################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4789 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _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 $sample_1 . 4789 1 . . 2 $sample_2 . 4789 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER N N 15 116.877 0.109 . 1 . . . . . . . . 4789 1 2 . 1 1 1 1 SER H H 1 8.378 0.016 . 1 . . . . . . . . 4789 1 3 . 1 1 1 1 SER CA C 13 56.759 0.138 . 1 . . . . . . . . 4789 1 4 . 1 1 1 1 SER HA H 1 4.956 0.016 . 1 . . . . . . . . 4789 1 5 . 1 1 2 2 PRO CA C 13 65.150 0.138 . 1 . . . . . . . . 4789 1 6 . 1 1 2 2 PRO HA H 1 4.483 0.016 . 1 . . . . . . . . 4789 1 7 . 1 1 2 2 PRO CB C 13 31.996 0.138 . 1 . . . . . . . . 4789 1 8 . 1 1 2 2 PRO HB2 H 1 2.029 0.016 . 2 . . . . . . . . 4789 1 9 . 1 1 2 2 PRO HB3 H 1 2.461 0.016 . 2 . . . . . . . . 4789 1 10 . 1 1 2 2 PRO CG C 13 27.841 0.138 . 1 . . . . . . . . 4789 1 11 . 1 1 2 2 PRO HG2 H 1 2.150 0.016 . 2 . . . . . . . . 4789 1 12 . 1 1 2 2 PRO HG3 H 1 2.247 0.016 . 2 . . . . . . . . 4789 1 13 . 1 1 2 2 PRO CD C 13 50.736 0.138 . 1 . . . . . . . . 4789 1 14 . 1 1 2 2 PRO HD2 H 1 4.043 0.016 . 2 . . . . . . . . 4789 1 15 . 1 1 2 2 PRO HD3 H 1 4.014 0.016 . 2 . . . . . . . . 4789 1 16 . 1 1 2 2 PRO C C 13 178.970 0.138 . 1 . . . . . . . . 4789 1 17 . 1 1 3 3 GLN N N 15 117.574 0.109 . 1 . . . . . . . . 4789 1 18 . 1 1 3 3 GLN H H 1 8.568 0.016 . 1 . . . . . . . . 4789 1 19 . 1 1 3 3 GLN CA C 13 58.833 0.138 . 1 . . . . . . . . 4789 1 20 . 1 1 3 3 GLN HA H 1 4.188 0.016 . 1 . . . . . . . . 4789 1 21 . 1 1 3 3 GLN CB C 13 28.168 0.138 . 1 . . . . . . . . 4789 1 22 . 1 1 3 3 GLN HB2 H 1 2.210 0.016 . 2 . . . . . . . . 4789 1 23 . 1 1 3 3 GLN HB3 H 1 2.129 0.016 . 2 . . . . . . . . 4789 1 24 . 1 1 3 3 GLN CG C 13 34.744 0.138 . 1 . . . . . . . . 4789 1 25 . 1 1 3 3 GLN HG2 H 1 2.549 0.016 . 2 . . . . . . . . 4789 1 26 . 1 1 3 3 GLN NE2 N 15 112.242 0.109 . 1 . . . . . . . . 4789 1 27 . 1 1 3 3 GLN HE21 H 1 7.607 0.016 . 2 . . . . . . . . 4789 1 28 . 1 1 3 3 GLN HE22 H 1 6.965 0.016 . 2 . . . . . . . . 4789 1 29 . 1 1 3 3 GLN C C 13 178.307 0.138 . 1 . . . . . . . . 4789 1 30 . 1 1 4 4 GLU N N 15 122.318 0.109 . 1 . . . . . . . . 4789 1 31 . 1 1 4 4 GLU H H 1 8.018 0.016 . 1 . . . . . . . . 4789 1 32 . 1 1 4 4 GLU CA C 13 58.466 0.138 . 1 . . . . . . . . 4789 1 33 . 1 1 4 4 GLU HA H 1 4.286 0.016 . 1 . . . . . . . . 4789 1 34 . 1 1 4 4 GLU CB C 13 30.016 0.138 . 1 . . . . . . . . 4789 1 35 . 1 1 4 4 GLU CG C 13 36.764 0.138 . 1 . . . . . . . . 4789 1 36 . 1 1 4 4 GLU HG2 H 1 2.419 0.016 . 2 . . . . . . . . 4789 1 37 . 1 1 4 4 GLU C C 13 178.224 0.138 . 