . . . . . . 4959 1 452 . 1 1 49 49 ASP CB C 13 38.215 0.3 . 1 . . . . . . . . 4959 1 453 . 1 1 49 49 ASP HB2 H 1 2.758 0.03 . 2 . . . . . . . . 4959 1 454 . 1 1 49 49 ASP HB3 H 1 2.919 0.03 . 2 . . . . . . . . 4959 1 455 . 1 1 49 49 ASP C C 13 177.472 0.3 . 1 . . . . . . . . 4959 1 456 . 1 1 50 50 LEU N N 15 121.408 0.2 . 1 . . . . . . . . 4959 1 457 . 1 1 50 50 LEU H H 1 7.688 0.03 . 1 . . . . . . . . 4959 1 458 . 1 1 50 50 LEU CA C 13 55.008 0.3 . 1 . . . . . . . . 4959 1 459 . 1 1 50 50 LEU HA H 1 4.294 0.03 . 1 . . . . . . . . 4959 1 460 . 1 1 50 50 LEU CB C 13 40.911 0.3 . 1 . . . . . . . . 4959 1 461 . 1 1 50 50 LEU HB2 H 1 1.395 0.03 . 2 . . . . . . . . 4959 1 462 . 1 1 50 50 LEU HB3 H 1 1.427 0.03 . 2 . . . . . . . . 4959 1 463 . 1 1 50 50 LEU CG C 13 24.875 0.3 . 1 . . . . . . . . 4959 1 464 . 1 1 50 50 LEU HG H 1 1.960 0.03 . 1 . . . . . . . . 4959 1 465 . 1 1 50 50 LEU CD1 C 13 22.837 0.3 . 2 . . . . . . . . 4959 1 466 . 1 1 50 50 LEU HD11 H 1 0.811 0.03 . 2 . . . . . . . . 4959 1 467 . 1 1 50 50 LEU HD12 H 1 0.811 0.03 . 2 . . . . . . . . 4959 1 468 . 1 1 50 50 LEU HD13 H 1 0.811 0.03 . 2 . . . . . . . . 4959 1 469 . 1 1 50 50 LEU CD2 C 13 20.276 0.3 . 2 . . . . . . . . 4959 1 470 . 1 1 50 50 LEU HD21 H 1 0.924 0.03 . 2 . . . . . . . . 4959 1 471 . 1 1 50 50 LEU HD22 H 1 0.924 0.03 . 2 . . . . . . . . 4959 1 472 . 1 1 50 50 LEU HD23 H 1 0.924 0.03 . 2 . . . . . . . . 4959 1 473 . 1 1 50 50 LEU C C 13 176.518 0.3 . 1 . . . . . . . . 4959 1 474 . 1 1 51 51 THR N N 15 108.759 0.2 . 1 . . . . . . . . 4959 1 475 . 1 1 51 51 THR H H 1 7.827 0.03 . 1 . . . . . . . . 4959 1 476 . 1 1 51 51 THR CA C 13 63.074 0.3 . 1 . . . . . . . . 4959 1 477 . 1 1 51 51 THR HA H 1 3.995 0.03 . 1 . . . . . . . . 4959 1 478 . 1 1 51 51 THR CB C 13 67.871 0.3 . 1 . . . . . . . . 4959 1 479 . 1 1 51 51 THR HB H 1 4.317 0.03 . 1 . . . . . . . . 4959 1 480 . 1 1 51 51 THR CG2 C 13 21.515 0.3 . 1 . . . . . . . . 4959 1 481 . 1 1 51 51 THR HG21 H 1 1.507 0.03 . 1 . . . . . . . . 4959 1 482 . 1 1 51 51 THR HG22 H 1 1.507 0.03 . 1 . . . . . . . . 4959 1 483 . 1 1 51 51 THR HG23 H 1 1.507 0.03 . 1 . . . . . . . . 4959 1 484 . 1 1 51 51 THR C C 13 171.966 0.3 . 1 . . . . . . . . 4959 1 485 . 1 1 52 52 TYR N N 15 118.522 0.2 . 1 . . . . . . . . 4959 1 486 . 1 1 52 52 TYR H H 1 7.225 0.03 . 1 . . . . . . . . 4959 1 487 . 1 1 52 52 TYR CA C 13 58.033 0.3 . 1 . . . . . . . . 4959 1 488 . 1 1 52 52 TYR HA H 1 4.226 0.03 . 1 . . . . . . . . 4959 1 489 . 1 1 52 52 TYR CB C 13 35.780 0.3 . 1 . . . . . . . . 4959 1 490 . 1 1 52 52 TYR HB2 H 1 3.349 0.03 . 2 . . . . . . . . 4959 1 491 . 1 1 52 52 TYR HB3 H 1 2.888 0.03 . 2 . . . . . . . . 4959 1 492 . 1 1 52 52 TYR CD1 C 13 131.624 0.3 . 1 . . . . . . . . 4959 1 493 . 1 1 52 52 TYR HD1 H 1 7.485 0.03 . 1 . . . . . . . . 4959 1 494 . 1 1 52 52 TYR CD2 C 13 131.624 0.3 . 1 . . . . . . . . 4959 1 495 . 1 1 52 52 TYR HD2 H 1 7.485 0.03 . 1 . . . . . . . . 4959 1 496 . 1 1 52 52 TYR CE1 C 13 115.723 0.3 . 1 . . . . . . . . 4959 1 497 . 1 1 52 52 TYR HE1 H 1 6.899 0.03 . 1 . . . . . . . . 4959 1 498 . 1 1 52 52 TYR CE2 C 13 115.723 0.3 . 1 . . . . . . . . 4959 1 499 . 1 1 52 52 TYR HE2 H 1 6.899 0.03 . 1 . . . . . . . . 4959 1 500 . 1 1 52 52 TYR C C 13 172.696 0.3 . 1 . . . . . . . . 4959 1 501 . 1 1 53 53 ASN N N 15 123.670 0.2 . 1 . . . . . . . . 4959 1 502 . 1 1 53 53 ASN H H 1 7.938 0.03 . 1 . . . . . . . . 4959 1 503 . 1 1 53 53 ASN CA C 13 50.240 0.3 . 1 . . . . . . . . 4959 1 504 . 1 1 53 53 ASN HA H 1 5.011 0.03 . 1 . . . . . . . . 4959 1 505 . 1 1 53 53 ASN CB C 13 38.128 0.3 . 1 . . . . . . . . 4959 1 506 . 1 1 53 53 ASN HB2 H 1 3.294 0.03 . 2 . . . . . . . . 4959 1 507 . 1 1 53 53 ASN HB3 H 1 2.912 0.03 . 2 . . . . . . . . 4959 1 508 . 1 1 53 53 ASN C C 13 172.775 0.3 . 1 . . . . . . . . 4959 1 509 . 1 1 54 54 VAL N N 15 125.659 0.2 . 1 . . . . . . . . 4959 1 510 . 1 1 54 54 VAL H H 1 8.720 0.03 . 1 . . . . . . . . 4959 1 511 . 1 1 54 54 VAL CA C 13 64.162 0.3 . 1 . . . . . . . . 4959 1 512 . 1 1 54 54 VAL HA H 1 3.838 0.03 . 1 . . . . . . . . 4959 1 513 . 1 1 54 54 VAL CB C 13 29.662 0.3 . 1 . . . . . . . . 4959 1 514 . 1 1 54 54 VAL HB H 1 2.194 0.03 . 1 . . . . . . . . 4959 1 515 . 1 1 54 54 VAL CG1 C 13 18.902 0.3 . 2 . . . . . . . . 4959 1 516 . 1 1 54 54 VAL HG11 H 1 1.073 0.03 . 2 . . . . . . . . 4959 1 517 . 1 1 54 54 VAL HG12 H 1 1.073 0.03 . 2 . . . . . . . . 4959 1 518 . 1 1 54 54 VAL HG13 H 1 1.073 0.03 . 2 . . . . . . . . 4959 1 519 . 1 1 54 54 VAL CG2 C 13 18.791 0.3 . 2 . . . . . . . . 4959 1 520 . 1 1 54 54 VAL HG21 H 1 1.058 0.03 . 2 . . . . . . . . 4959 1 521 . 1 1 54 54 VAL HG22 H 1 1.058 0.03 . 2 . . . . . . . . 4959 1 522 . 1 1 54 54 VAL HG23 H 1 1.058 0.03 . 2 . . . . . . . . 4959 1 523 . 1 1 54 54 VAL C C 13 175.312 0.3 . 1 . . . . . . . . 4959 1 524 . 1 1 55 55 VAL N N 15 123.550 0.2 . 1 . . . . . . . . 4959 1 525 . 1 1 55 55 VAL H H 1 7.728 0.03 . 1 . . . . . . . . 4959 1 526 . 1 1 55 55 VAL CA C 13 63.790 0.3 . 1 . . . . . . . . 4959 1 527 . 1 1 55 55 VAL HA H 1 3.853 0.03 . 1 . . . . . . . . 4959 1 528 . 1 1 55 55 VAL CB C 13 29.692 0.3 . 1 . . . . . . . . 4959 1 529 . 1 1 55 55 VAL HB H 1 2.169 0.03 . 1 . . . . . . . . 4959 1 530 . 1 1 55 55 VAL CG1 C 13 18.737 0.3 . 2 . . . . . . . . 4959 1 531 . 1 1 55 55 VAL HG11 H 1 0.948 0.03 . 2 . . . . . . . . 4959 1 532 . 1 1 55 55 VAL HG12 H 1 0.948 0.03 . 2 . . . . . . . . 4959 1 533 . 1 1 55 55 VAL HG13 H 1 0.948 0.03 . 2 . . . . . . . . 4959 1 534 . 1 1 55 55 VAL CG2 C 13 20.276 0.3 . 2 . . . . . . . . 4959 1 535 . 1 1 55 55 VAL HG21 H 1 1.066 0.03 . 2 . . . . . . . . 4959 1 536 . 1 1 55 55 VAL HG22 H 1 1.066 0.03 . 2 . . . . . . . . 4959 1 537 . 1 1 55 55 VAL HG23 H 1 1.066 0.03 . 2 . . . . . . . . 4959 1 538 . 1 1 55 55 VAL C C 13 176.176 0.3 . 1 . . . . . . . . 4959 1 539 . 1 1 56 56 ALA N N 15 124.245 0.2 . 1 . . . . . . . . 4959 1 540 . 1 1 56 56 ALA H H 1 8.050 0.03 . 1 . . . . . . . . 4959 1 541 . 1 1 56 56 ALA CA C 13 52.438 0.3 . 1 . . . . . . . . 4959 1 542 . 1 1 56 56 ALA HA H 1 4.084 0.03 . 1 . . . . . . . . 4959 1 543 . 1 1 56 56 ALA CB C 13 16.175 0.3 . 1 . . . . . . . . 4959 1 544 . 1 1 56 56 ALA HB1 H 1 1.564 0.03 . 1 . . . . . . . . 4959 1 545 . 1 1 56 56 ALA HB2 H 1 1.564 0.03 . 1 . . . . . . . . 4959 1 546 . 1 1 56 56 ALA HB3 H 1 1.564 0.03 . 1 . . . . . . . . 4959 1 547 . 1 1 56 56 ALA C C 13 177.256 0.3 . 1 . . . . . . . . 4959 1 548 . 1 1 57 57 PHE N N 15 118.336 0.2 . 1 . . . . . . . . 4959 1 549 . 1 1 57 57 PHE H H 1 9.168 0.03 . 1 . . . . . . . . 4959 1 550 . 1 1 57 57 PHE CA C 13 60.505 0.3 . 1 . . . . . . . . 4959 1 551 . 1 1 57 57 PHE HA H 1 3.735 0.03 . 1 . . . . . . . . 4959 1 552 . 1 1 57 57 PHE CB C 13 36.472 0.3 . 1 . . . . . . . . 4959 1 553 . 1 1 57 57 PHE HB2 H 1 3.561 0.03 . 2 . . . . . . . . 4959 1 554 . 1 1 57 57 PHE HB3 H 1 3.044 0.03 . 2 . . . . . . . . 4959 1 555 . 1 1 57 57 PHE CD1 C 13 128.958 0.3 . 1 . . . . . . . . 4959 1 556 . 1 1 57 57 PHE HD1 H 1 7.158 0.03 . 1 . . . . . . . . 4959 1 557 . 1 1 57 57 PHE CD2 C 13 128.958 0.3 . 1 . . . . . . . . 4959 1 558 . 1 1 57 57 PHE HD2 H 1 7.158 0.03 . 1 . . . . . . . . 4959 1 559 . 1 1 57 57 PHE CE1 C 13 128.999 0.3 . 1 . . . . . . . . 4959 1 560 . 1 1 57 57 PHE HE1 H 1 7.146 0.03 . 1 . . . . . . . . 4959 1 561 . 1 1 57 57 PHE CE2 C 13 128.999 0.3 . 1 . . . . . . . . 4959 1 562 . 1 1 57 57 PHE HE2 H 1 7.146 0.03 . 1 . . . . . . . . 4959 1 563 . 1 1 57 57 PHE C C 13 173.981 0.3 . 1 . . . . . . . . 4959 1 564 . 1 1 58 58 SER N N 15 114.303 0.2 . 1 . . . . . . . . 4959 1 565 . 1 1 58 58 SER H H 1 7.392 0.03 . 1 . . . . . . . . 4959 1 566 . 1 1 58 58 SER CA C 13 59.431 0.3 . 1 . . . . . . . . 4959 1 567 . 1 1 58 58 SER HA H 1 3.984 0.03 . 1 . . . . . . . . 4959 1 568 . 1 1 58 58 SER CB C 13 60.826 0.3 . 1 . . . . . . . . 4959 1 569 . 1 1 58 58 SER HB2 H 1 4.108 0.03 . 1 . . . . . . . . 4959 1 570 . 1 1 58 58 SER HB3 H 1 4.108 0.03 . 1 . . . . . . . . 4959 1 571 . 1 1 58 58 SER C C 13 174.952 0.3 . 1 . . . . . . . . 4959 1 572 . 1 1 59 59 GLU N N 15 123.933 0.2 . 1 . . . . . . . . 4959 1 573 . 1 1 59 59 GLU H H 1 7.444 0.03 . 1 . . . . . . . . 4959 1 574 . 1 1 59 59 GLU CA C 13 56.601 0.3 . 1 . . . . . . . . 4959 1 575 . 1 1 59 59 GLU HA H 1 4.060 0.03 . 1 . . . . . . . . 4959 1 576 . 1 1 59 59 GLU CB C 13 27.928 0.3 . 1 . . . . . . . . 4959 1 577 . 1 1 59 59 GLU HB2 H 1 2.259 0.03 . 2 . . . . . . . . 4959 1 578 . 1 1 59 59 GLU HB3 H 1 2.508 0.03 . 2 . . . . . . . . 4959 1 579 . 1 1 59 59 GLU CG C 13 33.750 0.3 . 1 . . . . . . . . 4959 1 580 . 1 1 59 59 GLU HG2 H 1 2.537 0.03 . 2 . . . . . . . . 4959 1 581 . 1 1 59 59 GLU HG3 H 1 2.218 0.03 . 2 . . . . . . . . 4959 1 582 . 1 1 59 59 GLU C C 13 177.375 0.3 . 1 . . . . . . . . 4959 1 583 . 1 1 60 60 ILE N N 15 121.864 0.2 . 1 . . . . . . . . 4959 1 584 . 1 1 60 60 ILE H H 1 8.745 0.03 . 1 . . . . . . . . 4959 1 585 . 1 1 60 60 ILE CA C 13 62.814 0.3 . 1 . . . . . . . . 4959 1 586 . 1 1 60 60 ILE HA H 1 3.284 0.03 . 1 . . . . . . . . 4959 1 587 . 1 1 60 60 ILE CB C 13 36.320 0.3 . 1 . . . . . . . . 4959 1 588 . 1 1 60 60 ILE HB H 1 1.635 0.03 . 1 . . . . . . . . 4959 1 589 . 1 1 60 60 ILE CG1 C 13 26.925 0.3 . 1 . . . . . . . . 4959 1 590 . 1 1 60 60 ILE HG12 H 1 1.674 0.03 . 2 . . . . . . . . 4959 1 591 . 1 1 60 60 ILE HG13 H 1 1.703 0.03 . 2 . . . . . . . . 4959 1 592 . 1 1 60 60 ILE CG2 C 13 13.606 0.3 . 1 . . . . . . . . 4959 1 593 . 1 1 60 60 ILE HG21 H 1 0.482 0.03 . 1 . . . . . . . . 4959 1 594 . 1 1 60 60 ILE HG22 H 1 0.482 0.03 . 1 . . . . . . . . 4959 1 595 . 1 1 60 60 ILE HG23 H 1 0.482 0.03 . 1 . . . . . . . . 4959 1 596 . 1 1 60 60 ILE CD1 C 13 13.108 0.3 . 1 . . . . . . . . 4959 1 597 . 1 1 60 60 ILE HD11 H 1 0.696 0.03 . 1 . . . . . . . . 4959 1 598 . 1 1 60 60 ILE HD12 H 1 0.696 0.03 . 1 . . . . . . . . 4959 1 599 . 1 1 60 60 ILE HD13 H 1 0.696 0.03 . 1 . . . . . . . . 4959 1 600 . 1 1 60 60 ILE C C 13 175.024 0.3 . 1 . . . . . . . . 4959 1 601 . 1 1 61 61 MET N N 15 116.278 0.2 . 1 . . . . . . . . 4959 1 602 . 1 1 61 61 MET H H 1 7.952 0.03 . 1 . . . . . . . . 4959 1 603 . 1 1 61 61 MET CA C 13 53.576 0.3 . 1 . . . . . . . . 4959 1 604 . 1 1 61 61 MET HA H 1 3.928 0.03 . 1 . . . . . . . . 4959 1 605 . 1 1 61 61 MET CB C 13 25.952 0.3 . 1 . . . . . . . . 4959 1 606 . 1 1 61 61 MET HB2 H 1 1.925 0.03 . 2 . . . . . . . . 4959 1 607 . 1 1 61 61 MET HB3 H 1 1.617 0.03 . 2 . . . . . . . . 4959 1 608 . 1 1 61 61 MET CG C 13 28.680 0.3 . 1 . . . . . . . . 4959 1 609 . 1 1 61 61 MET HG2 H 1 1.948 0.03 . 2 . . . . . . . . 4959 1 610 . 1 1 61 61 MET HG3 H 1 1.988 0.03 . 2 . . . . . . . . 4959 1 611 . 1 1 61 61 MET CE C 13 12.875 0.3 . 1 . . . . . . . . 4959 1 612 . 1 1 61 61 MET HE1 H 1 1.627 0.03 . 1 . . . . . . . . 4959 1 613 . 1 1 61 61 MET HE2 H 1 1.627 0.03 . 1 . . . . . . . . 4959 1 614 . 1 1 61 61 MET HE3 H 1 1.627 0.03 . 1 . . . . . . . . 4959 1 615 . 1 1 61 61 MET C C 13 175.690 0.3 . 1 . . . . . . . . 4959 1 616 . 1 1 62 62 SER N N 15 113.072 0.2 . 1 . . . . . . . . 4959 1 617 . 1 1 62 62 SER H H 1 7.780 0.03 . 1 . . . . . . . . 4959 1 618 . 1 1 62 62 SER CA C 13 59.789 0.3 . 1 . . . . . . . . 4959 1 619 . 1 1 62 62 SER HA H 1 4.315 0.03 . 1 . . . . . . . . 4959 1 620 . 1 1 62 62 SER CB C 13 60.652 0.3 . 1 . . . . . . . . 4959 1 621 . 1 1 62 62 SER HB2 H 1 3.947 0.03 . 1 . . . . . . . . 4959 1 622 . 1 1 62 62 SER HB3 H 1 3.947 0.03 . 1 . . . . . . . . 4959 1 623 . 1 1 62 62 SER C C 13 175.168 0.3 . 1 . . . . . . . . 4959 1 624 . 1 1 63 63 MET N N 15 120.620 0.2 . 1 . . . . . . . . 4959 1 625 . 1 1 63 63 MET H H 1 7.482 0.03 . 1 . . . . . . . . 4959 1 626 . 1 1 63 63 MET CA C 13 54.260 0.3 . 1 . . . . . . . . 4959 1 627 . 1 1 63 63 MET HA H 1 4.518 0.03 . 1 . . . . . . . . 4959 1 628 . 1 1 63 63 MET CB C 13 28.996 0.3 . 1 . . . . . . . . 4959 1 629 . 1 1 63 63 MET HB2 H 1 1.905 0.03 . 2 . . . . . . . . 4959 1 630 . 1 1 63 63 MET HB3 H 1 2.164 0.03 . 2 . . . . . . . . 4959 1 631 . 1 1 63 63 MET CG C 13 30.952 0.3 . 1 . . . . . . . . 4959 1 632 . 1 1 63 63 MET HG2 H 1 2.398 0.03 . 2 . . . . . . . . 4959 1 633 . 1 1 63 63 MET CE C 13 14.779 0.3 . 1 . . . . . . . . 4959 1 634 . 1 1 63 63 MET HE1 H 1 1.898 0.03 . 1 . . . . . . . . 4959 1 635 . 1 1 63 63 MET HE2 H 1 1.898 0.03 . 1 . . . . . . . . 4959 1 636 . 1 1 63 63 MET HE3 H 1 1.898 0.03 . 1 . . . . . . . . 4959 1 637 . 1 1 63 63 MET C C 13 175.600 0.3 . 1 . . . . . . . . 4959 1 638 . 1 1 64 64 ILE N N 15 122.519 0.2 . 1 . . . . . . . . 4959 1 639 . 1 1 64 64 ILE H H 1 8.025 0.03 . 1 . . . . . . . . 4959 1 640 . 1 1 64 64 ILE CA C 13 64.870 0.3 . 1 . . . . . . . . 4959 1 641 . 1 1 64 64 ILE HA H 1 3.161 0.03 . 1 . . . . . . . . 4959 1 642 . 1 1 64 64 ILE CB C 13 34.736 0.3 . 1 . . . . . . . . 4959 1 643 . 1 1 64 64 ILE HB H 1 1.474 0.03 . 1 . . . . . . . . 4959 1 644 . 1 1 64 64 ILE CG1 C 13 28.543 0.3 . 1 . . . . . . . . 4959 1 645 . 1 1 64 64 ILE HG12 H 1 0.431 0.03 . 2 . . . . . . . . 4959 1 646 . 1 1 64 64 ILE HG13 H 1 1.761 0.03 . 2 . . . . . . . . 4959 1 647 . 1 1 64 64 ILE CG2 C 13 14.487 0.3 . 1 . . . . . . . . 4959 1 648 . 1 1 64 64 ILE HG21 H 1 0.201 0.03 . 1 . . . . . . . . 4959 1 649 . 1 1 64 64 ILE HG22 H 1 0.201 0.03 . 1 . . . . . . . . 4959 1 650 . 1 1 64 64 ILE HG23 H 1 0.201 0.03 . 1 . . . . . . . . 4959 1 651 . 1 1 64 64 ILE CD1 C 13 11.647 0.3 . 1 . . . . . . . . 4959 1 652 . 1 1 64 64 ILE HD11 H 1 0.442 0.03 . 1 . . . . . . . . 4959 1 653 . 1 1 64 64 ILE HD12 H 1 0.442 0.03 . 1 . . . . . . . . 4959 1 654 . 1 1 64 64 ILE HD13 H 1 0.442 0.03 . 1 . . . . . . . . 4959 1 655 . 1 1 64 64 ILE C C 13 179.127 0.3 . 1 . . . . . . . . 4959 1 656 . 1 1 65 65 TRP N N 15 118.637 0.2 . 1 . . . . . . . . 4959 1 657 . 1 1 65 65 TRP H H 1 8.215 0.03 . 1 . . . . . . . . 4959 1 658 . 1 1 65 65 TRP CA C 13 57.652 0.3 . 1 . . . . . . . . 4959 1 659 . 1 1 65 65 TRP HA H 1 4.567 0.03 . 1 . . . . . . . . 4959 1 660 . 1 1 65 65 TRP CB C 13 27.170 0.3 . 1 . . . . . . . . 4959 1 661 . 1 1 65 65 TRP HB2 H 1 3.335 0.03 . 2 . . . . . . . . 4959 1 662 . 1 1 65 65 TRP HB3 H 1 3.177 0.03 . 2 . . . . . . . . 4959 1 663 . 1 1 65 65 TRP CD1 C 13 128.268 0.3 . 1 . . . . . . . . 4959 1 664 . 1 1 65 65 TRP HD1 H 1 7.108 0.03 . 1 . . . . . . . . 4959 1 665 . 1 1 65 65 TRP NE1 N 15 129.586 0.2 . 1 . . . . . . . . 4959 1 666 . 1 1 65 65 TRP HE1 H 1 10.345 0.03 . 1 . . . . . . . . 4959 1 667 . 1 1 65 65 TRP CE3 C 13 119.373 0.3 . 1 . . . . . . . . 4959 1 668 . 1 1 65 65 TRP HE3 H 1 7.621 0.03 . 1 . . . . . . . . 4959 1 669 . 1 1 65 65 TRP CZ2 C 13 111.347 0.3 . 1 . . . . . . . . 4959 1 670 . 1 1 65 65 TRP HZ2 H 1 7.138 0.03 . 1 . . . . . . . . 4959 1 671 . 1 1 65 65 TRP CZ3 C 13 119.294 0.3 . 1 . . . . . . . . 4959 1 672 . 1 1 65 65 TRP HZ3 H 1 6.706 0.03 . 1 . . . . . . . . 4959 1 673 . 1 1 65 65 TRP CH2 C 13 121.776 0.3 . 1 . . . . . . . . 4959 1 674 . 1 1 65 65 TRP HH2 H 1 7.001 0.03 . 1 . . . . . . . . 4959 1 675 . 1 1 65 65 TRP C C 13 177.274 0.3 . 1 . . . . . . . . 4959 1 676 . 1 1 66 66 LYS N N 15 119.586 0.2 . 1 . . . . . . . . 4959 1 677 . 1 1 66 66 LYS H H 1 7.688 0.03 . 1 . . . . . . . . 4959 1 678 . 1 1 66 66 LYS CA C 13 57.739 0.3 . 1 . . . . . . . . 4959 1 679 . 1 1 66 66 LYS HA H 1 4.115 0.03 . 1 . . . . . . . . 4959 1 680 . 1 1 66 66 LYS CB C 13 30.127 0.3 . 1 . . . . . . . . 4959 1 681 . 1 1 66 66 LYS HB2 H 1 1.977 0.03 . 1 . . . . . . . . 4959 1 682 . 1 1 66 66 LYS HB3 H 1 1.977 0.03 . 1 . . . . . . . . 4959 1 683 . 1 1 66 66 LYS CG C 13 23.266 0.3 . 1 . . . . . . . . 4959 1 684 . 1 1 66 66 LYS HG2 H 1 1.464 0.03 . 2 . . . . . . . . 4959 1 685 . 1 1 66 66 LYS HG3 H 1 1.635 0.03 . 2 . . . . . . . . 4959 1 686 . 1 1 66 66 LYS CD C 13 27.327 0.3 . 1 . . . . . . . . 4959 1 687 . 1 1 66 66 LYS HD2 H 1 1.724 0.03 . 2 . . . . . . . . 4959 1 688 . 1 1 66 66 LYS HD3 H 1 1.674 0.03 . 2 . . . . . . . . 4959 1 689 . 1 1 66 66 LYS CE C 13 39.904 0.3 . 1 . . . . . . . . 4959 1 690 . 1 1 66 66 LYS HE2 H 1 2.992 0.03 . 2 . . . . . . . . 4959 1 691 . 1 1 66 66 LYS C C 13 178.155 0.3 . 1 . . . . . . . . 4959 1 692 . 1 1 67 67 ARG N N 15 121.739 0.2 . 1 . . . . . . . . 4959 1 693 . 1 1 67 67 ARG H H 1 8.047 0.03 . 1 . . . . . . . . 4959 1 694 . 1 1 67 67 ARG CA C 13 55.651 0.3 . 1 . . . . . . . . 4959 1 695 . 1 1 67 67 ARG HA H 1 3.958 0.03 . 1 . . . . . . . . 4959 1 696 . 1 1 67 67 ARG CB C 13 28.214 0.3 . 1 . . . . . . . . 4959 1 697 . 1 1 67 67 ARG HB2 H 1 1.628 0.03 . 2 . . . . . . . . 4959 1 698 . 1 1 67 67 ARG CG C 13 25.355 0.3 . 1 . . . . . . . . 4959 1 699 . 1 1 67 67 ARG HG2 H 1 1.431 0.03 . 2 . . . . . . . . 4959 1 700 . 1 1 67 67 ARG C C 13 175.330 0.3 . 1 . . . . . . . . 4959 1 701 . 1 1 68 68 LEU N N 15 116.825 0.2 . 1 . . . . . . . . 4959 1 702 . 1 1 68 68 LEU H H 1 7.932 0.03 . 1 . . . . . . . . 4959 1 703 . 1 1 68 68 LEU CA C 13 54.564 0.3 . 1 . . . . . . . . 4959 1 704 . 1 1 68 68 LEU HA H 1 4.071 0.03 . 1 . . . . . . . . 4959 1 705 . 1 1 68 68 LEU CB C 13 39.898 0.3 . 1 . . . . . . . . 4959 1 706 . 1 1 68 68 LEU HB2 H 1 1.797 0.03 . 2 . . . . . . . . 4959 1 707 . 1 1 68 68 LEU HB3 H 1 1.834 0.03 . 2 . . . . . . . . 4959 1 708 . 1 1 68 68 LEU CG C 13 24.385 0.3 . 1 . . . . . . . . 4959 1 709 . 1 1 68 68 LEU HG H 1 1.907 0.03 . 1 . . . . . . . . 4959 1 710 . 1 1 68 68 LEU CD1 C 13 24.192 0.3 . 2 . . . . . . . . 4959 1 711 . 1 1 68 68 LEU HD11 H 1 0.683 0.03 . 2 . . . . . . . . 4959 1 712 . 1 1 68 68 LEU HD12 H 1 0.683 0.03 . 2 . . . . . . . . 4959 1 713 . 1 1 68 68 LEU HD13 H 1 0.683 0.03 . 2 . . . . . . . . 4959 1 714 . 1 1 68 68 LEU CD2 C 13 23.615 0.3 . 2 . . . . . . . . 4959 1 715 . 1 1 68 68 LEU HD21 H 1 0.835 0.03 . 2 . . . . . . . . 4959 1 716 . 1 1 68 68 LEU HD22 H 1 0.835 0.03 . 2 . . . . . . . . 4959 1 717 . 1 1 68 68 LEU HD23 H 1 0.835 0.03 . 2 . . . . . . . . 4959 1 718 . 1 1 68 68 LEU C C 13 174.179 0.3 . 1 . . . . . . . . 4959 1 719 . 1 1 69 69 ASN N N 15 116.271 0.2 . 1 . . . . . . . . 4959 1 720 . 1 1 69 69 ASN H H 1 7.367 0.03 . 1 . . . . . . . . 4959 1 721 . 1 1 69 69 ASN CA C 13 50.433 0.3 . 1 . . . . . . . . 4959 1 722 . 1 1 69 69 ASN HA H 1 5.008 0.03 . 1 . . . . . . . . 4959 1 723 . 1 1 69 69 ASN CB C 13 37.556 0.3 . 1 . . . . . . . . 4959 1 724 . 1 1 69 69 ASN HB2 H 1 3.071 0.03 . 2 . . . . . . . . 4959 1 725 . 1 1 69 69 ASN HB3 H 1 2.795 0.03 . 2 . . . . . . . . 4959 1 726 . 1 1 69 69 ASN C C 13 172.685 0.3 . 1 . . . . . . . . 4959 1 727 . 1 1 70 70 ASP N N 15 121.921 0.2 . 1 . . . . . . . . 4959 1 728 . 1 1 70 70 ASP H H 1 7.178 0.03 . 1 . . . . . . . . 4959 1 729 . 1 1 70 70 ASP CA C 13 52.042 0.3 . 1 . . . . . . . . 4959 1 730 . 1 1 70 70 ASP HA H 1 4.860 0.03 . 1 . . . . . . . . 4959 1 731 . 1 1 70 70 ASP CB C 13 40.288 0.3 . 1 . . . . . . . . 4959 1 732 . 1 1 70 70 ASP HB2 H 1 2.912 0.03 . 2 . . . . . . . . 4959 1 733 . 1 1 70 70 ASP HB3 H 1 2.699 0.03 . 2 . . . . . . . . 4959 1 734 . 1 1 70 70 ASP C C 13 172.056 0.3 . 1 . . . . . . . . 4959 1 735 . 1 1 71 71 HIS N N 15 113.733 0.2 . 1 . . . . . . . . 4959 1 736 . 1 1 71 71 HIS H H 1 8.755 0.03 . 1 . . . . . . . . 4959 1 737 . 1 1 71 71 HIS CA C 13 52.825 0.3 . 1 . . . . . . . . 4959 1 738 . 1 1 71 71 HIS HA H 1 5.102 0.03 . 1 . . . . . . . . 4959 1 739 . 1 1 71 71 HIS CB C 13 30.465 0.3 . 1 . . . . . . . . 4959 1 740 . 1 1 71 71 HIS HB2 H 1 3.154 0.03 . 2 . . . . . . . . 4959 1 741 . 1 1 71 71 HIS HB3 H 1 3.373 0.03 . 2 . . . . . . . . 4959 1 742 . 1 1 71 71 HIS CD2 C 13 118.022 0.3 . 1 . . . . . . . . 4959 1 743 . 1 1 71 71 HIS HD2 H 1 7.265 0.03 . 1 . . . . . . . . 4959 1 744 . 1 1 71 71 HIS C C 13 173.405 0.3 . 1 . . . . . . . . 4959 1 745 . 1 1 72 72 GLY N N 15 110.926 0.2 . 1 . . . . . . . . 4959 1 746 . 1 1 72 72 GLY H H 1 8.843 0.03 . 1 . . . . . . . . 4959 1 747 . 1 1 72 72 GLY CA C 13 45.041 0.3 . 1 . . . . . . . . 4959 1 748 . 1 1 72 72 GLY HA2 H 1 3.841 0.03 . 2 . . . . . . . . 4959 1 749 . 1 1 72 72 GLY HA3 H 1 3.498 0.03 . 2 . . . . . . . . 4959 1 750 . 1 1 72 72 GLY C C 13 171.588 0.3 . 1 . . . . . . . . 4959 1 751 . 1 1 73 73 LYS N N 15 124.994 0.2 . 1 . . . . . . . . 4959 1 752 . 1 1 73 73 LYS H H 1 8.578 0.03 . 1 . . . . . . . . 4959 1 753 . 1 1 73 73 LYS CA C 13 55.999 0.3 . 1 . . . . . . . . 4959 1 754 . 1 1 73 73 LYS HA H 1 3.825 0.03 . 1 . . . . . . . . 4959 1 755 . 1 1 73 73 LYS CB C 13 29.619 0.3 . 1 . . . . . . . . 4959 1 756 . 1 1 73 73 LYS HB2 H 1 1.929 0.03 . 1 . . . . . . . . 4959 1 757 . 1 1 73 73 LYS HB3 H 1 1.929 0.03 . 1 . . . . . . . . 4959 1 758 . 1 1 73 73 LYS CG C 13 21.696 0.3 . 1 . . . . . . . . 4959 1 759 . 1 1 73 73 LYS HG2 H 1 1.563 0.03 . 2 . . . . . . . . 4959 1 760 . 1 1 73 73 LYS HG3 H 1 1.308 0.03 . 2 . . . . . . . . 4959 1 761 . 1 1 73 73 LYS CD C 13 27.348 0.3 . 1 . . . . . . . . 4959 1 762 . 1 1 73 73 LYS HD2 H 1 1.746 0.03 . 