1 . . . . . . . . 4789 1 38 . 1 1 5 5 SER N N 15 115.732 0.109 . 1 . . . . . . . . 4789 1 39 . 1 1 5 5 SER H H 1 8.453 0.016 . 1 . . . . . . . . 4789 1 40 . 1 1 5 5 SER CA C 13 61.149 0.138 . 1 . . . . . . . . 4789 1 41 . 1 1 5 5 SER HA H 1 4.320 0.016 . 1 . . . . . . . . 4789 1 42 . 1 1 5 5 SER CB C 13 63.155 0.138 . 1 . . . . . . . . 4789 1 43 . 1 1 5 5 SER C C 13 177.153 0.138 . 1 . . . . . . . . 4789 1 44 . 1 1 6 6 ARG N N 15 122.216 0.109 . 1 . . . . . . . . 4789 1 45 . 1 1 6 6 ARG H H 1 8.140 0.016 . 1 . . . . . . . . 4789 1 46 . 1 1 6 6 ARG CA C 13 58.651 0.138 . 1 . . . . . . . . 4789 1 47 . 1 1 6 6 ARG HA H 1 4.242 0.016 . 1 . . . . . . . . 4789 1 48 . 1 1 6 6 ARG CB C 13 30.219 0.138 . 1 . . . . . . . . 4789 1 49 . 1 1 6 6 ARG CG C 13 27.531 0.138 . 1 . . . . . . . . 4789 1 50 . 1 1 6 6 ARG HG2 H 1 1.822 0.016 . 2 . . . . . . . . 4789 1 51 . 1 1 6 6 ARG CD C 13 43.305 0.138 . 1 . . . . . . . . 4789 1 52 . 1 1 6 6 ARG HD2 H 1 3.287 0.016 . 2 . . . . . . . . 4789 1 53 . 1 1 7 7 ARG N N 15 120.257 0.109 . 1 . . . . . . . . 4789 1 54 . 1 1 7 7 ARG H H 1 7.889 0.016 . 1 . . . . . . . . 4789 1 55 . 1 1 7 7 ARG CA C 13 59.391 0.138 . 1 . . . . . . . . 4789 1 56 . 1 1 7 7 ARG HA H 1 4.071 0.016 . 1 . . . . . . . . 4789 1 57 . 1 1 7 7 ARG CB C 13 30.169 0.138 . 1 . . . . . . . . 4789 1 58 . 1 1 7 7 ARG CG C 13 27.530 0.138 . 1 . . . . . . . . 4789 1 59 . 1 1 7 7 ARG HG2 H 1 1.645 0.016 . 2 . . . . . . . . 4789 1 60 . 1 1 7 7 ARG HG3 H 1 1.821 0.016 . 2 . . . . . . . . 4789 1 61 . 1 1 7 7 ARG CD C 13 43.304 0.138 . 1 . . . . . . . . 4789 1 62 . 1 1 7 7 ARG HD2 H 1 3.287 0.016 . 2 . . . . . . . . 4789 1 63 . 1 1 7 7 ARG C C 13 178.455 0.138 . 1 . . . . . . . . 4789 1 64 . 1 1 8 8 LEU N N 15 120.169 0.109 . 1 . . . . . . . . 4789 1 65 . 1 1 8 8 LEU H H 1 8.188 0.016 . 1 . . . . . . . . 4789 1 66 . 1 1 8 8 LEU CA C 13 57.415 0.138 . 1 . . . . . . . . 4789 1 67 . 1 1 8 8 LEU HA H 1 4.223 0.016 . 1 . . . . . . . . 4789 1 68 . 1 1 8 8 LEU CB C 13 41.916 0.138 . 1 . . . . . . . . 4789 1 69 . 1 1 8 8 LEU HB2 H 1 1.877 0.016 . 2 . . . . . . . . 4789 1 70 . 1 1 8 8 LEU HB3 H 1 1.690 0.016 . 2 . . . . . . . . 4789 1 71 . 1 1 8 8 LEU CG C 13 27.371 0.138 . 1 . . . . . . . . 4789 1 72 . 1 1 8 8 LEU HG H 1 1.705 0.016 . 1 . . . . . . . . 4789 1 73 . 1 1 8 8 LEU CD1 C 13 23.629 0.138 . 2 . . . . . . . . 4789 1 74 . 1 1 8 8 LEU HD11 H 1 0.961 0.016 . 2 . . . . . . . . 4789 1 75 . 1 1 8 8 LEU HD12 H 1 0.961 0.016 . 2 . . . . . . . . 4789 1 76 . 1 1 8 8 LEU HD13 H 1 0.961 0.016 . 2 . . . . . . . . 4789 1 77 . 1 1 8 8 LEU CD2 C 13 24.952 0.138 . 2 . . . . . . . . 4789 1 78 . 1 1 8 8 LEU HD21 H 1 1.019 0.016 . 2 . . . . . . . . 4789 1 79 . 1 1 8 8 LEU HD22 H 1 1.019 0.016 . 2 . . . . . . . . 4789 1 80 . 1 1 8 8 LEU HD23 H 1 1.019 0.016 . 2 . . . . . . . . 4789 1 81 . 1 1 8 8 LEU C C 13 179.054 0.138 . 1 . . . . . . . . 4789 1 82 . 1 1 9 9 SER N N 15 115.508 0.109 . 1 . . . . . . . . 4789 1 83 . 1 1 9 9 SER H H 1 8.084 0.016 . 1 . . . . . . . . 4789 1 84 . 1 1 9 9 SER CA C 13 61.160 0.138 . 1 . . . . . . . . 4789 1 85 . 1 1 9 9 SER HA H 1 4.320 0.016 . 1 . . . . . . . . 4789 1 86 . 1 1 9 9 SER CB C 13 63.081 0.138 . 1 . . . . . . . . 4789 1 87 . 1 1 9 9 SER HB2 H 1 4.377 0.016 . 2 . . . . . . . . 4789 1 88 . 1 1 9 9 SER HB3 H 1 4.110 0.016 . 2 . . . . . . . . 4789 1 89 . 1 1 9 9 SER C C 13 177.275 0.138 . 1 . . . . . . . . 4789 1 90 . 1 1 10 10 ILE N N 15 123.199 0.109 . 1 . . . . . . . . 4789 1 91 . 1 1 10 10 ILE H H 1 8.154 0.016 . 1 . . . . . . . . 4789 1 92 . 1 1 10 10 ILE CA C 13 64.909 0.138 . 1 . . . . . . . . 4789 1 93 . 1 1 10 10 ILE HA H 1 3.818 0.016 . 1 . . . . . . . . 4789 1 94 . 1 1 10 10 ILE CB C 13 33.141 0.138 . 1 . . . . . . . . 4789 1 95 . 1 1 10 10 ILE CG1 C 13 27.759 0.138 . 2 . . . . . . . . 4789 1 96 . 1 1 10 10 ILE HG12 H 1 1.522 0.016 . 1 . . . . . . . . 4789 1 97 . 1 1 10 10 ILE HG13 H 1 1.522 0.016 . 1 . . . . . . . . 4789 1 98 . 1 1 10 10 ILE CD1 C 13 12.883 0.138 . 1 . . . . . . . . 4789 1 99 . 1 1 10 10 ILE HD11 H 1 0.684 0.016 . 1 . . . . . . . . 4789 1 100 . 1 1 10 10 ILE HD12 H 1 0.684 0.016 . 1 . . . . . . . . 4789 1 101 . 1 1 10 10 ILE HD13 H 1 0.684 0.016 . 1 . . . . . . . . 4789 1 102 . 1 1 10 10 ILE CG2 C 13 17.077 0.138 . 2 . . . . . . . . 4789 1 103 . 1 1 10 10 ILE HG21 H 1 0.846 0.016 . 1 . . . . . . . . 4789 1 104 . 1 1 10 10 ILE HG22 H 1 0.846 0.016 . 1 . . . . . . . . 4789 1 105 . 1 1 10 10 ILE HG23 H 1 0.846 0.016 . 1 . . . . . . . . 4789 1 106 . 1 1 10 10 ILE C C 13 177.752 0.138 . 1 . . . . . . . . 4789 1 107 . 1 1 11 11 GLN N N 15 119.475 0.109 . 1 . . . . . . . . 4789 1 108 . 1 1 11 11 GLN H H 1 8.131 0.016 . 1 . . . . . . . . 4789 1 109 . 1 1 11 11 GLN CA C 13 59.521 0.138 . 1 . . . . . . . . 4789 1 110 . 1 1 11 11 GLN HA H 1 4.083 0.016 . 1 . . . . . . . . 4789 1 111 . 1 1 11 11 GLN CB C 13 28.149 0.138 . 1 . . . . . . . . 4789 1 112 . 1 1 11 11 GLN CG C 13 34.052 0.138 . 1 . . . . . . . . 4789 1 113 . 1 1 11 11 GLN HG2 H 1 2.570 0.016 . 2 . . . . . . . . 4789 1 114 . 1 1 11 11 GLN NE2 N 15 111.702 0.109 . 1 . . . . . . . . 4789 1 115 . 1 1 11 11 GLN HE21 H 1 7.578 0.016 . 2 . . . . . . . . 4789 1 116 . 1 1 11 11 GLN HE22 H 1 6.936 0.016 . 2 . . . . . . . . 4789 1 117 . 1 1 11 11 GLN C C 13 179.043 0.138 . 