2 . . . . . . . . 4959 1 763 . 1 1 73 73 LYS HD3 H 1 1.776 0.03 . 2 . . . . . . . . 4959 1 764 . 1 1 73 73 LYS CE C 13 39.881 0.3 . 1 . . . . . . . . 4959 1 765 . 1 1 73 73 LYS HE2 H 1 3.068 0.03 . 1 . . . . . . . . 4959 1 766 . 1 1 73 73 LYS HE3 H 1 3.068 0.03 . 1 . . . . . . . . 4959 1 767 . 1 1 73 73 LYS C C 13 174.701 0.3 . 1 . . . . . . . . 4959 1 768 . 1 1 74 74 ASN N N 15 120.080 0.2 . 1 . . . . . . . . 4959 1 769 . 1 1 74 74 ASN H H 1 7.791 0.03 . 1 . . . . . . . . 4959 1 770 . 1 1 74 74 ASN CA C 13 50.694 0.3 . 1 . . . . . . . . 4959 1 771 . 1 1 74 74 ASN HA H 1 4.770 0.03 . 1 . . . . . . . . 4959 1 772 . 1 1 74 74 ASN CB C 13 35.669 0.3 . 1 . . . . . . . . 4959 1 773 . 1 1 74 74 ASN HB2 H 1 2.810 0.03 . 2 . . . . . . . . 4959 1 774 . 1 1 74 74 ASN HB3 H 1 2.735 0.03 . 2 . . . . . . . . 4959 1 775 . 1 1 74 74 ASN C C 13 173.585 0.3 . 1 . . . . . . . . 4959 1 776 . 1 1 75 75 TRP N N 15 121.969 0.2 . 1 . . . . . . . . 4959 1 777 . 1 1 75 75 TRP H H 1 7.907 0.03 . 1 . . . . . . . . 4959 1 778 . 1 1 75 75 TRP CA C 13 58.130 0.3 . 1 . . . . . . . . 4959 1 779 . 1 1 75 75 TRP HA H 1 3.979 0.03 . 1 . . . . . . . . 4959 1 780 . 1 1 75 75 TRP CB C 13 25.518 0.3 . 1 . . . . . . . . 4959 1 781 . 1 1 75 75 TRP HB2 H 1 3.237 0.03 . 2 . . . . . . . . 4959 1 782 . 1 1 75 75 TRP HB3 H 1 3.610 0.03 . 2 . . . . . . . . 4959 1 783 . 1 1 75 75 TRP CD1 C 13 125.464 0.3 . 1 . . . . . . . . 4959 1 784 . 1 1 75 75 TRP HD1 H 1 7.134 0.03 . 1 . . . . . . . . 4959 1 785 . 1 1 75 75 TRP NE1 N 15 131.114 0.2 . 1 . . . . . . . . 4959 1 786 . 1 1 75 75 TRP HE1 H 1 10.554 0.03 . 1 . . . . . . . . 4959 1 787 . 1 1 75 75 TRP CE3 C 13 119.425 0.3 . 1 . . . . . . . . 4959 1 788 . 1 1 75 75 TRP HE3 H 1 7.191 0.03 . 1 . . . . . . . . 4959 1 789 . 1 1 75 75 TRP CZ2 C 13 112.550 0.3 . 1 . . . . . . . . 4959 1 790 . 1 1 75 75 TRP HZ2 H 1 7.327 0.03 . 1 . . . . . . . . 4959 1 791 . 1 1 75 75 TRP CZ3 C 13 118.455 0.3 . 1 . . . . . . . . 4959 1 792 . 1 1 75 75 TRP HZ3 H 1 6.366 0.03 . 1 . . . . . . . . 4959 1 793 . 1 1 75 75 TRP CH2 C 13 122.549 0.3 . 1 . . . . . . . . 4959 1 794 . 1 1 75 75 TRP HH2 H 1 6.912 0.03 . 1 . . . . . . . . 4959 1 795 . 1 1 75 75 TRP C C 13 174.629 0.3 . 1 . . . . . . . . 4959 1 796 . 1 1 76 76 ARG N N 15 124.567 0.2 . 1 . . . . . . . . 4959 1 797 . 1 1 76 76 ARG H H 1 7.833 0.03 . 1 . . . . . . . . 4959 1 798 . 1 1 76 76 ARG CA C 13 58.358 0.3 . 1 . . . . . . . . 4959 1 799 . 1 1 76 76 ARG HA H 1 3.139 0.03 . 1 . . . . . . . . 4959 1 800 . 1 1 76 76 ARG CB C 13 26.996 0.3 . 1 . . . . . . . . 4959 1 801 . 1 1 76 76 ARG HB2 H 1 1.072 0.03 . 2 . . . . . . . . 4959 1 802 . 1 1 76 76 ARG CG C 13 25.449 0.3 . 1 . . . . . . . . 4959 1 803 . 1 1 76 76 ARG HG2 H 1 0.190 0.03 . 1 . . . . . . . . 4959 1 804 . 1 1 76 76 ARG HG3 H 1 0.190 0.03 . 1 . . . . . . . . 4959 1 805 . 1 1 76 76 ARG CD C 13 40.936 0.3 . 1 . . . . . . . . 4959 1 806 . 1 1 76 76 ARG HD2 H 1 2.570 0.03 . 2 . . . . . . . . 4959 1 807 . 1 1 76 76 ARG C C 13 176.410 0.3 . 1 . . . . . . . . 4959 1 808 . 1 1 77 77 HIS N N 15 116.630 0.2 . 1 . . . . . . . . 4959 1 809 . 1 1 77 77 HIS H H 1 7.489 0.03 . 1 . . . . . . . . 4959 1 810 . 1 1 77 77 HIS CA C 13 54.520 0.3 . 1 . . . . . . . . 4959 1 811 . 1 1 77 77 HIS HA H 1 4.648 0.03 . 1 . . . . . . . . 4959 1 812 . 1 1 77 77 HIS CB C 13 27.473 0.3 . 1 . . . . . . . . 4959 1 813 . 1 1 77 77 HIS HB2 H 1 3.087 0.03 . 2 . . . . . . . . 4959 1 814 . 1 1 77 77 HIS HB3 H 1 3.632 0.03 . 2 . . . . . . . . 4959 1 815 . 1 1 77 77 HIS C C 13 173.981 0.3 . 1 . . . . . . . . 4959 1 816 . 1 1 78 78 VAL N N 15 118.579 0.2 . 1 . . . . . . . . 4959 1 817 . 1 1 78 78 VAL H H 1 6.740 0.03 . 1 . . . . . . . . 4959 1 818 . 1 1 78 78 VAL CA C 13 62.814 0.3 . 1 . . . . . . . . 4959 1 819 . 1 1 78 78 VAL HA H 1 3.479 0.03 . 1 . . . . . . . . 4959 1 820 . 1 1 78 78 VAL CB C 13 30.010 0.3 . 1 . . . . . . . . 4959 1 821 . 1 1 78 78 VAL HB H 1 2.120 0.03 . 1 . . . . . . . . 4959 1 822 . 1 1 78 78 VAL CG1 C 13 21.160 0.3 . 2 . . . . . . . . 4959 1 823 . 1 1 78 78 VAL HG11 H 1 0.954 0.03 . 2 . . . . . . . . 4959 1 824 . 1 1 78 78 VAL HG12 H 1 0.954 0.03 . 2 . . . . . . . . 4959 1 825 . 1 1 78 78 VAL HG13 H 1 0.954 0.03 . 2 . . . . . . . . 4959 1 826 . 1 1 78 78 VAL CG2 C 13 19.390 0.3 . 2 . . . . . . . . 4959 1 827 . 1 1 78 78 VAL HG21 H 1 1.010 0.03 . 2 . . . . . . . . 4959 1 828 . 1 1 78 78 VAL HG22 H 1 1.010 0.03 . 2 . . . . . . . . 4959 1 829 . 1 1 78 78 VAL HG23 H 1 1.010 0.03 . 2 . . . . . . . . 4959 1 830 . 1 1 78 78 VAL C C 13 175.870 0.3 . 1 . . . . . . . . 4959 1 831 . 1 1 79 79 TYR N N 15 119.944 0.2 . 1 . . . . . . . . 4959 1 832 . 1 1 79 79 TYR H H 1 8.263 0.03 . 1 . . . . . . . . 4959 1 833 . 1 1 79 79 TYR CA C 13 59.822 0.3 . 1 . . . . . . . . 4959 1 834 . 1 1 79 79 TYR HA H 1 3.927 0.03 . 1 . . . . . . . . 4959 1 835 . 1 1 79 79 TYR CB C 13 38.207 0.3 . 1 . . . . . . . . 4959 1 836 . 1 1 79 79 TYR HB2 H 1 3.141 0.03 . 2 . . . . . . . . 4959 1 837 . 1 1 79 79 TYR HB3 H 1 2.879 0.03 . 2 . . . . . . . . 4959 1 838 . 1 1 79 79 TYR CD1 C 13 130.023 0.3 . 1 . . . . . . . . 4959 1 839 . 1 1 79 79 TYR HD1 H 1 6.854 0.03 . 1 . . . . . . . . 4959 1 840 . 1 1 79 79 TYR CD2 C 13 130.023 0.3 . 1 . . . . . . . . 4959 1 841 . 1 1 79 79 TYR HD2 H 1 6.854 0.03 . 1 . . . . . . . . 4959 1 842 . 1 1 79 79 TYR CE1 C 13 116.738 0.3 . 1 . . . . . . . . 4959 1 843 . 1 1 79 79 TYR HE1 H 1 6.953 0.03 . 1 . . . . . . . . 4959 1 844 . 1 1 79 79 TYR CE2 C 13 116.738 0.3 . 1 . . . . . . . . 4959 1 845 . 1 1 79 79 TYR HE2 H 1 6.953 0.03 . 1 . . . . . . . . 4959 1 846 . 1 1 79 79 TYR C C 13 176.014 0.3 . 1 . . . . . . . . 4959 1 847 . 1 1 80 80 LYS N N 15 119.183 0.2 . 1 . . . . . . . . 4959 1 848 . 1 1 80 80 LYS H H 1 8.976 0.03 . 1 . . . . . . . . 4959 1 849 . 1 1 80 80 LYS CA C 13 57.870 0.3 . 1 . . . . . . . . 4959 1 850 . 1 1 80 80 LYS HA H 1 3.820 0.03 . 1 . . . . . . . . 4959 1 851 . 1 1 80 80 LYS CB C 13 30.660 0.3 . 1 . . . . . . . . 4959 1 852 . 1 1 80 80 LYS HB2 H 1 1.748 0.03 . 2 . . . . . . . . 4959 1 853 . 1 1 80 80 LYS HB3 H 1 1.805 0.03 . 2 . . . . . . . . 4959 1 854 . 1 1 80 80 LYS HG2 H 1 1.458 0.03 . 2 . . . . . . . . 4959 1 855 . 1 1 80 80 LYS C C 13 176.208 0.3 . 1 . . . . . . . . 4959 1 856 . 1 1 81 81 ALA N N 15 123.064 0.2 . 1 . . . . . . . . 4959 1 857 . 1 1 81 81 ALA H H 1 7.835 0.03 . 1 . . . . . . . . 4959 1 858 . 1 1 81 81 ALA CA C 13 53.642 0.3 . 1 . . . . . . . . 4959 1 859 . 1 1 81 81 ALA HA H 1 3.767 0.03 . 1 . . . . . . . . 4959 1 860 . 1 1 81 81 ALA CB C 13 15.438 0.3 . 1 . . . . . . . . 4959 1 861 . 1 1 81 81 ALA HB1 H 1 1.414 0.03 . 1 . . . . . . . . 4959 1 862 . 1 1 81 81 ALA HB2 H 1 1.414 0.03 . 1 . . . . . . . . 4959 1 863 . 1 1 81 81 ALA HB3 H 1 1.414 0.03 . 1 . . . . . . . . 4959 1 864 . 1 1 81 81 ALA C C 13 176.842 0.3 . 1 . . . . . . . . 4959 1 865 . 1 1 82 82 MET N N 15 118.210 0.2 . 1 . . . . . . . . 4959 1 866 . 1 1 82 82 MET H H 1 7.825 0.03 . 1 . . . . . . . . 4959 1 867 . 1 1 82 82 MET CA C 13 57.870 0.3 . 1 . . . . . . . . 4959 1 868 . 1 1 82 82 MET HA H 1 3.876 0.03 . 1 . . . . . . . . 4959 1 869 . 1 1 82 82 MET CB C 13 32.475 0.3 . 1 . . . . . . . . 4959 1 870 . 1 1 82 82 MET HB2 H 1 1.752 0.03 . 2 . . . . . . . . 4959 1 871 . 1 1 82 82 MET HB3 H 1 2.371 0.03 . 2 . . . . . . . . 4959 1 872 . 1 1 82 82 MET CE C 13 16.900 0.3 . 1 . . . . . . . . 4959 1 873 . 1 1 82 82 MET HE1 H 1 2.162 0.03 . 1 . . . . . . . . 4959 1 874 . 1 1 82 82 MET HE2 H 1 2.162 0.03 . 1 . . . . . . . . 4959 1 875 . 1 1 82 82 MET HE3 H 1 2.162 0.03 . 1 . . . . . . . . 4959 1 876 . 1 1 82 82 MET C C 13 175.546 0.3 . 1 . . . . . . . . 4959 1 877 . 1 1 83 83 THR N N 15 119.092 0.2 . 1 . . . . . . . . 4959 1 878 . 1 1 83 83 THR H H 1 7.839 0.03 . 1 . . . . . . . . 4959 1 879 . 1 1 83 83 THR CA C 13 64.636 0.3 . 1 . . . . . . . . 4959 1 880 . 1 1 83 83 THR HA H 1 3.793 0.03 . 1 . . . . . . . . 4959 1 881 . 1 1 83 83 THR CB C 13 66.006 0.3 . 1 . . . . . . . . 4959 1 882 . 1 1 83 83 THR HB H 1 4.144 0.03 . 1 . . . . . . . . 4959 1 883 . 1 1 83 83 THR CG2 C 13 19.212 0.3 . 1 . . . . . . . . 4959 1 884 . 1 1 83 83 THR HG21 H 1 1.111 0.03 . 1 . . . . . . . . 4959 1 885 . 1 1 83 83 THR HG22 H 1 1.111 0.03 . 1 . . . . . . . . 4959 1 886 . 1 1 83 83 THR HG23 H 1 1.111 0.03 . 1 . . . . . . . . 4959 1 887 . 1 1 83 83 THR C C 13 174.413 0.3 . 1 . . . . . . . . 4959 1 888 . 1 1 84 84 LEU N N 15 124.493 0.2 . 1 . . . . . . . . 4959 1 889 . 1 1 84 84 LEU H H 1 8.332 0.03 . 1 . . . . . . . . 4959 1 890 . 1 1 84 84 LEU CA C 13 55.268 0.3 . 1 . . . . . . . . 4959 1 891 . 1 1 84 84 LEU HA H 1 4.311 0.03 . 1 . . . . . . . . 4959 1 892 . 1 1 84 84 LEU CB C 13 39.258 0.3 . 1 . . . . . . . . 4959 1 893 . 1 1 84 84 LEU HB2 H 1 1.889 0.03 . 2 . . . . . . . . 4959 1 894 . 1 1 84 84 LEU HB3 H 1 1.868 0.03 . 2 . . . . . . . . 4959 1 895 . 1 1 84 84 LEU CG C 13 24.948 0.3 . 1 . . . . . . . . 4959 1 896 . 1 1 84 84 LEU HG H 1 1.399 0.03 . 1 . . . . . . . . 4959 1 897 . 1 1 84 84 LEU CD1 C 13 21.416 0.3 . 2 . . . . . . . . 4959 1 898 . 1 1 84 84 LEU HD11 H 1 0.810 0.03 . 2 . . . . . . . . 4959 1 899 . 1 1 84 84 LEU HD12 H 1 0.810 0.03 . 2 . . . . . . . . 4959 1 900 . 1 1 84 84 LEU HD13 H 1 0.810 0.03 . 2 . . . . . . . . 4959 1 901 . 1 1 84 84 LEU CD2 C 13 25.072 0.3 . 2 . . . . . . . . 4959 1 902 . 1 1 84 84 LEU HD21 H 1 0.726 0.03 . 2 . . . . . . . . 4959 1 903 . 1 1 84 84 LEU HD22 H 1 0.726 0.03 . 2 . . . . . . . . 4959 1 904 . 1 1 84 84 LEU HD23 H 1 0.726 0.03 . 2 . . . . . . . . 4959 1 905 . 1 1 84 84 LEU C C 13 175.330 0.3 . 1 . . . . . . . . 4959 1 906 . 1 1 85 85 MET N N 15 120.890 0.2 . 1 . . . . . . . . 4959 1 907 . 1 1 85 85 MET H H 1 8.561 0.03 . 1 . . . . . . . . 4959 1 908 . 1 1 85 85 MET CA C 13 58.325 0.3 . 1 . . . . . . . . 4959 1 909 . 1 1 85 85 MET HA H 1 3.491 0.03 . 1 . . . . . . . . 4959 1 910 . 1 1 85 85 MET CB C 13 31.170 0.3 . 1 . . . . . . . . 4959 1 911 . 1 1 85 85 MET HB2 H 1 2.083 0.03 . 2 . . . . . . . . 4959 1 912 . 1 1 85 85 MET HB3 H 1 2.064 0.03 . 2 . . . . . . . . 4959 1 913 . 1 1 85 85 MET CG C 13 29.420 0.3 . 1 . . . . . . . . 4959 1 914 . 1 1 85 85 MET HG2 H 1 1.969 0.03 . 2 . . . . . . . . 4959 1 915 . 1 1 85 85 MET CE C 13 15.271 0.3 . 1 . . . . . . . . 4959 1 916 . 1 1 85 85 MET HE1 H 1 1.432 0.03 . 1 . . . . . . . . 4959 1 917 . 1 1 85 85 MET HE2 H 1 1.432 0.03 . 1 . . . . . . . . 4959 1 918 . 