1 . . . . . . . . 4789 1 118 . 1 1 12 12 ARG N N 15 119.328 0.109 . 1 . . . . . . . . 4789 1 119 . 1 1 12 12 ARG H H 1 8.215 0.016 . 1 . . . . . . . . 4789 1 120 . 1 1 12 12 ARG CA C 13 59.164 0.138 . 1 . . . . . . . . 4789 1 121 . 1 1 12 12 ARG HA H 1 4.254 0.016 . 1 . . . . . . . . 4789 1 122 . 1 1 12 12 ARG CB C 13 30.032 0.138 . 1 . . . . . . . . 4789 1 123 . 1 1 12 12 ARG CG C 13 27.831 0.138 . 1 . . . . . . . . 4789 1 124 . 1 1 12 12 ARG HG2 H 1 1.948 0.016 . 2 . . . . . . . . 4789 1 125 . 1 1 12 12 ARG HG3 H 1 1.789 0.016 . 2 . . . . . . . . 4789 1 126 . 1 1 12 12 ARG CD C 13 43.486 0.138 . 1 . . . . . . . . 4789 1 127 . 1 1 12 12 ARG HD2 H 1 3.335 0.016 . 2 . . . . . . . . 4789 1 128 . 1 1 12 12 ARG C C 13 179.494 0.138 . 1 . . . . . . . . 4789 1 129 . 1 1 13 13 CYS N N 15 119.774 0.109 . 1 . . . . . . . . 4789 1 130 . 1 1 13 13 CYS H H 1 8.085 0.016 . 1 . . . . . . . . 4789 1 131 . 1 1 13 13 CYS CA C 13 63.169 0.138 . 1 . . . . . . . . 4789 1 132 . 1 1 13 13 CYS HA H 1 4.329 0.016 . 1 . . . . . . . . 4789 1 133 . 1 1 13 13 CYS CB C 13 27.117 0.138 . 1 . . . . . . . . 4789 1 134 . 1 1 13 13 CYS HB2 H 1 2.978 0.016 . 2 . . . . . . . . 4789 1 135 . 1 1 13 13 CYS HB3 H 1 3.297 0.016 . 2 . . . . . . . . 4789 1 136 . 1 1 13 13 CYS C C 13 177.663 0.138 . 1 . . . . . . . . 4789 1 137 . 1 1 14 14 ILE N N 15 120.504 0.109 . 1 . . . . . . . . 4789 1 138 . 1 1 14 14 ILE H H 1 8.695 0.016 . 1 . . . . . . . . 4789 1 139 . 1 1 14 14 ILE CA C 13 64.950 0.138 . 1 . . . . . . . . 4789 1 140 . 1 1 14 14 ILE HA H 1 3.862 0.016 . 1 . . . . . . . . 4789 1 141 . 1 1 14 14 ILE CB C 13 37.225 0.138 . 1 . . . . . . . . 4789 1 142 . 1 1 14 14 ILE CG1 C 13 29.580 0.138 . 2 . . . . . . . . 4789 1 143 . 1 1 14 14 ILE HG12 H 1 1.421 0.016 . 1 . . . . . . . . 4789 1 144 . 1 1 14 14 ILE HG13 H 1 1.421 0.016 . 1 . . . . . . . . 4789 1 145 . 1 1 14 14 ILE CD1 C 13 14.251 0.138 . 1 . . . . . . . . 4789 1 146 . 1 1 14 14 ILE HD11 H 1 1.092 0.016 . 1 . . . . . . . . 4789 1 147 . 1 1 14 14 ILE HD12 H 1 1.092 0.016 . 1 . . . . . . . . 4789 1 148 . 1 1 14 14 ILE HD13 H 1 1.092 0.016 . 1 . . . . . . . . 4789 1 149 . 1 1 14 14 ILE CG2 C 13 18.659 0.138 . 2 . . . . . . . . 4789 1 150 . 1 1 14 14 ILE HG21 H 1 1.602 0.016 . 1 . . . . . . . . 4789 1 151 . 1 1 14 14 ILE HG22 H 1 1.602 0.016 . 1 . . . . . . . . 4789 1 152 . 1 1 14 14 ILE HG23 H 1 1.602 0.016 . 1 . . . . . . . . 4789 1 153 . 1 1 14 14 ILE C C 13 177.588 0.138 . 1 . . . . . . . . 4789 1 154 . 1 1 15 15 GLN N N 15 119.623 0.109 . 1 . . . . . . . . 4789 1 155 . 1 1 15 15 GLN H H 1 8.304 0.016 . 1 . . . . . . . . 4789 1 156 . 1 1 15 15 GLN CA C 13 59.406 0.138 . 1 . . . . . . . . 4789 1 157 . 1 1 15 15 GLN HA H 1 4.188 0.016 . 1 . . . . . . . . 4789 1 158 . 1 1 15 15 GLN CB C 13 28.030 0.138 . 1 . . . . . . . . 4789 1 159 . 1 1 15 15 GLN HB2 H 1 2.390 0.016 . 2 . . . . . . . . 4789 1 160 . 1 1 15 15 GLN HB3 H 1 2.287 0.016 . 2 . . . . . . . . 4789 1 161 . 1 1 15 15 GLN CG C 13 34.125 0.138 . 1 . . . . . . . . 4789 1 162 . 1 1 15 15 GLN HG2 H 1 2.696 0.016 . 2 . . . . . . . . 4789 1 163 . 1 1 15 15 GLN HG3 H 1 2.569 0.016 . 2 . . . . . . . . 4789 1 164 . 1 1 15 15 GLN NE2 N 15 111.398 0.109 . 1 . . . . . . . . 4789 1 165 . 1 1 15 15 GLN HE21 H 1 7.550 0.016 . 2 . . . . . . . . 4789 1 166 . 1 1 15 15 GLN HE22 H 1 6.905 0.016 . 2 . . . . . . . . 4789 1 167 . 1 1 15 15 GLN C C 13 179.606 0.138 . 1 . . . . . . . . 4789 1 168 . 1 1 16 16 SER N N 15 116.069 0.109 . 1 . . . . . . . . 4789 1 169 . 1 1 16 16 SER H H 1 8.062 0.016 . 1 . . . . . . . . 4789 1 170 . 1 1 16 16 SER CA C 13 62.537 0.138 . 1 . . . . . . . . 4789 1 171 . 1 1 16 16 SER HA H 1 4.240 0.016 . 1 . . . . . . . . 4789 1 172 . 1 1 16 16 SER C C 13 175.839 0.138 . 1 . . . . . . . . 4789 1 173 . 1 1 17 17 LEU N N 15 125.259 0.109 . 1 . . . . . . . . 4789 1 174 . 1 1 17 17 LEU H H 1 8.118 0.016 . 1 . . . . . . . . 4789 1 175 . 1 1 17 17 LEU CA C 13 58.631 0.138 . 1 . . . . . . . . 4789 1 176 . 1 1 17 17 LEU HA H 1 4.158 0.016 . 1 . . . . . . . . 4789 1 177 . 1 1 17 17 LEU CB C 13 42.304 0.138 . 1 . . . . . . . . 4789 1 178 . 1 1 17 17 LEU HB2 H 1 2.374 0.016 . 2 . . . . . . . . 4789 1 179 . 1 1 17 17 LEU HB3 H 1 1.687 0.016 . 2 . . . . . . . . 4789 1 180 . 1 1 17 17 LEU CG C 13 27.513 0.138 . 1 . . . . . . . . 4789 1 181 . 1 1 17 17 LEU HG H 1 1.537 0.016 . 1 . . . . . . . . 4789 1 182 . 1 1 17 17 LEU CD1 C 13 27.064 0.138 . 2 . . . . . . . . 4789 1 183 . 1 1 17 17 LEU HD11 H 1 0.981 0.016 . 2 . . . . . . . . 4789 1 184 . 1 1 17 17 LEU HD12 H 1 0.981 0.016 . 2 . . . . . . . . 4789 1 185 . 1 1 17 17 LEU HD13 H 1 0.981 0.016 . 2 . . . . . . . . 4789 1 186 . 1 1 17 17 LEU CD2 C 13 23.589 0.138 . 2 . . . . . . . . 4789 1 187 . 1 1 17 17 LEU HD21 H 1 0.918 0.016 . 2 . . . . . . . . 4789 1 188 . 1 1 17 17 LEU HD22 H 1 0.918 0.016 . 2 . . . . . . . . 4789 1 189 . 1 1 17 17 LEU HD23 H 1 0.918 0.016 . 2 . . . . . . . . 4789 1 190 . 1 1 17 17 LEU C C 13 177.455 0.138 . 1 . . . . . . . . 4789 1 191 . 1 1 18 18 VAL N N 15 119.413 0.109 . 1 . . . . . . . . 4789 1 192 . 1 1 18 18 VAL H H 1 8.659 0.016 . 1 . . . . . . . . 4789 1 193 . 1 1 18 18 VAL CA C 13 67.410 0.138 . 1 . . . . . . . . 4789 1 194 . 1 1 18 18 VAL HA H 1 3.333 0.016 . 1 . . . . . . . . 4789 1 195 . 