1 1 85 85 MET HE3 H 1 1.432 0.03 . 1 . . . . . . . . 4959 1 919 . 1 1 85 85 MET C C 13 174.593 0.3 . 1 . . . . . . . . 4959 1 920 . 1 1 86 86 GLU N N 15 119.422 0.2 . 1 . . . . . . . . 4959 1 921 . 1 1 86 86 GLU H H 1 8.292 0.03 . 1 . . . . . . . . 4959 1 922 . 1 1 86 86 GLU CA C 13 57.903 0.3 . 1 . . . . . . . . 4959 1 923 . 1 1 86 86 GLU HA H 1 3.590 0.03 . 1 . . . . . . . . 4959 1 924 . 1 1 86 86 GLU CB C 13 28.219 0.3 . 1 . . . . . . . . 4959 1 925 . 1 1 86 86 GLU HB2 H 1 2.072 0.03 . 2 . . . . . . . . 4959 1 926 . 1 1 86 86 GLU HB3 H 1 2.265 0.03 . 2 . . . . . . . . 4959 1 927 . 1 1 86 86 GLU HG2 H 1 2.235 0.03 . 2 . . . . . . . . 4959 1 928 . 1 1 86 86 GLU C C 13 174.647 0.3 . 1 . . . . . . . . 4959 1 929 . 1 1 87 87 TYR N N 15 120.333 0.2 . 1 . . . . . . . . 4959 1 930 . 1 1 87 87 TYR H H 1 7.558 0.03 . 1 . . . . . . . . 4959 1 931 . 1 1 87 87 TYR CA C 13 59.789 0.3 . 1 . . . . . . . . 4959 1 932 . 1 1 87 87 TYR HA H 1 3.983 0.03 . 1 . . . . . . . . 4959 1 933 . 1 1 87 87 TYR CB C 13 37.780 0.3 . 1 . . . . . . . . 4959 1 934 . 1 1 87 87 TYR HB2 H 1 3.211 0.03 . 2 . . . . . . . . 4959 1 935 . 1 1 87 87 TYR HB3 H 1 3.100 0.03 . 2 . . . . . . . . 4959 1 936 . 1 1 87 87 TYR CD1 C 13 130.571 0.3 . 1 . . . . . . . . 4959 1 937 . 1 1 87 87 TYR HD1 H 1 6.860 0.03 . 1 . . . . . . . . 4959 1 938 . 1 1 87 87 TYR CD2 C 13 130.571 0.3 . 1 . . . . . . . . 4959 1 939 . 1 1 87 87 TYR HD2 H 1 6.860 0.03 . 1 . . . . . . . . 4959 1 940 . 1 1 87 87 TYR CE1 C 13 116.541 0.3 . 1 . . . . . . . . 4959 1 941 . 1 1 87 87 TYR HE1 H 1 6.670 0.03 . 1 . . . . . . . . 4959 1 942 . 1 1 87 87 TYR CE2 C 13 116.541 0.3 . 1 . . . . . . . . 4959 1 943 . 1 1 87 87 TYR HE2 H 1 6.670 0.03 . 1 . . . . . . . . 4959 1 944 . 1 1 87 87 TYR C C 13 173.297 0.3 . 1 . . . . . . . . 4959 1 945 . 1 1 88 88 LEU N N 15 120.373 0.2 . 1 . . . . . . . . 4959 1 946 . 1 1 88 88 LEU H H 1 8.858 0.03 . 1 . . . . . . . . 4959 1 947 . 1 1 88 88 LEU CA C 13 55.040 0.3 . 1 . . . . . . . . 4959 1 948 . 1 1 88 88 LEU HA H 1 3.903 0.03 . 1 . . . . . . . . 4959 1 949 . 1 1 88 88 LEU CB C 13 40.418 0.3 . 1 . . . . . . . . 4959 1 950 . 1 1 88 88 LEU HB2 H 1 1.338 0.03 . 2 . . . . . . . . 4959 1 951 . 1 1 88 88 LEU HB3 H 1 1.962 0.03 . 2 . . . . . . . . 4959 1 952 . 1 1 88 88 LEU CG C 13 23.407 0.3 . 1 . . . . . . . . 4959 1 953 . 1 1 88 88 LEU HG H 1 2.136 0.03 . 1 . . . . . . . . 4959 1 954 . 1 1 88 88 LEU CD1 C 13 23.388 0.3 . 2 . . . . . . . . 4959 1 955 . 1 1 88 88 LEU HD11 H 1 0.566 0.03 . 2 . . . . . . . . 4959 1 956 . 1 1 88 88 LEU HD12 H 1 0.566 0.03 . 2 . . . . . . . . 4959 1 957 . 1 1 88 88 LEU HD13 H 1 0.566 0.03 . 2 . . . . . . . . 4959 1 958 . 1 1 88 88 LEU CD2 C 13 19.559 0.3 . 2 . . . . . . . . 4959 1 959 . 1 1 88 88 LEU HD21 H 1 0.820 0.03 . 2 . . . . . . . . 4959 1 960 . 1 1 88 88 LEU HD22 H 1 0.820 0.03 . 2 . . . . . . . . 4959 1 961 . 1 1 88 88 LEU HD23 H 1 0.820 0.03 . 2 . . . . . . . . 4959 1 962 . 1 1 88 88 LEU C C 13 177.292 0.3 . 1 . . . . . . . . 4959 1 963 . 1 1 89 89 ILE N N 15 122.688 0.2 . 1 . . . . . . . . 4959 1 964 . 1 1 89 89 ILE H H 1 8.740 0.03 . 1 . . . . . . . . 4959 1 965 . 1 1 89 89 ILE CA C 13 63.074 0.3 . 1 . . . . . . . . 4959 1 966 . 1 1 89 89 ILE HA H 1 3.522 0.03 . 1 . . . . . . . . 4959 1 967 . 1 1 89 89 ILE CB C 13 35.780 0.3 . 1 . . . . . . . . 4959 1 968 . 1 1 89 89 ILE HB H 1 1.927 0.03 . 1 . . . . . . . . 4959 1 969 . 1 1 89 89 ILE CG1 C 13 28.404 0.3 . 1 . . . . . . . . 4959 1 970 . 1 1 89 89 ILE HG12 H 1 1.802 0.03 . 1 . . . . . . . . 4959 1 971 . 1 1 89 89 ILE HG13 H 1 1.802 0.03 . 1 . . . . . . . . 4959 1 972 . 1 1 89 89 ILE CG2 C 13 14.804 0.3 . 1 . . . . . . . . 4959 1 973 . 1 1 89 89 ILE HG21 H 1 0.801 0.03 . 1 . . . . . . . . 4959 1 974 . 1 1 89 89 ILE HG22 H 1 0.801 0.03 . 1 . . . . . . . . 4959 1 975 . 1 1 89 89 ILE HG23 H 1 0.801 0.03 . 1 . . . . . . . . 4959 1 976 . 1 1 89 89 ILE CD1 C 13 12.936 0.3 . 1 . . . . . . . . 4959 1 977 . 1 1 89 89 ILE HD11 H 1 0.774 0.03 . 1 . . . . . . . . 4959 1 978 . 1 1 89 89 ILE HD12 H 1 0.774 0.03 . 1 . . . . . . . . 4959 1 979 . 1 1 89 89 ILE HD13 H 1 0.774 0.03 . 1 . . . . . . . . 4959 1 980 . 1 1 89 89 ILE C C 13 175.960 0.3 . 1 . . . . . . . . 4959 1 981 . 1 1 90 90 LYS N N 15 117.770 0.2 . 1 . . . . . . . . 4959 1 982 . 1 1 90 90 LYS H H 1 7.275 0.03 . 1 . . . . . . . . 4959 1 983 . 1 1 90 90 LYS CA C 13 56.732 0.3 . 1 . . . . . . . . 4959 1 984 . 1 1 90 90 LYS HA H 1 4.108 0.03 . 1 . . . . . . . . 4959 1 985 . 1 1 90 90 LYS CB C 13 31.115 0.3 . 1 . . . . . . . . 4959 1 986 . 1 1 90 90 LYS HB2 H 1 1.748 0.03 . 1 . . . . . . . . 4959 1 987 . 1 1 90 90 LYS HB3 H 1 1.748 0.03 . 1 . . . . . . . . 4959 1 988 . 1 1 90 90 LYS CG C 13 23.299 0.3 . 1 . . . . . . . . 4959 1 989 . 1 1 90 90 LYS HG2 H 1 1.392 0.03 . 2 . . . . . . . . 4959 1 990 . 1 1 90 90 LYS HG3 H 1 1.463 0.03 . 2 . . . . . . . . 4959 1 991 . 1 1 90 90 LYS CD C 13 27.095 0.3 . 1 . . . . . . . . 4959 1 992 . 1 1 90 90 LYS HD2 H 1 1.625 0.03 . 2 . . . . . . . . 4959 1 993 . 1 1 90 90 LYS CE C 13 39.970 0.3 . 1 . . . . . . . . 4959 1 994 . 1 1 90 90 LYS HE2 H 1 2.891 0.03 . 2 . . . . . . . . 4959 1 995 . 1 1 90 90 LYS C C 13 176.194 0.3 . 1 . . . . . . . . 4959 1 996 . 1 1 91 91 THR N N 15 109.666 0.2 . 1 . . . . . . . . 4959 1 997 . 1 1 91 91 THR H H 1 7.805 0.03 . 1 . . . . . . . . 4959 1 998 . 1 1 91 91 THR CA C 13 60.472 0.3 . 1 . . . . . . . . 4959 1 999 . 1 1 91 91 THR HA H 1 4.468 0.03 . 1 . . . . . . . . 4959 1 1000 . 1 1 91 91 THR CB C 13 68.651 0.3 . 1 . . . . . . . . 4959 1 1001 . 1 1 91 91 THR HB H 1 3.781 0.03 . 1 . . . . . . . . 4959 1 1002 . 1 1 91 91 THR CG2 C 13 19.192 0.3 . 1 . . . . . . . . 4959 1 1003 . 1 1 91 91 THR HG21 H 1 0.892 0.03 . 1 . . . . . . . . 4959 1 1004 . 1 1 91 91 THR HG22 H 1 0.892 0.03 . 1 . . . . . . . . 4959 1 1005 . 1 1 91 91 THR HG23 H 1 0.892 0.03 . 1 . . . . . . . . 4959 1 1006 . 1 1 91 91 THR C C 13 173.297 0.3 . 1 . . . . . . . . 4959 1 1007 . 1 1 92 92 GLY N N 15 112.450 0.2 . 1 . . . . . . . . 4959 1 1008 . 1 1 92 92 GLY H H 1 8.377 0.03 . 1 . . . . . . . . 4959 1 1009 . 1 1 92 92 GLY CA C 13 41.075 0.3 . 1 . . . . . . . . 4959 1 1010 . 1 1 92 92 GLY HA2 H 1 4.339 0.03 . 2 . . . . . . . . 4959 1 1011 . 1 1 92 92 GLY HA3 H 1 3.573 0.03 . 2 . . . . . . . . 4959 1 1012 . 1 1 92 92 GLY C C 13 169.638 0.3 . 1 . . . . . . . . 4959 1 1013 . 1 1 93 93 SER N N 15 112.503 0.2 . 1 . . . . . . . . 4959 1 1014 . 1 1 93 93 SER H H 1 7.276 0.03 . 1 . . . . . . . . 4959 1 1015 . 1 1 93 93 SER CA C 13 55.550 0.3 . 1 . . . . . . . . 4959 1 1016 . 1 1 93 93 SER HA H 1 3.822 0.03 . 1 . . . . . . . . 4959 1 1017 . 1 1 93 93 SER CB C 13 61.261 0.3 . 1 . . . . . . . . 4959 1 1018 . 1 1 93 93 SER HB2 H 1 3.142 0.03 . 2 . . . . . . . . 4959 1 1019 . 1 1 93 93 SER HB3 H 1 2.791 0.03 . 2 . . . . . . . . 4959 1 1020 . 1 1 93 93 SER C C 13 174.809 0.3 . 1 . . . . . . . . 4959 1 1021 . 1 1 94 94 GLU N N 15 130.961 0.2 . 1 . . . . . . . . 4959 1 1022 . 1 1 94 94 GLU H H 1 9.331 0.03 . 1 . . . . . . . . 4959 1 1023 . 1 1 94 94 GLU CA C 13 56.851 0.3 . 1 . . . . . . . . 4959 1 1024 . 1 1 94 94 GLU HA H 1 4.273 0.03 . 1 . . . . . . . . 4959 1 1025 . 1 1 94 94 GLU CB C 13 26.887 0.3 . 1 . . . . . . . . 4959 1 1026 . 1 1 94 94 GLU HB2 H 1 2.112 0.03 . 2 . . . . . . . . 4959 1 1027 . 1 1 94 94 GLU CG C 13 33.534 0.3 . 1 . . . . . . . . 4959 1 1028 . 1 1 94 94 GLU HG2 H 1 2.363 0.03 . 2 . . . . . . . . 4959 1 1029 . 1 1 94 94 GLU C C 13 174.665 0.3 . 1 . . . . . . . . 4959 1 1030 . 1 1 95 95 ARG N N 15 118.683 0.2 . 1 . . . . . . . . 4959 1 1031 . 1 1 95 95 ARG H H 1 7.828 0.03 . 1 . . . . . . . . 4959 1 1032 . 1 1 95 95 ARG CA C 13 56.298 0.3 . 1 . . . . . . . . 4959 1 1033 . 1 1 95 95 ARG HA H 1 3.977 0.03 . 1 . . . . . . . . 4959 1 1034 . 1 1 95 95 ARG CB C 13 28.318 0.3 . 1 . . . . . . . . 4959 1 1035 . 1 1 95 95 ARG HB2 H 1 1.338 0.03 . 2 . . . . . . . . 4959 1 1036 . 1 1 95 95 ARG HB3 H 1 0.977 0.03 . 2 . . . . . . . . 4959 1 1037 . 1 1 95 95 ARG CG C 13 25.415 0.3 . 1 . . . . . . . . 4959 1 1038 . 1 1 95 95 ARG HG2 H 1 1.397 0.03 . 1 . . . . . . . . 4959 1 1039 . 1 1 95 95 ARG HG3 H 1 1.397 0.03 . 1 . . . . . . . . 4959 1 1040 . 1 1 95 95 ARG CD C 13 40.727 0.3 . 1 . . . . . . . . 4959 1 1041 . 1 1 95 95 ARG HD2 H 1 2.643 0.03 . 2 . . . . . . . . 4959 1 1042 . 1 1 95 95 ARG HD3 H 1 2.772 0.03 . 2 . . . . . . . . 4959 1 1043 . 1 1 95 95 ARG C C 13 176.878 0.3 . 1 . . . . . . . . 4959 1 1044 . 1 1 96 96 VAL N N 15 120.133 0.2 . 1 . . . . . . . . 4959 1 1045 . 1 1 96 96 VAL H H 1 8.077 0.03 . 1 . . . . . . . . 4959 1 1046 . 1 1 96 96 VAL CA C 13 64.646 0.3 . 1 . . . . . . . . 4959 1 1047 . 1 1 96 96 VAL HA H 1 3.860 0.03 . 1 . . . . . . . . 4959 1 1048 . 1 1 96 96 VAL CB C 13 29.489 0.3 . 1 . . . . . . . . 4959 1 1049 . 1 1 96 96 VAL HB H 1 2.308 0.03 . 1 . . . . . . . . 4959 1 1050 . 1 1 96 96 VAL CG1 C 13 19.981 0.3 . 2 . . . . . . . . 4959 1 1051 . 1 1 96 96 VAL HG11 H 1 1.209 0.03 . 2 . . . . . . . . 4959 1 1052 . 1 1 96 96 VAL HG12 H 1 1.209 0.03 . 2 . . . . . . . . 4959 1 1053 . 1 1 96 96 VAL HG13 H 1 1.209 0.03 . 2 . . . . . . . . 4959 1 1054 . 1 1 96 96 VAL CG2 C 13 19.160 0.3 . 2 . . . . . . . . 4959 1 1055 . 1 1 96 96 VAL HG21 H 1 0.830 0.03 . 2 . . . . . . . . 4959 1 1056 . 1 1 96 96 VAL HG22 H 1 0.830 0.03 . 2 . . . . . . . . 4959 1 1057 . 1 1 96 96 VAL HG23 H 1 0.830 0.03 . 2 . . . . . . . . 4959 1 1058 . 1 1 96 96 VAL C C 13 175.852 0.3 . 1 . . . . . . . . 4959 1 1059 . 1 1 97 97 SER N N 15 116.054 0.2 . 1 . . . . . . . . 4959 1 1060 . 1 1 97 97 SER H H 1 7.742 0.03 . 1 . . . . . . . . 4959 1 1061 . 1 1 97 97 SER CA C 13 60.418 0.3 . 1 . . . . . . . . 4959 1 1062 . 1 1 97 97 SER HA H 1 3.859 0.03 . 1 . . . . . . . . 4959 1 1063 . 1 1 97 97 SER CB C 13 60.259 0.3 . 1 . . . . . . . . 4959 1 1064 . 1 1 97 97 SER HB2 H 1 4.013 0.03 . 1 . . . . . . . . 4959 1 1065 . 1 1 97 97 SER HB3 H 1 4.013 0.03 . 1 . . . . . . . . 4959 1 1066 . 1 1 97 97 SER C C 13 173.891 0.3 . 1 . . . . . . . . 4959 1 1067 . 1 1 98 98 GLN N N 15 119.910 0.2 . 1 . . . . . . . . 4959 1 1068 . 1 1 98 98 GLN H H 1 7.634 0.03 . 1 . . . . . . . . 4959 1 1069 . 1 1 98 98 GLN CA C 13 57.100 0.3 . 1 . . . . . . . . 4959 1 1070 . 1 1 98 98 GLN HA H 1 4.034 0.03 . 1 . . . . . . . . 4959 1 1071 . 1 1 98 98 GLN CB C 13 25.998 0.3 . 1 . . . . . . . . 4959 1 1072 . 1 1 98 98 GLN HB2 H 1 2.160 0.03 . 1 . . . . . . . . 4959 1 1073 . 1 1 98 98 GLN HB3 H 1 2.160 0.03 . 1 . . . . . . . . 4959 1 1074 . 1 1 98 98 GLN CG C 13 31.092 0.3 . 1 . . . . . . . . 4959 1 1075 . 1 1 98 98 GLN HG2 H 1 2.437 0.03 . 2 . . . . . . . . 4959 1 1076 . 1 1 98 98 GLN HG3 H 1 2.545 0.03 . 2 . . . . . . . . 4959 1 1077 . 1 1 98 98 GLN C C 13 176.230 0.3 . 1 . . . . . . . . 4959 1 1078 . 1 1 99 99 GLN N N 15 119.750 0.2 . 1 . . . . . . . . 4959 1 1079 . 1 1 99 99 GLN H H 1 8.130 0.03 . 1 . . . . . . . . 4959 1 1080 . 1 1 99 99 GLN CA C 13 57.165 0.3 . 1 . . . . . . . . 4959 1 1081 . 1 1 99 99 GLN HA H 1 4.265 0.03 . 1 . . . . . . . . 4959 1 1082 . 1 1 99 99 GLN CB C 13 27.234 0.3 . 1 . . . . . . . . 4959 1 1083 . 1 1 99 99 GLN HB2 H 1 2.474 0.03 . 1 . . . . . . . . 4959 1 1084 . 1 1 99 99 GLN HB3 H 1 2.474 0.03 . 1 . . . . . . . . 4959 1 1085 . 1 1 99 99 GLN CG C 13 34.092 0.3 . 1 . . . . . . . . 4959 1 1086 . 1 1 99 99 GLN HG2 H 1 2.834 0.03 . 1 . . . . . . . . 4959 1 1087 . 1 1 99 99 GLN HG3 H 1 2.834 0.03 . 1 . . . . . . . . 4959 1 1088 . 1 1 99 99 GLN C C 13 177.220 0.3 . 1 . . . . . . . . 4959 1 1089 . 1 1 100 100 CYS N N 15 119.690 0.2 . 1 . . . . . . . . 4959 1 1090 . 1 1 100 100 CYS H H 1 8.665 0.03 . 1 . . . . . . . . 4959 1 1091 . 1 1 100 100 CYS CA C 13 62.532 0.3 . 1 . . . . . . . . 4959 1 1092 . 1 1 100 100 CYS HA H 1 4.367 0.03 . 1 . . . . . . . . 4959 1 1093 . 1 1 100 100 CYS CB C 13 25.478 0.3 . 1 . . . . . . . . 4959 1 1094 . 1 1 100 100 CYS HB2 H 1 3.067 0.03 . 2 . . . . . . . . 4959 1 1095 . 1 1 100 100 CYS HB3 H 1 2.745 0.03 . 2 . . . . . . . . 4959 1 1096 . 1 1 100 100 CYS C C 13 173.927 0.3 . 1 . . . . . . . . 4959 1 1097 . 1 1 101 101 LYS N N 15 118.860 0.2 . 1 . . . . . . . . 4959 1 1098 . 1 1 101 101 LYS H H 1 8.208 0.03 . 1 . . . . . . . . 4959 1 1099 . 1 1 101 101 LYS CA C 13 58.141 0.3 . 1 . . . . . . . . 4959 1 1100 . 1 1 101 101 LYS HA H 1 3.970 0.03 . 1 . . . . . . . . 4959 1 1101 . 1 1 101 101 LYS CB C 13 29.967 0.3 . 1 . . . . . . . . 4959 1 1102 . 1 1 101 101 LYS HB2 H 1 1.987 0.03 . 1 . . . . . . . . 4959 1 1103 . 1 1 101 101 LYS HB3 H 1 1.987 0.03 . 1 . . . . . . . . 4959 1 1104 . 1 1 101 101 LYS CG C 13 24.400 0.3 . 1 . . . . . . . . 4959 1 1105 . 1 1 101 101 LYS HG2 H 1 1.490 0.03 . 1 . . . . . . . . 4959 1 1106 . 1 1 101 101 LYS HG3 H 1 1.490 0.03 . 1 . . . . . . . . 4959 1 1107 . 1 1 101 101 LYS CD C 13 27.394 0.3 . 1 . . . . . . . . 4959 1 1108 . 1 1 101 101 LYS HD2 H 1 1.721 0.03 . 1 . . . . . . . . 4959 1 1109 . 1 1 101 101 LYS HD3 H 1 1.721 0.03 . 1 . . . . . . . . 4959 1 1110 . 1 1 101 101 LYS CE C 13 39.939 0.3 . 1 . . . . . . . . 4959 1 1111 . 1 1 101 101 LYS HE2 H 1 2.998 0.03 . 1 . . . . . . . . 4959 1 1112 . 1 1 101 101 LYS HE3 H 1 2.998 0.03 . 1 . . . . . . . . 4959 1 1113 . 1 1 101 101 LYS C C 13 177.490 0.3 . 1 . . . . . . . . 4959 1 1114 . 1 1 102 102 GLU N N 15 120.226 0.2 . 1 . . . . . . . . 4959 1 1115 . 1 1 102 102 GLU H H 1 7.749 0.03 . 1 . . . . . . . . 4959 1 1116 . 1 1 102 102 GLU CA C 13 56.347 0.3 . 1 . . . . . . . . 4959 1 1117 . 1 1 102 102 GLU HA H 1 4.152 0.03 . 1 . . . . . . . . 4959 1 1118 . 1 1 102 102 GLU CB C 13 27.451 0.3 . 1 . . . . . . . . 4959 1 1119 . 1 1 102 102 GLU HB2 H 1 2.156 0.03 . 1 . . . . . . . . 4959 1 1120 . 1 1 102 102 GLU HB3 H 1 2.156 0.03 . 1 . . . . . . . . 4959 1 1121 . 1 1 102 102 GLU CG C 13 33.936 0.3 . 1 . . . . . . . . 4959 1 1122 . 1 1 102 102 GLU HG2 H 1 2.504 0.03 . 2 . . . . . . . . 4959 1 1123 . 1 1 102 102 GLU HG3 H 1 2.469 0.03 . 2 . . . . . . . . 4959 1 1124 . 1 1 102 102 GLU C C 13 174.863 0.3 . 1 . . . . . . . . 4959 1 1125 . 1 1 103 103 ASN N N 15 118.578 0.2 . 1 . . . . . . . . 4959 1 1126 . 1 1 103 103 ASN H H 1 7.492 0.03 . 1 . . . . . . . . 4959 1 1127 . 1 1 103 103 ASN CA C 13 49.738 0.3 . 1 . . . . . . . . 4959 1 1128 . 1 1 103 103 ASN HA H 1 4.980 0.03 . 1 . . . . . . . . 4959 1 1129 . 1 1 103 103 ASN CB C 13 36.818 0.3 . 1 . . . . . . . . 4959 1 1130 . 1 1 103 103 ASN HB2 H 1 2.098 0.03 . 2 . . . . . . . . 4959 1 1131 . 1 1 103 103 ASN HB3 H 1 2.270 0.03 . 2 . . . . . . . . 4959 1 1132 . 1 1 103 103 ASN C C 13 172.919 0.3 . 1 . . . . . . . . 4959 1 1133 . 1 1 104 104 MET N N 15 120.393 0.2 . 1 . . . . . . . . 4959 1 1134 . 1 1 104 104 MET H H 1 7.117 0.03 . 1 . . . . . . . . 4959 1 1135 . 1 1 104 104 MET CA C 13 56.738 0.3 . 1 . . . . . . . . 4959 1 1136 . 1 1 104 104 MET HA H 1 4.010 0.03 . 1 . . . . . . . . 4959 1 1137 . 1 1 104 104 MET CB C 13 30.573 0.3 . 1 . . . . . . . . 4959 1 1138 . 1 1 104 104 MET HB2 H 1 2.154 0.03 . 2 . . . . . . . . 4959 1 1139 . 1 1 104 104 MET HB3 H 1 2.358 0.03 . 2 . . . . . . . . 4959 1 1140 . 1 1 104 104 MET CG C 13 29.709 0.3 . 1 . . . . . . . . 4959 1 1141 . 1 1 104 104 MET HG2 H 1 2.700 0.03 . 2 . . . . . . . . 4959 1 1142 . 1 1 104 104 MET HG3 H 1 2.530 0.03 . 2 . . . . . . . . 4959 1 1143 . 1 1 104 104 MET CE C 13 14.678 0.3 . 1 . . . . . . . . 4959 1 1144 . 1 1 104 104 MET HE1 H 1 1.586 0.03 . 1 . . . . . . . . 4959 1 1145 . 1 1 104 104 MET HE2 H 1 1.586 0.03 . 1 . . . . . . . . 4959 1 1146 . 1 1 104 104 MET HE3 H 1 1.586 0.03 . 1 . . . . . . . . 4959 1 1147 . 1 1 104 104 MET C C 13 175.690 0.3 . 1 . . . . . . . . 4959 1 1148 . 1 1 105 105 TYR N N 15 120.885 0.2 . 1 . . . . . . . . 4959 1 1149 . 1 1 105 105 TYR H H 1 8.547 0.03 . 1 . . . . . . . . 4959 1 1150 . 1 1 105 105 TYR CA C 13 58.608 0.3 . 1 . . . . . . . . 4959 1 1151 . 1 1 105 105 TYR HA H 1 4.287 0.03 . 1 . . . . . . . . 4959 1 1152 . 1 1 105 105 TYR CB C 13 35.257 0.3 . 1 . . . . . . . . 4959 1 1153 . 1 1 105 105 TYR HB2 H 1 3.131 0.03 . 2 . . . . . . . . 4959 1 1154 . 1 1 105 105 TYR HB3 H 1 2.959 0.03 . 2 . . . . . . . . 4959 1 1155 . 1 1 105 105 TYR CD1 C 13 130.907 0.3 . 1 . . . . . . . . 4959 1 1156 . 1 1 105 105 TYR HD1 H 1 7.101 0.03 . 1 . . . . . . . . 4959 1 1157 . 1 1 105 105 TYR CD2 C 13 130.907 0.3 . 1 . . . . . . . . 4959 1 1158 . 1 1 105 105 TYR HD2 H 1 7.101 0.03 . 1 . . . . . . . . 4959 1 1159 . 1 1 105 105 TYR CE1 C 13 116.087 0.3 . 1 . . . . . . . . 4959 1 1160 . 1 1 105 105 TYR HE1 H 1 6.829 0.03 . 1 . . . . . . . . 4959 1 1161 . 1 1 105 105 TYR CE2 C 13 116.087 0.3 . 1 . . . . . . . . 4959 1 1162 . 1 1 105 105 TYR HE2 H 1 6.829 0.03 . 1 . . . . . . . . 4959 1 1163 . 1 1 105 105 TYR C C 13 174.539 0.3 . 1 . . . . . . . . 4959 1 1164 . 1 1 106 106 ALA N N 15 122.815 0.2 . 1 . . . . . . . . 4959 1 1165 . 1 1 106 106 ALA H H 1 7.260 0.03 . 1 . . . . . . . . 4959 1 1166 . 1 1 106 106 ALA CA C 13 52.129 0.3 . 1 . . . . . . . . 4959 1 1167 . 1 1 106 106 ALA HA H 1 4.013 0.03 . 1 . . . . . . . . 4959 1 1168 . 1 1 106 106 ALA CB C 13 16.435 0.3 . 1 . . . . . . . . 4959 1 1169 . 1 1 106 106 ALA HB1 H 1 1.351 0.03 . 1 . . . . . . . . 4959 1 1170 . 1 1 106 106 ALA HB2 H 1 1.351 0.03 . 1 . . . . . . . . 4959 1 1171 . 1 1 106 106 ALA HB3 H 1 1.351 0.03 . 1 . . . . . . . . 4959 1 1172 . 1 1 106 106 ALA C C 13 176.734 0.3 . 1 . . . . . . . . 4959 1 1173 . 1 1 107 107 VAL N N 15 115.882 0.2 . 1 . . . . . . . . 4959 1 1174 . 1 1 107 107 VAL H H 1 7.284 0.03 . 1 . . . . . . . . 4959 1 1175 . 1 1 107 107 VAL CA C 13 62.348 0.3 . 1 . . . . . . . . 4959 1 1176 . 1 1 107 107 VAL HA H 1 3.918 0.03 . 1 . . . . . . . . 4959 1 1177 . 1 1 107 107 VAL CB C 13 30.040 0.3 . 1 . . . . . . . . 4959 1 1178 . 1 1 107 107 VAL HB H 1 2.161 0.03 . 1 . . . . . . . . 4959 1 1179 . 1 1 107 107 VAL CG1 C 13 19.619 0.3 . 2 . . . . . . . . 4959 1 1180 . 1 1 107 107 VAL HG11 H 1 1.004 0.03 . 2 . . . . . . . . 4959 1 1181 . 1 1 107 107 VAL HG12 H 1 1.004 0.03 . 2 . . . . . . . . 4959 1 1182 . 1 1 107 107 VAL HG13 H 1 1.004 0.03 . 2 . . . . . . . . 4959 1 1183 . 1 1 107 107 VAL CG2 C 13 20.767 0.3 . 2 . . . . . . . . 4959 1 1184 . 1 1 107 107 VAL HG21 H 1 0.983 0.03 . 2 . . . . . . . . 4959 1 1185 . 1 1 107 107 VAL HG22 H 1 0.983 0.03 . 2 . . . . . . . . 4959 1 1186 . 1 1 107 107 VAL HG23 H 1 0.983 0.03 . 2 . . . . . . . . 4959 1 1187 . 1 1 107 107 VAL C C 13 175.492 0.3 . 1 . . . . . . . . 4959 1 1188 . 1 1 108 108 GLN N N 15 119.848 0.2 . 1 . . . . . . . . 4959 1 1189 . 1 1 108 108 GLN H H 1 8.367 0.03 . 1 . . . . . . . . 4959 1 1190 . 1 1 108 108 GLN CA C 13 57.130 0.3 . 1 . . . . . . . . 4959 1 1191 . 1 1 108 108 GLN HA H 1 3.872 0.03 . 1 . . . . . . . . 4959 1 1192 . 1 1 108 108 GLN CB C 13 26.584 0.3 . 1 . . . . . . . . 4959 1 1193 . 1 1 108 108 GLN HB2 H 1 2.130 0.03 . 1 . . . . . . . . 4959 1 1194 . 1 1 108 108 GLN HB3 H 1 2.130 0.03 . 1 . . . . . . . . 4959 1 1195 . 1 1 108 108 GLN CG C 13 31.998 0.3 . 1 . . . . . . . . 4959 1 1196 . 1 1 108 108 GLN HG2 H 1 2.363 0.03 . 1 . . . . . . . . 4959 1 1197 . 1 1 108 108 GLN HG3 H 1 2.363 0.03 . 1 . . . . . . . . 4959 1 1198 . 1 1 108 108 GLN C C 13 177.184 0.3 . 1 . . . . . . . . 4959 1 1199 . 1 1 109 109 THR N N 15 112.667 0.2 . 1 . . . . . . . . 4959 1 1200 . 1 1 109 109 THR H H 1 7.765 0.03 . 1 . . . . . . . . 4959 1 1201 . 1 1 109 109 THR CA C 13 62.348 0.3 . 1 . . . . . . . . 4959 1 1202 . 1 1 109 109 THR HA H 1 4.099 0.03 . 1 . . . . . . . . 4959 1 1203 . 1 1 109 109 THR CB C 13 66.895 0.3 . 1 . . . . . . . . 4959 1 1204 . 1 1 109 109 THR HB H 1 4.145 0.03 . 1 . . . . . . . . 4959 1 1205 . 1 1 109 109 THR CG2 C 13 19.070 0.3 . 1 . . . . . . . . 4959 1 1206 . 1 1 109 109 THR HG21 H 1 1.197 0.03 . 1 . . . . . . . . 4959 1 1207 . 1 1 109 109 THR HG22 H 1 1.197 0.03 . 1 . . . . . . . . 4959 1 1208 . 1 1 109 109 THR HG23 H 1 1.197 0.03 . 1 . . . . . . . . 4959 1 1209 . 1 1 109 109 THR C C 13 173.963 0.3 . 1 . . . . . . . . 4959 1 1210 . 1 1 110 110 LEU N N 15 123.321 0.2 . 1 . . . . . . . . 4959 1 1211 . 1 1 110 110 LEU H H 1 7.479 0.03 . 1 . . . . . . . . 4959 1 1212 . 1 1 110 110 LEU CA C 13 54.042 0.3 . 1 . . . . . . . . 4959 1 1213 . 1 1 110 110 LEU HA H 1 4.361 0.03 . 1 . . . . . . . . 4959 1 1214 . 1 1 110 110 LEU CB C 13 38.525 0.3 . 1 . . . . . . . . 4959 1 1215 . 1 1 110 110 LEU HB2 H 1 2.182 0.03 . 2 . . . . . . . . 4959 1 1216 . 1 1 110 110 LEU HB3 H 1 1.430 0.03 . 2 . . . . . . . . 4959 1 1217 . 1 1 110 110 LEU CG C 13 24.534 0.3 . 1 . . . . . . . . 4959 1 1218 . 1 1 110 110 LEU HG H 1 1.974 0.03 . 1 . . . . . . . . 4959 1 1219 . 1 1 110 110 LEU CD1 C 13 20.841 0.3 . 2 . . . . . . . . 4959 1 1220 . 1 1 110 110 LEU HD11 H 1 1.099 0.03 . 2 . . . . . . . . 4959 1 1221 . 1 1 110 110 LEU HD12 H 1 1.099 0.03 . 2 . . . . . . . . 4959 1 1222 . 