1 1 18 18 VAL CB C 13 31.761 0.138 . 1 . . . . . . . . 4789 1 196 . 1 1 18 18 VAL HB H 1 2.189 0.016 . 1 . . . . . . . . 4789 1 197 . 1 1 18 18 VAL CG2 C 13 23.240 0.138 . 2 . . . . . . . . 4789 1 198 . 1 1 18 18 VAL HG21 H 1 1.036 0.016 . 2 . . . . . . . . 4789 1 199 . 1 1 18 18 VAL HG22 H 1 1.036 0.016 . 2 . . . . . . . . 4789 1 200 . 1 1 18 18 VAL HG23 H 1 1.036 0.016 . 2 . . . . . . . . 4789 1 201 . 1 1 18 18 VAL CG1 C 13 21.039 0.138 . 2 . . . . . . . . 4789 1 202 . 1 1 18 18 VAL HG11 H 1 0.987 0.016 . 2 . . . . . . . . 4789 1 203 . 1 1 18 18 VAL HG12 H 1 0.987 0.016 . 2 . . . . . . . . 4789 1 204 . 1 1 18 18 VAL HG13 H 1 0.987 0.016 . 2 . . . . . . . . 4789 1 205 . 1 1 18 18 VAL C C 13 178.595 0.138 . 1 . . . . . . . . 4789 1 206 . 1 1 19 19 HIS N N 15 116.024 0.109 . 1 . . . . . . . . 4789 1 207 . 1 1 19 19 HIS H H 1 7.986 0.016 . 1 . . . . . . . . 4789 1 208 . 1 1 19 19 HIS CA C 13 60.186 0.138 . 1 . . . . . . . . 4789 1 209 . 1 1 19 19 HIS HA H 1 4.282 0.016 . 1 . . . . . . . . 4789 1 210 . 1 1 19 19 HIS CD2 C 13 129.363 0.138 . 1 . . . . . . . . 4789 1 211 . 1 1 19 19 HIS HD2 H 1 7.326 0.016 . 2 . . . . . . . . 4789 1 212 . 1 1 19 19 HIS NE2 N 15 209.040 0.109 . 1 . . . . . . . . 4789 1 213 . 1 1 19 19 HIS CE1 C 13 139.327 0.138 . 1 . . . . . . . . 4789 1 214 . 1 1 19 19 HIS HE1 H 1 7.990 0.016 . 1 . . . . . . . . 4789 1 215 . 1 1 19 19 HIS ND1 N 15 163.719 0.109 . 1 . . . . . . . . 4789 1 216 . 1 1 19 19 HIS C C 13 177.832 0.138 . 1 . . . . . . . . 4789 1 217 . 1 1 20 20 ALA N N 15 121.211 0.109 . 1 . . . . . . . . 4789 1 218 . 1 1 20 20 ALA H H 1 8.520 0.016 . 1 . . . . . . . . 4789 1 219 . 1 1 20 20 ALA CA C 13 55.325 0.138 . 1 . . . . . . . . 4789 1 220 . 1 1 20 20 ALA HA H 1 4.373 0.016 . 1 . . . . . . . . 4789 1 221 . 1 1 20 20 ALA CB C 13 20.073 0.138 . 1 . . . . . . . . 4789 1 222 . 1 1 20 20 ALA HB1 H 1 1.748 0.016 . 1 . . . . . . . . 4789 1 223 . 1 1 20 20 ALA HB2 H 1 1.748 0.016 . 1 . . . . . . . . 4789 1 224 . 1 1 20 20 ALA HB3 H 1 1.748 0.016 . 1 . . . . . . . . 4789 1 225 . 1 1 20 20 ALA C C 13 179.682 0.138 . 1 . . . . . . . . 4789 1 226 . 1 1 21 21 CYS N N 15 111.876 0.109 . 1 . . . . . . . . 4789 1 227 . 1 1 21 21 CYS H H 1 7.892 0.016 . 1 . . . . . . . . 4789 1 228 . 1 1 21 21 CYS CA C 13 62.249 0.138 . 1 . . . . . . . . 4789 1 229 . 1 1 21 21 CYS HA H 1 4.321 0.016 . 1 . . . . . . . . 4789 1 230 . 1 1 21 21 CYS CB C 13 27.111 0.138 . 1 . . . . . . . . 4789 1 231 . 1 1 21 21 CYS HB2 H 1 2.786 0.016 . 2 . . . . . . . . 4789 1 232 . 1 1 21 21 CYS HB3 H 1 2.979 0.016 . 2 . . . . . . . . 4789 1 233 . 1 1 21 21 CYS C C 13 174.583 0.138 . 