1 1 110 110 LEU HD13 H 1 1.099 0.03 . 2 . . . . . . . . 4959 1 1223 . 1 1 110 110 LEU CD2 C 13 24.712 0.3 . 2 . . . . . . . . 4959 1 1224 . 1 1 110 110 LEU HD21 H 1 1.078 0.03 . 2 . . . . . . . . 4959 1 1225 . 1 1 110 110 LEU HD22 H 1 1.078 0.03 . 2 . . . . . . . . 4959 1 1226 . 1 1 110 110 LEU HD23 H 1 1.078 0.03 . 2 . . . . . . . . 4959 1 1227 . 1 1 110 110 LEU C C 13 172.930 0.3 . 1 . . . . . . . . 4959 1 1228 . 1 1 111 111 LYS N N 15 118.415 0.2 . 1 . . . . . . . . 4959 1 1229 . 1 1 111 111 LYS H H 1 7.571 0.03 . 1 . . . . . . . . 4959 1 1230 . 1 1 111 111 LYS CA C 13 57.043 0.3 . 1 . . . . . . . . 4959 1 1231 . 1 1 111 111 LYS HA H 1 4.149 0.03 . 1 . . . . . . . . 4959 1 1232 . 1 1 111 111 LYS CB C 13 29.619 0.3 . 1 . . . . . . . . 4959 1 1233 . 1 1 111 111 LYS HB2 H 1 1.910 0.03 . 1 . . . . . . . . 4959 1 1234 . 1 1 111 111 LYS HB3 H 1 1.910 0.03 . 1 . . . . . . . . 4959 1 1235 . 1 1 111 111 LYS CG C 13 23.283 0.3 . 1 . . . . . . . . 4959 1 1236 . 1 1 111 111 LYS HG2 H 1 1.464 0.03 . 1 . . . . . . . . 4959 1 1237 . 1 1 111 111 LYS HG3 H 1 1.464 0.03 . 1 . . . . . . . . 4959 1 1238 . 1 1 111 111 LYS CD C 13 27.390 0.3 . 1 . . . . . . . . 4959 1 1239 . 1 1 111 111 LYS HD2 H 1 1.740 0.03 . 1 . . . . . . . . 4959 1 1240 . 1 1 111 111 LYS HD3 H 1 1.740 0.03 . 1 . . . . . . . . 4959 1 1241 . 1 1 111 111 LYS CE C 13 39.934 0.3 . 1 . . . . . . . . 4959 1 1242 . 1 1 111 111 LYS HE2 H 1 2.995 0.03 . 1 . . . . . . . . 4959 1 1243 . 1 1 111 111 LYS HE3 H 1 2.995 0.03 . 1 . . . . . . . . 4959 1 1244 . 1 1 111 111 LYS C C 13 173.351 0.3 . 1 . . . . . . . . 4959 1 1245 . 1 1 112 112 ASP N N 15 116.859 0.2 . 1 . . . . . . . . 4959 1 1246 . 1 1 112 112 ASP H H 1 7.296 0.03 . 1 . . . . . . . . 4959 1 1247 . 1 1 112 112 ASP CA C 13 51.086 0.3 . 1 . . . . . . . . 4959 1 1248 . 1 1 112 112 ASP HA H 1 4.971 0.03 . 1 . . . . . . . . 4959 1 1249 . 1 1 112 112 ASP CB C 13 39.897 0.3 . 1 . . . . . . . . 4959 1 1250 . 1 1 112 112 ASP HB2 H 1 2.531 0.03 . 2 . . . . . . . . 4959 1 1251 . 1 1 112 112 ASP HB3 H 1 2.959 0.03 . 2 . . . . . . . . 4959 1 1252 . 1 1 112 112 ASP C C 13 173.531 0.3 . 1 . . . . . . . . 4959 1 1253 . 1 1 113 113 PHE N N 15 125.619 0.2 . 1 . . . . . . . . 4959 1 1254 . 1 1 113 113 PHE H H 1 7.426 0.03 . 1 . . . . . . . . 4959 1 1255 . 1 1 113 113 PHE CA C 13 57.913 0.3 . 1 . . . . . . . . 4959 1 1256 . 1 1 113 113 PHE HA H 1 4.164 0.03 . 1 . . . . . . . . 4959 1 1257 . 1 1 113 113 PHE CB C 13 39.117 0.3 . 1 . . . . . . . . 4959 1 1258 . 1 1 113 113 PHE HB2 H 1 3.249 0.03 . 2 . . . . . . . . 4959 1 1259 . 1 1 113 113 PHE HB3 H 1 2.991 0.03 . 2 . . . . . . . . 4959 1 1260 . 1 1 113 113 PHE CD1 C 13 130.241 0.3 . 1 . . . . . . . . 4959 1 1261 . 1 1 113 113 PHE HD1 H 1 7.347 0.03 . 1 . . . . . . . . 4959 1 1262 . 1 1 113 113 PHE CD2 C 13 130.241 0.3 . 1 . . . . . . . . 4959 1 1263 . 1 1 113 113 PHE HD2 H 1 7.347 0.03 . 1 . . . . . . . . 4959 1 1264 . 1 1 113 113 PHE CE1 C 13 128.802 0.3 . 1 . . . . . . . . 4959 1 1265 . 1 1 113 113 PHE HE1 H 1 7.475 0.03 . 1 . . . . . . . . 4959 1 1266 . 1 1 113 113 PHE CE2 C 13 128.802 0.3 . 1 . . . . . . . . 4959 1 1267 . 1 1 113 113 PHE HE2 H 1 7.475 0.03 . 1 . . . . . . . . 4959 1 1268 . 1 1 113 113 PHE C C 13 171.948 0.3 . 1 . . . . . . . . 4959 1 1269 . 1 1 114 114 GLN N N 15 126.694 0.2 . 1 . . . . . . . . 4959 1 1270 . 1 1 114 114 GLN H H 1 7.977 0.03 . 1 . . . . . . . . 4959 1 1271 . 1 1 114 114 GLN CA C 13 51.694 0.3 . 1 . . . . . . . . 4959 1 1272 . 1 1 114 114 GLN HA H 1 4.570 0.03 . 1 . . . . . . . . 4959 1 1273 . 1 1 114 114 GLN CB C 13 30.074 0.3 . 1 . . . . . . . . 4959 1 1274 . 1 1 114 114 GLN HB2 H 1 1.938 0.03 . 2 . . . . . . . . 4959 1 1275 . 1 1 114 114 GLN CG C 13 30.959 0.3 . 1 . . . . . . . . 4959 1 1276 . 1 1 114 114 GLN HG2 H 1 2.354 0.03 . 2 . . . . . . . . 4959 1 1277 . 1 1 114 114 GLN C C 13 173.855 0.3 . 1 . . . . . . . . 4959 1 1278 . 1 1 115 115 TYR N N 15 121.652 0.2 . 1 . . . . . . . . 4959 1 1279 . 1 1 115 115 TYR H H 1 9.361 0.03 . 1 . . . . . . . . 4959 1 1280 . 1 1 115 115 TYR CA C 13 59.087 0.3 . 1 . . . . . . . . 4959 1 1281 . 1 1 115 115 TYR HA H 1 4.412 0.03 . 1 . . . . . . . . 4959 1 1282 . 1 1 115 115 TYR CB C 13 38.531 0.3 . 1 . . . . . . . . 4959 1 1283 . 1 1 115 115 TYR HB2 H 1 3.563 0.03 . 2 . . . . . . . . 4959 1 1284 . 1 1 115 115 TYR HB3 H 1 3.901 0.03 . 2 . . . . . . . . 4959 1 1285 . 1 1 115 115 TYR CD1 C 13 130.717 0.3 . 1 . . . . . . . . 4959 1 1286 . 1 1 115 115 TYR HD1 H 1 6.828 0.03 . 1 . . . . . . . . 4959 1 1287 . 1 1 115 115 TYR CD2 C 13 130.717 0.3 . 1 . . . . . . . . 4959 1 1288 . 1 1 115 115 TYR HD2 H 1 6.828 0.03 . 1 . . . . . . . . 4959 1 1289 . 1 1 115 115 TYR CE1 C 13 115.242 0.3 . 1 . . . . . . . . 4959 1 1290 . 1 1 115 115 TYR HE1 H 1 6.895 0.03 . 1 . . . . . . . . 4959 1 1291 . 1 1 115 115 TYR CE2 C 13 115.242 0.3 . 1 . . . . . . . . 4959 1 1292 . 1 1 115 115 TYR HE2 H 1 6.895 0.03 . 1 . . . . . . . . 4959 1 1293 . 1 1 115 115 TYR C C 13 170.004 0.3 . 1 . . . . . . . . 4959 1 1294 . 1 1 116 116 VAL N N 15 133.713 0.2 . 1 . . . . . . . . 4959 1 1295 . 1 1 116 116 VAL H H 1 7.741 0.03 . 1 . . . . . . . . 4959 1 1296 . 1 1 116 116 VAL CA C 13 58.434 0.3 . 1 . . . . . . . . 4959 1 1297 . 1 1 116 116 VAL HA H 1 4.363 0.03 . 1 . . . . . . . . 4959 1 1298 . 1 1 116 116 VAL CB C 13 30.617 0.3 . 1 . . . . . . . . 4959 1 1299 . 1 1 116 116 VAL HB H 1 1.621 0.03 . 1 . . . . . . . . 4959 1 1300 . 1 1 116 116 VAL CG1 C 13 18.782 0.3 . 2 . . . . . . . . 4959 1 1301 . 1 1 116 116 VAL HG11 H 1 0.739 0.03 . 2 . . . . . . . . 4959 1 1302 . 1 1 116 116 VAL HG12 H 1 0.739 0.03 . 2 . . . . . . . . 4959 1 1303 . 1 1 116 116 VAL HG13 H 1 0.739 0.03 . 2 . . . . . . . . 4959 1 1304 . 1 1 116 116 VAL CG2 C 13 18.389 0.3 . 2 . . . . . . . . 4959 1 1305 . 1 1 116 116 VAL HG21 H 1 0.699 0.03 . 2 . . . . . . . . 4959 1 1306 . 1 1 116 116 VAL HG22 H 1 0.699 0.03 . 2 . . . . . . . . 4959 1 1307 . 1 1 116 116 VAL HG23 H 1 0.699 0.03 . 2 . . . . . . . . 4959 1 1308 . 1 1 116 116 VAL C C 13 172.218 0.3 . 1 . . . . . . . . 4959 1 1309 . 1 1 117 117 ASP N N 15 126.738 0.2 . 1 . . . . . . . . 4959 1 1310 . 1 1 117 117 ASP H H 1 8.228 0.03 . 1 . . . . . . . . 4959 1 1311 . 1 1 117 117 ASP CA C 13 50.651 0.3 . 1 . . . . . . . . 4959 1 1312 . 1 1 117 117 ASP HA H 1 4.216 0.03 . 1 . . . . . . . . 4959 1 1313 . 1 1 117 117 ASP CB C 13 40.115 0.3 . 1 . . . . . . . . 4959 1 1314 . 1 1 117 117 ASP HB2 H 1 2.600 0.03 . 2 . . . . . . . . 4959 1 1315 . 1 1 117 117 ASP HB3 H 1 3.616 0.03 . 2 . . . . . . . . 4959 1 1316 . 1 1 117 117 ASP C C 13 175.996 0.3 . 1 . . . . . . . . 4959 1 1317 . 1 1 118 118 ARG N N 15 118.302 0.2 . 1 . . . . . . . . 4959 1 1318 . 1 1 118 118 ARG H H 1 8.392 0.03 . 1 . . . . . . . . 4959 1 1319 . 1 1 118 118 ARG CA C 13 56.086 0.3 . 1 . . . . . . . . 4959 1 1320 . 1 1 118 118 ARG HA H 1 4.114 0.03 . 1 . . . . . . . . 4959 1 1321 . 1 1 118 118 ARG CB C 13 27.494 0.3 . 1 . . . . . . . . 4959 1 1322 . 1 1 118 118 ARG HB2 H 1 1.954 0.03 . 2 . . . . . . . . 4959 1 1323 . 1 1 118 118 ARG CG C 13 24.542 0.3 . 1 . . . . . . . . 4959 1 1324 . 1 1 118 118 ARG HG2 H 1 1.740 0.03 . 2 . . . . . . . . 4959 1 1325 . 1 1 118 118 ARG CD C 13 41.203 0.3 . 1 . . . . . . . . 4959 1 1326 . 1 1 118 118 ARG HD2 H 1 3.285 0.03 . 2 . . . . . . . . 4959 1 1327 . 1 1 118 118 ARG C C 13 174.791 0.3 . 1 . . . . . . . . 4959 1 1328 . 1 1 119 119 ASP N N 15 120.016 0.2 . 1 . . . . . . . . 4959 1 1329 . 1 1 119 119 ASP H H 1 8.080 0.03 . 1 . . . . . . . . 4959 1 1330 . 1 1 119 119 ASP CA C 13 51.955 0.3 . 1 . . . . . . . . 4959 1 1331 . 1 1 119 119 ASP HA H 1 4.798 0.03 . 1 . . . . . . . . 4959 1 1332 . 1 1 119 119 ASP CB C 13 39.399 0.3 . 1 . . . . . . . . 4959 1 1333 . 1 1 119 119 ASP HB2 H 1 2.720 0.03 . 2 . . . . . . . . 4959 1 1334 . 1 1 119 119 ASP HB3 H 1 2.869 0.03 . 2 . . . . . . . . 4959 1 1335 . 1 1 119 119 ASP C C 13 174.089 0.3 . 1 . . . . . . . . 4959 1 1336 . 1 1 120 120 GLY N N 15 110.212 0.2 . 1 . . . . . . . . 4959 1 1337 . 1 1 120 120 GLY H H 1 8.211 0.03 . 1 . . . . . . . . 4959 1 1338 . 1 1 120 120 GLY CA C 13 43.041 0.3 . 1 . . . . . . . . 4959 1 1339 . 1 1 120 120 GLY HA2 H 1 4.105 0.03 . 2 . . . . . . . . 4959 1 1340 . 1 1 120 120 GLY HA3 H 1 3.413 0.03 . 2 . . . . . . . . 4959 1 1341 . 1 1 120 120 GLY C C 13 171.894 0.3 . 1 . . . . . . . . 4959 1 1342 . 1 1 121 121 LYS N N 15 124.115 0.2 . 1 . . . . . . . . 4959 1 1343 . 1 1 121 121 LYS H H 1 8.271 0.03 . 1 . . . . . . . . 4959 1 1344 . 1 1 121 121 LYS CA C 13 53.173 0.3 . 1 . . . . . . . . 4959 1 1345 . 1 1 121 121 LYS HA H 1 4.244 0.03 . 1 . . . . . . . . 4959 1 1346 . 1 1 121 121 LYS CB C 13 30.422 0.3 . 1 . . . . . . . . 4959 1 1347 . 1 1 121 121 LYS HB2 H 1 1.714 0.03 . 1 . . . . . . . . 4959 1 1348 . 1 1 121 121 LYS HB3 H 1 1.714 0.03 . 1 . . . . . . . . 4959 1 1349 . 1 1 121 121 LYS CG C 13 22.818 0.3 . 1 . . . . . . . . 4959 1 1350 . 1 1 121 121 LYS HG2 H 1 1.261 0.03 . 2 . . . . . . . . 4959 1 1351 . 1 1 121 121 LYS HG3 H 1 1.114 0.03 . 2 . . . . . . . . 4959 1 1352 . 1 1 121 121 LYS CD C 13 26.661 0.3 . 1 . . . . . . . . 4959 1 1353 . 1 1 121 121 LYS HD2 H 1 1.622 0.03 . 1 . . . . . . . . 4959 1 1354 . 1 1 121 121 LYS HD3 H 1 1.622 0.03 . 1 . . . . . . . . 4959 1 1355 . 1 1 121 121 LYS CE C 13 40.029 0.3 . 1 . . . . . . . . 4959 1 1356 . 1 1 121 121 LYS HE2 H 1 2.948 0.03 . 1 . . . . . . . . 4959 1 1357 . 1 1 121 121 LYS HE3 H 1 2.948 0.03 . 1 . . . . . . . . 4959 1 1358 . 1 1 121 121 LYS C C 13 173.549 0.3 . 1 . . . . . . . . 4959 1 1359 . 1 1 122 122 ASP N N 15 125.878 0.2 . 1 . . . . . . . . 4959 1 1360 . 1 1 122 122 ASP H H 1 8.638 0.03 . 1 . . . . . . . . 4959 1 1361 . 1 1 122 122 ASP CA C 13 51.433 0.3 . 1 . . . . . . . . 4959 1 1362 . 1 1 122 122 ASP HA H 1 4.577 0.03 . 1 . . . . . . . . 4959 1 1363 . 1 1 122 122 ASP CB C 13 37.345 0.3 . 1 . . . . . . . . 4959 1 1364 . 1 1 122 122 ASP HB2 H 1 2.952 0.03 . 2 . . . . . . . . 4959 1 1365 . 1 1 122 122 ASP HB3 H 1 2.546 0.03 . 2 . . . . . . . . 4959 1 1366 . 1 1 122 122 ASP C C 13 173.693 0.3 . 1 . . . . . . . . 4959 1 1367 . 1 1 123 123 GLN N N 15 125.614 0.2 . 1 . . . . . . . . 4959 1 1368 . 1 1 123 123 GLN H H 1 7.747 0.03 . 1 . . . . . . . . 4959 1 1369 . 1 1 123 123 GLN CA C 13 52.434 0.3 . 1 . . . . . . . . 4959 1 1370 . 1 1 123 123 GLN HA H 1 4.410 0.03 . 1 . . . . . . . . 4959 1 1371 . 