1 . . . . . . . . 4789 1 234 . 1 1 22 22 GLN N N 15 115.768 0.109 . 1 . . . . . . . . 4789 1 235 . 1 1 22 22 GLN H H 1 7.357 0.016 . 1 . . . . . . . . 4789 1 236 . 1 1 22 22 GLN CA C 13 54.890 0.138 . 1 . . . . . . . . 4789 1 237 . 1 1 22 22 GLN HA H 1 4.565 0.016 . 1 . . . . . . . . 4789 1 238 . 1 1 22 22 GLN CB C 13 30.552 0.138 . 1 . . . . . . . . 4789 1 239 . 1 1 22 22 GLN HB2 H 1 2.187 0.016 . 2 . . . . . . . . 4789 1 240 . 1 1 22 22 GLN HB3 H 1 2.083 0.016 . 2 . . . . . . . . 4789 1 241 . 1 1 22 22 GLN CG C 13 33.500 0.138 . 1 . . . . . . . . 4789 1 242 . 1 1 22 22 GLN HG2 H 1 2.351 0.016 . 2 . . . . . . . . 4789 1 243 . 1 1 22 22 GLN HG3 H 1 2.538 0.016 . 2 . . . . . . . . 4789 1 244 . 1 1 22 22 GLN NE2 N 15 112.281 0.109 . 1 . . . . . . . . 4789 1 245 . 1 1 22 22 GLN HE21 H 1 7.365 0.016 . 2 . . . . . . . . 4789 1 246 . 1 1 22 22 GLN HE22 H 1 6.991 0.016 . 2 . . . . . . . . 4789 1 247 . 1 1 22 22 GLN C C 13 174.242 0.138 . 1 . . . . . . . . 4789 1 248 . 1 1 23 23 CYS N N 15 124.137 0.109 . 1 . . . . . . . . 4789 1 249 . 1 1 23 23 CYS H H 1 7.276 0.016 . 1 . . . . . . . . 4789 1 250 . 1 1 23 23 CYS CA C 13 60.550 0.138 . 1 . . . . . . . . 4789 1 251 . 1 1 23 23 CYS HA H 1 3.976 0.016 . 1 . . . . . . . . 4789 1 252 . 1 1 23 23 CYS CB C 13 29.209 0.138 . 1 . . . . . . . . 4789 1 253 . 1 1 23 23 CYS HB2 H 1 2.612 0.016 . 2 . . . . . . . . 4789 1 254 . 1 1 23 23 CYS HB3 H 1 2.086 0.016 . 2 . . . . . . . . 4789 1 255 . 1 1 23 23 CYS C C 13 176.127 0.138 . 1 . . . . . . . . 4789 1 256 . 1 1 24 24 ARG N N 15 129.458 0.109 . 1 . . . . . . . . 4789 1 257 . 1 1 24 24 ARG H H 1 8.928 0.016 . 1 . . . . . . . . 4789 1 258 . 1 1 24 24 ARG CA C 13 54.679 0.138 . 1 . . . . . . . . 4789 1 259 . 1 1 24 24 ARG HA H 1 4.649 0.016 . 1 . . . . . . . . 4789 1 260 . 1 1 24 24 ARG CB C 13 29.990 0.138 . 1 . . . . . . . . 4789 1 261 . 1 1 24 24 ARG HB2 H 1 1.709 0.016 . 2 . . . . . . . . 4789 1 262 . 1 1 24 24 ARG HB3 H 1 2.218 0.016 . 2 . . . . . . . . 4789 1 263 . 1 1 24 24 ARG CG C 13 26.954 0.138 . 1 . . . . . . . . 4789 1 264 . 1 1 24 24 ARG HG2 H 1 1.647 0.016 . 2 . . . . . . . . 4789 1 265 . 1 1 24 24 ARG CD C 13 43.116 0.138 . 1 . . . . . . . . 4789 1 266 . 1 1 24 24 ARG HD2 H 1 3.247 0.016 . 2 . . . . . . . . 4789 1 267 . 1 1 25 25 ASN N N 15 120.271 0.109 . 1 . . . . . . . . 4789 1 268 . 1 1 25 25 ASN H H 1 7.890 0.016 . 1 . . . . . . . . 4789 1 269 . 1 1 25 25 ASN CA C 13 51.821 0.138 . 1 . . . . . . . . 4789 1 270 . 1 1 25 25 ASN HA H 1 4.915 0.016 . 1 . . . . . . . . 4789 1 271 . 1 1 25 25 ASN CB C 13 38.994 0.138 . 1 . . . . . . . . 4789 1 272 . 1 1 25 25 ASN HB2 H 1 3.064 0.016 . 