1 1 123 123 GLN CB C 13 24.822 0.3 . 1 . . . . . . . . 4959 1 1372 . 1 1 123 123 GLN HB2 H 1 0.465 0.03 . 2 . . . . . . . . 4959 1 1373 . 1 1 123 123 GLN HB3 H 1 0.733 0.03 . 2 . . . . . . . . 4959 1 1374 . 1 1 123 123 GLN CG C 13 28.115 0.3 . 1 . . . . . . . . 4959 1 1375 . 1 1 123 123 GLN HG2 H 1 2.164 0.03 . 2 . . . . . . . . 4959 1 1376 . 1 1 123 123 GLN C C 13 176.428 0.3 . 1 . . . . . . . . 4959 1 1377 . 1 1 124 124 GLY N N 15 110.356 0.2 . 1 . . . . . . . . 4959 1 1378 . 1 1 124 124 GLY H H 1 9.113 0.03 . 1 . . . . . . . . 4959 1 1379 . 1 1 124 124 GLY CA C 13 45.520 0.3 . 1 . . . . . . . . 4959 1 1380 . 1 1 124 124 GLY HA2 H 1 3.955 0.03 . 2 . . . . . . . . 4959 1 1381 . 1 1 124 124 GLY HA3 H 1 4.491 0.03 . 2 . . . . . . . . 4959 1 1382 . 1 1 124 124 GLY C C 13 173.279 0.3 . 1 . . . . . . . . 4959 1 1383 . 1 1 125 125 VAL N N 15 124.450 0.2 . 1 . . . . . . . . 4959 1 1384 . 1 1 125 125 VAL H H 1 8.097 0.03 . 1 . . . . . . . . 4959 1 1385 . 1 1 125 125 VAL CA C 13 62.783 0.3 . 1 . . . . . . . . 4959 1 1386 . 1 1 125 125 VAL HA H 1 3.724 0.03 . 1 . . . . . . . . 4959 1 1387 . 1 1 125 125 VAL CB C 13 29.257 0.3 . 1 . . . . . . . . 4959 1 1388 . 1 1 125 125 VAL HB H 1 2.053 0.03 . 1 . . . . . . . . 4959 1 1389 . 1 1 125 125 VAL CG1 C 13 16.506 0.3 . 2 . . . . . . . . 4959 1 1390 . 1 1 125 125 VAL HG11 H 1 0.719 0.03 . 2 . . . . . . . . 4959 1 1391 . 1 1 125 125 VAL HG12 H 1 0.719 0.03 . 2 . . . . . . . . 4959 1 1392 . 1 1 125 125 VAL HG13 H 1 0.719 0.03 . 2 . . . . . . . . 4959 1 1393 . 1 1 125 125 VAL CG2 C 13 19.948 0.3 . 2 . . . . . . . . 4959 1 1394 . 1 1 125 125 VAL HG21 H 1 1.000 0.03 . 2 . . . . . . . . 4959 1 1395 . 1 1 125 125 VAL HG22 H 1 1.000 0.03 . 2 . . . . . . . . 4959 1 1396 . 1 1 125 125 VAL HG23 H 1 1.000 0.03 . 2 . . . . . . . . 4959 1 1397 . 1 1 125 125 VAL C C 13 172.937 0.3 . 1 . . . . . . . . 4959 1 1398 . 1 1 126 126 ASN N N 15 118.380 0.2 . 1 . . . . . . . . 4959 1 1399 . 1 1 126 126 ASN H H 1 7.097 0.03 . 1 . . . . . . . . 4959 1 1400 . 1 1 126 126 ASN CA C 13 54.173 0.3 . 1 . . . . . . . . 4959 1 1401 . 1 1 126 126 ASN HA H 1 4.407 0.03 . 1 . . . . . . . . 4959 1 1402 . 1 1 126 126 ASN CB C 13 36.823 0.3 . 1 . . . . . . . . 4959 1 1403 . 1 1 126 126 ASN HB2 H 1 2.358 0.03 . 2 . . . . . . . . 4959 1 1404 . 1 1 126 126 ASN HB3 H 1 2.392 0.03 . 2 . . . . . . . . 4959 1 1405 . 1 1 126 126 ASN C C 13 175.834 0.3 . 1 . . . . . . . . 4959 1 1406 . 1 1 127 127 VAL N N 15 120.169 0.2 . 1 . . . . . . . . 4959 1 1407 . 1 1 127 127 VAL H H 1 7.048 0.03 . 1 . . . . . . . . 4959 1 1408 . 1 1 127 127 VAL CA C 13 64.000 0.3 . 1 . . . . . . . . 4959 1 1409 . 1 1 127 127 VAL HA H 1 3.595 0.03 . 1 . . . . . . . . 4959 1 1410 . 1 1 127 127 VAL CB C 13 29.953 0.3 . 1 . . . . . . . . 4959 1 1411 . 1 1 127 127 VAL HB H 1 2.221 0.03 . 1 . . . . . . . . 4959 1 1412 . 1 1 127 127 VAL CG1 C 13 20.781 0.3 . 2 . . . . . . . . 4959 1 1413 . 1 1 127 127 VAL HG11 H 1 0.797 0.03 . 2 . . . . . . . . 4959 1 1414 . 1 1 127 127 VAL HG12 H 1 0.797 0.03 . 2 . . . . . . . . 4959 1 1415 . 1 1 127 127 VAL HG13 H 1 0.797 0.03 . 2 . . . . . . . . 4959 1 1416 . 1 1 127 127 VAL CG2 C 13 19.612 0.3 . 2 . . . . . . . . 4959 1 1417 . 1 1 127 127 VAL HG21 H 1 0.654 0.03 . 2 . . . . . . . . 4959 1 1418 . 1 1 127 127 VAL HG22 H 1 0.654 0.03 . 2 . . . . . . . . 4959 1 1419 . 1 1 127 127 VAL HG23 H 1 0.654 0.03 . 2 . . . . . . . . 4959 1 1420 . 1 1 127 127 VAL C C 13 174.413 0.3 . 1 . . . . . . . . 4959 1 1421 . 1 1 128 128 ARG N N 15 119.893 0.2 . 1 . . . . . . . . 4959 1 1422 . 1 1 128 128 ARG H H 1 8.340 0.03 . 1 . . . . . . . . 4959 1 1423 . 1 1 128 128 ARG CA C 13 58.652 0.3 . 1 . . . . . . . . 4959 1 1424 . 1 1 128 128 ARG HA H 1 4.177 0.03 . 1 . . . . . . . . 4959 1 1425 . 1 1 128 128 ARG CB C 13 29.518 0.3 . 1 . . . . . . . . 4959 1 1426 . 1 1 128 128 ARG HB2 H 1 1.815 0.03 . 2 . . . . . . . . 4959 1 1427 . 1 1 128 128 ARG C C 13 177.615 0.3 . 1 . . . . . . . . 4959 1 1428 . 1 1 129 129 GLU N N 15 117.153 0.2 . 1 . . . . . . . . 4959 1 1429 . 1 1 129 129 GLU H H 1 8.362 0.03 . 1 . . . . . . . . 4959 1 1430 . 1 1 129 129 GLU CA C 13 56.825 0.3 . 1 . . . . . . . . 4959 1 1431 . 1 1 129 129 GLU HA H 1 4.084 0.03 . 1 . . . . . . . . 4959 1 1432 . 1 1 129 129 GLU CB C 13 27.083 0.3 . 1 . . . . . . . . 4959 1 1433 . 1 1 129 129 GLU HB2 H 1 2.127 0.03 . 1 . . . . . . . . 4959 1 1434 . 1 1 129 129 GLU HB3 H 1 2.127 0.03 . 1 . . . . . . . . 4959 1 1435 . 1 1 129 129 GLU CG C 13 34.428 0.3 . 1 . . . . . . . . 4959 1 1436 . 1 1 129 129 GLU HG2 H 1 2.449 0.03 . 1 . . . . . . . . 4959 1 1437 . 1 1 129 129 GLU HG3 H 1 2.449 0.03 . 1 . . . . . . . . 4959 1 1438 . 1 1 129 129 GLU C C 13 177.202 0.3 . 1 . . . . . . . . 4959 1 1439 . 1 1 130 130 LYS N N 15 121.950 0.2 . 1 . . . . . . . . 4959 1 1440 . 1 1 130 130 LYS H H 1 7.487 0.03 . 1 . . . . . . . . 4959 1 1441 . 1 1 130 130 LYS CA C 13 55.043 0.3 . 1 . . . . . . . . 4959 1 1442 . 1 1 130 130 LYS HA H 1 4.315 0.03 . 1 . . . . . . . . 4959 1 1443 . 1 1 130 130 LYS CB C 13 28.735 0.3 . 1 . . . . . . . . 4959 1 1444 . 1 1 130 130 LYS HB2 H 1 2.103 0.03 . 2 . . . . . . . . 4959 1 1445 . 1 1 130 130 LYS C C 13 175.672 0.3 . 1 . . . . . . . . 4959 1 1446 . 1 1 131 131 ALA N N 15 124.159 0.2 . 1 . . . . . . . . 4959 1 1447 . 1 1 131 131 ALA H H 1 8.677 0.03 . 1 . . . . . . . . 4959 1 1448 . 1 1 131 131 ALA CA C 13 53.477 0.3 . 1 . . . . . . . . 4959 1 1449 . 1 1 131 131 ALA HA H 1 3.974 0.03 . 1 . . . . . . . . 4959 1 1450 . 1 1 131 131 ALA CB C 13 15.951 0.3 . 1 . . . . . . . . 4959 1 1451 . 1 1 131 131 ALA HB1 H 1 1.388 0.03 . 1 . . . . . . . . 4959 1 1452 . 1 1 131 131 ALA HB2 H 1 1.388 0.03 . 1 . . . . . . . . 4959 1 1453 . 1 1 131 131 ALA HB3 H 1 1.388 0.03 . 1 . . . . . . . . 4959 1 1454 . 1 1 131 131 ALA C C 13 177.166 0.3 . 1 . . . . . . . . 4959 1 1455 . 1 1 132 132 LYS N N 15 117.516 0.2 . 1 . . . . . . . . 4959 1 1456 . 1 1 132 132 LYS H H 1 7.604 0.03 . 1 . . . . . . . . 4959 1 1457 . 1 1 132 132 LYS CA C 13 57.913 0.3 . 1 . . . . . . . . 4959 1 1458 . 1 1 132 132 LYS HA H 1 3.853 0.03 . 1 . . . . . . . . 4959 1 1459 . 1 1 132 132 LYS CB C 13 30.562 0.3 . 1 . . . . . . . . 4959 1 1460 . 1 1 132 132 LYS HB2 H 1 2.016 0.03 . 1 . . . . . . . . 4959 1 1461 . 1 1 132 132 LYS HB3 H 1 2.016 0.03 . 1 . . . . . . . . 4959 1 1462 . 1 1 132 132 LYS CG C 13 23.347 0.3 . 1 . . . . . . . . 4959 1 1463 . 1 1 132 132 LYS HG2 H 1 1.757 0.03 . 1 . . . . . . . . 4959 1 1464 . 1 1 132 132 LYS HG3 H 1 1.757 0.03 . 1 . . . . . . . . 4959 1 1465 . 1 1 132 132 LYS CD C 13 27.302 0.3 . 1 . . . . . . . . 4959 1 1466 . 1 1 132 132 LYS HD2 H 1 1.773 0.03 . 1 . . . . . . . . 4959 1 1467 . 1 1 132 132 LYS HD3 H 1 1.773 0.03 . 1 . . . . . . . . 4959 1 1468 . 1 1 132 132 LYS CE C 13 39.911 0.3 . 1 . . . . . . . . 4959 1 1469 . 1 1 132 132 LYS HE2 H 1 2.986 0.03 . 1 . . . . . . . . 4959 1 1470 . 1 1 132 132 LYS HE3 H 1 2.986 0.03 . 1 . . . . . . . . 4959 1 1471 . 1 1 132 132 LYS C C 13 175.090 0.3 . 1 . . . . . . . . 4959 1 1472 . 1 1 133 133 GLN N N 15 120.334 0.2 . 1 . . . . . . . . 4959 1 1473 . 1 1 133 133 GLN H H 1 7.514 0.03 . 1 . . . . . . . . 4959 1 1474 . 1 1 133 133 GLN CA C 13 56.434 0.3 . 1 . . . . . . . . 4959 1 1475 . 1 1 133 133 GLN HA H 1 4.112 0.03 . 1 . . . . . . . . 4959 1 1476 . 1 1 133 133 GLN CB C 13 26.126 0.3 . 1 . . . . . . . . 4959 1 1477 . 1 1 133 133 GLN HB2 H 1 2.210 0.03 . 2 . . . . . . . . 4959 1 1478 . 1 1 133 133 GLN HB3 H 1 2.201 0.03 . 2 . . . . . . . . 4959 1 1479 . 1 1 133 133 GLN CG C 13 34.231 0.3 . 1 . . . . . . . . 4959 1 1480 . 1 1 133 133 GLN HG2 H 1 2.341 0.03 . 2 . . . . . . . . 4959 1 1481 . 1 1 133 133 GLN C C 13 176.644 0.3 . 1 . . . . . . . . 4959 1 1482 . 1 1 134 134 LEU N N 15 124.227 0.2 . 1 . . . . . . . . 4959 1 1483 . 1 1 134 134 LEU H H 1 8.544 0.03 . 1 . . . . . . . . 4959 1 1484 . 1 1 134 134 LEU CA C 13 55.521 0.3 . 1 . . . . . . . . 4959 1 1485 . 1 1 134 134 LEU HA H 1 4.094 0.03 . 1 . . . . . . . . 4959 1 1486 . 1 1 134 134 LEU CB C 13 40.302 0.3 . 1 . . . . . . . . 4959 1 1487 . 1 1 134 134 LEU HB2 H 1 1.619 0.03 . 2 . . . . . . . . 4959 1 1488 . 1 1 134 134 LEU HB3 H 1 1.765 0.03 . 2 . . . . . . . . 4959 1 1489 . 1 1 134 134 LEU CG C 13 25.589 0.3 . 1 . . . . . . . . 4959 1 1490 . 1 1 134 134 LEU HG H 1 1.644 0.03 . 1 . . . . . . . . 4959 1 1491 . 1 1 134 134 LEU CD1 C 13 22.148 0.3 . 2 . . . . . . . . 4959 1 1492 . 1 1 134 134 LEU HD11 H 1 0.909 0.03 . 2 . . . . . . . . 4959 1 1493 . 1 1 134 134 LEU HD12 H 1 0.909 0.03 . 2 . . . . . . . . 4959 1 1494 . 1 1 134 134 LEU HD13 H 1 0.909 0.03 . 2 . . . . . . . . 4959 1 1495 . 1 1 134 134 LEU CD2 C 13 22.549 0.3 . 2 . . . . . . . . 4959 1 1496 . 1 1 134 134 LEU HD21 H 1 0.870 0.03 . 2 . . . . . . . . 4959 1 1497 . 1 1 134 134 LEU HD22 H 1 0.870 0.03 . 2 . . . . . . . . 4959 1 1498 . 1 1 134 134 LEU HD23 H 1 0.870 0.03 . 2 . . . . . . . . 4959 1 1499 . 1 1 134 134 LEU C C 13 176.302 0.3 . 1 . . . . . . . . 4959 1 1500 . 1 1 135 135 VAL N N 15 119.684 0.2 . 1 . . . . . . . . 4959 1 1501 . 1 1 135 135 VAL H H 1 8.405 0.03 . 1 . . . . . . . . 4959 1 1502 . 1 1 135 135 VAL CA C 13 65.131 0.3 . 1 . . . . . . . . 4959 1 1503 . 1 1 135 135 VAL HA H 1 3.493 0.03 . 1 . . . . . . . . 4959 1 1504 . 1 1 135 135 VAL CB C 13 29.344 0.3 . 1 . . . . . . . . 4959 1 1505 . 1 1 135 135 VAL HB H 1 2.086 0.03 . 1 . . . . . . . . 4959 1 1506 . 1 1 135 135 VAL CG1 C 13 21.113 0.3 . 2 . . . . . . . . 4959 1 1507 . 1 1 135 135 VAL HG11 H 1 1.009 0.03 . 2 . . . . . . . . 4959 1 1508 . 1 1 135 135 VAL HG12 H 1 1.009 0.03 . 2 . . . . . . . . 4959 1 1509 . 1 1 135 135 VAL HG13 H 1 1.009 0.03 . 2 . . . . . . . . 4959 1 1510 . 1 1 135 135 VAL CG2 C 13 19.303 0.3 . 2 . . . . . . . . 4959 1 1511 . 1 1 135 135 VAL HG21 H 1 0.964 0.03 . 2 . . . . . . . . 4959 1 1512 . 1 1 135 135 VAL HG22 H 1 0.964 0.03 . 2 . . . . . . . . 4959 1 1513 . 1 1 135 135 VAL HG23 H 1 0.964 0.03 . 2 . . . . . . . . 4959 1 1514 . 1 1 135 135 VAL C C 13 175.186 0.3 . 1 . . . . . . . . 4959 1 1515 . 1 1 136 136 ALA N N 15 121.283 0.2 . 1 . . . . . . . . 4959 1 1516 . 1 1 136 136 ALA H H 1 7.374 0.03 . 1 . . . . . . . . 4959 1 1517 . 1 1 136 136 ALA CA C 13 52.955 0.3 . 1 . . . . . . . . 4959 1 1518 . 1 1 136 136 ALA HA H 1 4.066 0.03 . 1 . . . . . . . . 4959 1 1519 . 1 1 136 136 ALA CB C 13 15.690 0.3 . 1 . . . . . . . . 4959 1 1520 . 1 1 136 136 ALA HB1 H 1 1.495 0.03 . 1 . . . . . . . . 4959 1 1521 . 1 1 136 136 ALA HB2 H 1 1.495 0.03 . 1 . . . . . . . . 4959 1 1522 . 1 1 136 136 ALA HB3 H 1 1.495 0.03 . 1 . . . . . . . . 4959 1 1523 . 1 1 136 136 ALA C C 13 177.831 0.3 . 1 . . . . . . . . 4959 1 1524 . 1 1 137 137 LEU N N 15 120.474 0.2 . 1 . . . . . . . . 4959 1 1525 . 1 1 137 137 LEU H H 1 7.707 0.03 . 1 . . . . . . . . 4959 1 1526 . 1 1 137 137 LEU CA C 13 55.390 0.3 . 1 . . . . . . . . 4959 1 1527 . 1 1 137 137 LEU HA H 1 4.186 0.03 . 1 . . . . . . . . 4959 1 1528 . 1 1 137 137 LEU CB C 13 40.128 0.3 . 1 . . . . . . . . 4959 1 1529 . 1 1 137 137 LEU HB2 H 1 1.992 0.03 . 2 . . . . . . . . 4959 1 1530 . 1 1 137 137 LEU HB3 H 1 1.821 0.03 . 2 . . . . . . . . 4959 1 1531 . 1 1 137 137 LEU CG C 13 25.000 0.3 . 1 . . . . . . . . 4959 1 1532 . 1 1 137 137 LEU HG H 1 1.672 0.03 . 1 . . . . . . . . 4959 1 1533 . 1 1 137 137 LEU CD1 C 13 22.026 0.3 . 2 . . . . . . . . 4959 1 1534 . 1 1 137 137 LEU HD11 H 1 0.959 0.03 . 2 . . . . . . . . 4959 1 1535 . 1 1 137 137 LEU HD12 H 1 0.959 0.03 . 2 . . . . . . . . 4959 1 1536 . 1 1 137 137 LEU HD13 H 1 0.959 0.03 . 2 . . . . . . . . 4959 1 1537 . 1 1 137 137 LEU CD2 C 13 23.726 0.3 . 2 . . . . . . . . 4959 1 1538 . 1 1 137 137 LEU HD21 H 1 0.939 0.03 . 2 . . . . . . . . 4959 1 1539 . 1 1 137 137 LEU HD22 H 1 0.939 0.03 . 2 . . . . . . . . 4959 1 1540 . 1 1 137 137 LEU HD23 H 1 0.939 0.03 . 2 . . . . . . . . 4959 1 1541 . 1 1 137 137 LEU C C 13 176.727 0.3 . 1 . . . . . . . . 4959 1 1542 . 1 1 138 138 LEU N N 15 119.274 0.2 . 1 . . . . . . . . 4959 1 1543 . 1 1 138 138 LEU H H 1 7.984 0.03 . 1 . . . . . . . . 4959 1 1544 . 1 1 138 138 LEU CA C 13 54.303 0.3 . 1 . . . . . . . . 4959 1 1545 . 1 1 138 138 LEU HA H 1 4.084 0.03 . 1 . . . . . . . . 4959 1 1546 . 1 1 138 138 LEU CB C 13 40.390 0.3 . 1 . . . . . . . . 4959 1 1547 . 1 1 138 138 LEU HB2 H 1 1.448 0.03 . 2 . . . . . . . . 4959 1 1548 . 1 1 138 138 LEU HB3 H 1 1.952 0.03 . 2 . . . . . . . . 4959 1 1549 . 1 1 138 138 LEU CG C 13 24.868 0.3 . 1 . . . . . . . . 4959 1 1550 . 1 1 138 138 LEU HG H 1 1.872 0.03 . 1 . . . . . . . . 4959 1 1551 . 1 1 138 138 LEU CD1 C 13 21.371 0.3 . 2 . . . . . . . . 4959 1 1552 . 1 1 138 138 LEU HD11 H 1 0.855 0.03 . 2 . . . . . . . . 4959 1 1553 . 1 1 138 138 LEU HD12 H 1 0.855 0.03 . 2 . . . . . . . . 4959 1 1554 . 1 1 138 138 LEU HD13 H 1 0.855 0.03 . 2 . . . . . . . . 4959 1 1555 . 1 1 138 138 LEU CD2 C 13 23.408 0.3 . 2 . . . . . . . . 4959 1 1556 . 1 1 138 138 LEU HD21 H 1 0.801 0.03 . 2 . . . . . . . . 4959 1 1557 . 1 1 138 138 LEU HD22 H 1 0.801 0.03 . 2 . . . . . . . . 4959 1 1558 . 1 1 138 138 LEU HD23 H 1 0.801 0.03 . 2 . . . . . . . . 4959 1 1559 . 1 1 138 138 LEU C C 13 175.582 0.3 . 1 . . . . . . . . 4959 1 1560 . 1 1 139 139 ARG N N 15 119.422 0.2 . 1 . . . . . . . . 4959 1 1561 . 1 1 139 139 ARG H H 1 7.935 0.03 . 1 . . . . . . . . 4959 1 1562 . 1 1 139 139 ARG CA C 13 55.043 0.3 . 1 . . . . . . . . 4959 1 1563 . 1 1 139 139 ARG HA H 1 4.214 0.03 . 1 . . . . . . . . 4959 1 1564 . 1 1 139 139 ARG CB C 13 28.561 0.3 . 1 . . . . . . . . 4959 1 1565 . 1 1 139 139 ARG HB2 H 1 1.925 0.03 . 2 . . . . . . . . 4959 1 1566 . 1 1 139 139 ARG C C 13 174.269 0.3 . 1 . . . . . . . . 4959 1 1567 . 1 1 140 140 ASP N N 15 121.864 0.2 . 1 . . . . . . . . 4959 1 1568 . 1 1 140 140 ASP H H 1 7.911 0.03 . 1 . . . . . . . . 4959 1 1569 . 1 1 140 140 ASP CA C 13 52.521 0.3 . 1 . . . . . . . . 4959 1 1570 . 1 1 140 140 ASP HA H 1 4.638 0.03 . 1 . . . . . . . . 4959 1 1571 . 1 1 140 140 ASP CB C 13 38.737 0.3 . 1 . . . . . . . . 4959 1 1572 . 1 1 140 140 ASP HB2 H 1 2.893 0.03 . 2 . . . . . . . . 4959 1 1573 . 1 1 140 140 ASP HB3 H 1 2.690 0.03 . 2 . . . . . . . . 4959 1 1574 . 1 1 140 140 ASP C C 13 174.305 0.3 . 1 . . . . . . . . 4959 1 1575 . 1 1 141 141 GLU N N 15 122.497 0.2 . 1 . . . . . . . . 4959 1 1576 . 1 1 141 141 GLU H H 1 8.328 0.03 . 1 . . . . . . . . 4959 1 1577 . 1 1 141 141 GLU CA C 13 55.347 0.3 . 1 . . . . . . . . 4959 1 1578 . 1 1 141 141 GLU HA H 1 4.195 0.03 . 1 . . . . . . . . 4959 1 1579 . 1 1 141 141 GLU CB C 13 28.040 0.3 . 1 . . . . . . . . 4959 1 1580 . 1 1 141 141 GLU HB2 H 1 2.074 0.03 . 2 . . . . . . . . 4959 1 1581 . 1 1 141 141 GLU HB3 H 1 1.965 0.03 . 2 . . . . . . . . 4959 1 1582 . 1 1 141 141 GLU CG C 13 34.073 0.3 . 1 . . . . . . . . 4959 1 1583 . 1 1 141 141 GLU HG2 H 1 2.284 0.03 . 2 . . . . . . . . 4959 1 1584 . 1 1 141 141 GLU C C 13 174.773 0.3 . 1 . . . . . . . . 4959 1 1585 . 1 1 142 142 ASP N N 15 121.687 0.2 . 1 . . . . . . . . 4959 1 1586 . 1 1 142 142 ASP H H 1 8.313 0.03 . 1 . . . . . . . . 4959 1 1587 . 1 1 142 142 ASP CA C 13 52.955 0.3 . 1 . . . . . . . . 4959 1 1588 . 1 1 142 142 ASP HA H 1 4.574 0.03 . 1 . . . . . . . . 4959 1 1589 . 1 1 142 142 ASP CB C 13 38.824 0.3 . 1 . . . . . . . . 4959 1 1590 . 1 1 142 142 ASP HB2 H 1 2.669 0.03 . 2 . . . . . . . . 4959 1 1591 . 1 1 142 142 ASP HB3 H 1 2.718 0.03 . 2 . . . . . . . . 4959 1 1592 . 1 1 142 142 ASP C C 13 174.575 0.3 . 1 . . . . . . . . 4959 1 1593 . 1 1 143 143 ARG N N 15 121.748 0.2 . 1 . . . . . . . . 4959 1 1594 . 1 1 143 143 ARG H H 1 7.967 0.03 . 1 . . . . . . . . 4959 1 1595 . 1 1 143 143 ARG CA C 13 54.651 0.3 . 1 . . . . . . . . 4959 1 1596 . 1 1 143 143 ARG HA H 1 4.232 0.03 . 1 . . . . . . . . 4959 1 1597 . 1 1 143 143 ARG CB C 13 28.214 0.3 . 1 . . . . . . . . 4959 1 1598 . 1 1 143 143 ARG HB2 H 1 1.841 0.03 . 2 . . . . . . . . 4959 1 1599 . 1 1 143 143 ARG HG2 H 1 1.637 0.03 . 2 . . . . . . . . 4959 1 1600 . 1 1 143 143 ARG HD2 H 1 3.235 0.03 . 2 . . . . . . . . 4959 1 1601 . 1 1 143 143 ARG C C 13 174.539 0.3 . 1 . . . . . . . . 4959 1 1602 . 1 1 144 144 LEU N N 15 122.886 0.2 . 1 . . . . . . . . 4959 1 1603 . 1 1 144 144 LEU H H 1 8.114 0.03 . 1 . . . . . . . . 4959 1 1604 . 1 1 144 144 LEU CA C 13 53.434 0.3 . 1 . . . . . . . . 4959 1 1605 . 1 1 144 144 LEU HA H 1 4.280 0.03 . 1 . . . . . . . . 4959 1 1606 . 1 1 144 144 LEU CB C 13 39.867 0.3 . 1 . . . . . . . . 4959 1 1607 . 1 1 144 144 LEU HB2 H 1 1.612 0.03 . 2 . . . . . . . . 4959 1 1608 . 1 1 144 144 LEU HB3 H 1 1.587 0.03 . 2 . . . . . . . . 4959 1 1609 . 1 1 144 144 LEU CG C 13 24.991 0.3 . 1 . . . . . . . . 4959 1 1610 . 1 1 144 144 LEU HG H 1 1.644 0.03 . 1 . . . . . . . . 4959 1 1611 . 1 1 144 144 LEU CD1 C 13 22.704 0.3 . 2 . . . . . . . . 4959 1 1612 . 1 1 144 144 LEU HD11 H 1 0.924 0.03 . 2 . . . . . . . . 4959 1 1613 . 1 1 144 144 LEU HD12 H 1 0.924 0.03 . 2 . . . . . . . . 4959 1 1614 . 1 1 144 144 LEU HD13 H 1 0.924 0.03 . 2 . . . . . . . . 4959 1 1615 . 1 1 144 144 LEU CD2 C 13 21.289 0.3 . 2 . . . . . . . . 4959 1 1616 . 1 1 144 144 LEU HD21 H 1 0.867 0.03 . 2 . . . . . . . . 4959 1 1617 . 1 1 144 144 LEU HD22 H 1 0.867 0.03 . 2 . . . . . . . . 4959 1 1618 . 1 1 144 144 LEU HD23 H 1 0.867 0.03 . 2 . . . . . . . . 4959 1 1619 . 1 1 144 144 LEU C C 13 175.402 0.3 . 1 . . . . . . . . 4959 1 1620 . 1 1 145 145 ARG N N 15 122.038 0.2 . 1 . . . . . . . . 4959 1 1621 . 1 1 145 145 ARG H H 1 8.032 0.03 . 1 . . . . . . . . 4959 1 1622 . 1 1 145 145 ARG CA C 13 54.173 0.3 . 1 . . . . . . . . 4959 1 1623 . 1 1 145 145 ARG HA H 1 4.309 0.03 . 1 . . . . . . . . 4959 1 1624 . 1 1 145 145 ARG CB C 13 28.561 0.3 . 1 . . . . . . . . 4959 1 1625 . 1 1 145 145 ARG HB2 H 1 1.873 0.03 . 2 . . . . . . . . 4959 1 1626 . 1 1 145 145 ARG HB3 H 1 1.798 0.03 . 2 . . . . . . . . 4959 1 1627 . 1 1 145 145 ARG CG C 13 25.056 0.3 . 1 . . . . . . . . 4959 1 1628 . 1 1 145 145 ARG HG2 H 1 1.652 0.03 . 1 . . . . . . . . 4959 1 1629 . 1 1 145 145 ARG HG3 H 1 1.652 0.03 . 1 . . . . . . . . 4959 1 1630 . 1 1 145 145 ARG CD C 13 41.132 0.3 . 1 . . . . . . . . 4959 1 1631 . 1 1 145 145 ARG HD2 H 1 3.215 0.03 . 1 . . . . . . . . 4959 1 1632 . 1 1 145 145 ARG HD3 H 1 3.215 0.03 . 1 . . . . . . . . 4959 1 1633 . 1 1 145 145 ARG C C 13 174.035 0.3 . 1 . . . . . . . . 4959 1 1634 . 1 1 146 146 GLU N N 15 122.676 0.2 . 1 . . . . . . . . 4959 1 1635 . 1 1 146 146 GLU H H 1 8.207 0.03 . 1 . . . . . . . . 4959 1 1636 . 1 1 146 146 GLU CA C 13 54.303 0.3 . 1 . . . . . . . . 4959 1 1637 . 1 1 146 146 GLU HA H 1 4.300 0.03 . 1 . . . . . . . . 4959 1 1638 . 1 1 146 146 GLU CB C 13 28.214 0.3 . 1 . . . . . . . . 4959 1 1639 . 1 1 146 146 GLU HB2 H 1 1.956 0.03 . 2 . . . . . . . . 4959 1 1640 . 1 1 146 146 GLU HB3 H 1 2.084 0.03 . 2 . . . . . . . . 4959 1 1641 . 1 1 146 146 GLU CG C 13 34.006 0.3 . 1 . . . . . . . . 4959 1 1642 . 1 1 146 146 GLU HG2 H 1 2.287 0.03 . 1 . . . . . . . . 4959 1 1643 . 1 1 146 146 GLU HG3 H 1 2.287 0.03 . 1 . . . . . . . . 4959 1 1644 . 1 1 146 146 GLU C C 13 174.071 0.3 . 1 . . . . . . . . 4959 1 1645 . 1 1 147 147 GLU N N 15 123.560 0.2 . 1 . . . . . . . . 4959 1 1646 . 1 1 147 147 GLU H H 1 8.310 0.03 . 1 . . . . . . . . 4959 1 1647 . 1 1 147 147 GLU CA C 13 54.303 0.3 . 1 . . . . . . . . 4959 1 1648 . 1 1 147 147 GLU HA H 1 4.327 0.03 . 1 . . . . . . . . 4959 1 1649 . 1 1 147 147 GLU CB C 13 27.971 0.3 . 1 . . . . . . . . 4959 1 1650 . 1 1 147 147 GLU HB2 H 1 1.962 0.03 . 2 . . . . . . . . 4959 1 1651 . 1 1 147 147 GLU HB3 H 1 2.084 0.03 . 2 . . . . . . . . 4959 1 1652 . 1 1 147 147 GLU CG C 13 34.016 0.3 . 1 . . . . . . . . 4959 1 1653 . 1 1 147 147 GLU HG2 H 1 2.284 0.03 . 1 . . . . . . . . 4959 1 1654 . 1 1 147 147 GLU HG3 H 1 2.284 0.03 . 1 . . . . . . . . 4959 1 1655 . 1 1 147 147 GLU C C 13 173.225 0.3 . 1 . . . . . . . . 4959 1 1656 . 1 1 148 148 ARG N N 15 128.700 0.2 . 1 . . . . . . . . 4959 1 1657 . 1 1 148 148 ARG H H 1 7.884 0.03 . 1 . . . . . . . . 4959 1 1658 . 1 1 148 148 ARG CA C 13 55.146 0.3 . 1 . . . . . . . . 4959 1 1659 . 1 1 148 148 ARG HA H 1 4.198 0.03 . 1 . . . . . . . . 4959 1 1660 . 1 1 148 148 ARG CB C 13 29.207 0.3 . 1 . . . . . . . . 4959 1 1661 . 1 1 148 148 ARG HB2 H 1 1.717 0.03 . 2 . . . . . . . . 4959 1 1662 . 1 1 148 148 ARG HB3 H 1 1.859 0.03 . 2 . . . . . . . . 4959 1 1663 . 1 1 148 148 ARG CG C 13 24.990 0.3 . 1 . . . . . . . . 4959 1 1664 . 1 1 148 148 ARG HG2 H 1 1.612 0.03 . 1 . . . . . . . . 4959 1 1665 . 1 1 148 148 ARG HG3 H 1 1.612 0.03 . 1 . . . . . . . . 4959 1 1666 . 1 1 148 148 ARG CD C 13 41.177 0.3 . 1 . . . . . . . . 4959 1 1667 . 1 1 148 148 ARG HD2 H 1 3.198 0.03 . 1 . . . . . . . . 4959 1 1668 . 1 1 148 148 ARG HD3 H 1 3.198 0.03 . 1 . . . . . . . . 4959 1 stop_ save_