2 . . . . . . . . 4789 1 273 . 1 1 25 25 ASN HB3 H 1 2.910 0.016 . 2 . . . . . . . . 4789 1 274 . 1 1 25 25 ASN ND2 N 15 111.452 0.109 . 1 . . . . . . . . 4789 1 275 . 1 1 25 25 ASN HD21 H 1 7.081 0.016 . 2 . . . . . . . . 4789 1 276 . 1 1 25 25 ASN HD22 H 1 7.876 0.016 . 2 . . . . . . . . 4789 1 277 . 1 1 25 25 ASN C C 13 175.703 0.138 . 1 . . . . . . . . 4789 1 278 . 1 1 26 26 ALA N N 15 130.302 0.109 . 1 . . . . . . . . 4789 1 279 . 1 1 26 26 ALA H H 1 9.201 0.016 . 1 . . . . . . . . 4789 1 280 . 1 1 26 26 ALA CA C 13 54.332 0.138 . 1 . . . . . . . . 4789 1 281 . 1 1 26 26 ALA HA H 1 4.148 0.016 . 1 . . . . . . . . 4789 1 282 . 1 1 26 26 ALA CB C 13 18.414 0.138 . 1 . . . . . . . . 4789 1 283 . 1 1 26 26 ALA HB1 H 1 1.506 0.016 . 1 . . . . . . . . 4789 1 284 . 1 1 26 26 ALA HB2 H 1 1.506 0.016 . 1 . . . . . . . . 4789 1 285 . 1 1 26 26 ALA HB3 H 1 1.506 0.016 . 1 . . . . . . . . 4789 1 286 . 1 1 26 26 ALA C C 13 178.058 0.138 . 1 . . . . . . . . 4789 1 287 . 1 1 27 27 ASN N N 15 113.911 0.109 . 1 . . . . . . . . 4789 1 288 . 1 1 27 27 ASN H H 1 8.080 0.016 . 1 . . . . . . . . 4789 1 289 . 1 1 27 27 ASN CA C 13 51.825 0.138 . 1 . . . . . . . . 4789 1 290 . 1 1 27 27 ASN HA H 1 4.915 0.016 . 1 . . . . . . . . 4789 1 291 . 1 1 27 27 ASN CB C 13 38.814 0.138 . 1 . . . . . . . . 4789 1 292 . 1 1 27 27 ASN HB2 H 1 2.680 0.016 . 2 . . . . . . . . 4789 1 293 . 1 1 27 27 ASN HB3 H 1 3.028 0.016 . 2 . . . . . . . . 4789 1 294 . 1 1 27 27 ASN ND2 N 15 113.275 0.109 . 1 . . . . . . . . 4789 1 295 . 1 1 27 27 ASN HD21 H 1 7.674 0.016 . 2 . . . . . . . . 4789 1 296 . 1 1 27 27 ASN HD22 H 1 6.949 0.016 . 2 . . . . . . . . 4789 1 297 . 1 1 27 27 ASN C C 13 174.145 0.138 . 1 . . . . . . . . 4789 1 298 . 1 1 28 28 CYS N N 15 123.130 0.109 . 1 . . . . . . . . 4789 1 299 . 1 1 28 28 CYS H H 1 7.178 0.016 . 1 . . . . . . . . 4789 1 300 . 1 1 28 28 CYS CA C 13 61.677 0.138 . 1 . . . . . . . . 4789 1 301 . 1 1 28 28 CYS HA H 1 4.108 0.016 . 1 . . . . . . . . 4789 1 302 . 1 1 28 28 CYS CB C 13 30.045 0.138 . 1 . . . . . . . . 4789 1 303 . 1 1 28 28 CYS HB2 H 1 2.157 0.016 . 2 . . . . . . . . 4789 1 304 . 1 1 28 28 CYS HB3 H 1 3.086 0.016 . 2 . . . . . . . . 4789 1 305 . 1 1 28 28 CYS C C 13 176.873 0.138 . 1 . . . . . . . . 4789 1 306 . 1 1 29 29 SER N N 15 124.558 0.109 . 1 . . . . . . . . 4789 1 307 . 1 1 29 29 SER H H 1 8.874 0.016 . 1 . . . . . . . . 4789 1 308 . 1 1 29 29 SER CA C 13 57.813 0.138 . 1 . . . . . . . . 4789 1 309 . 1 1 29 29 SER HA H 1 4.679 0.016 . 1 . . . . . . . . 4789 1 310 . 1 1 29 29 SER CB C 13 63.995 0.138 . 1 . . . . . . . . 4789 1 311 . 1 1 29 29 SER HB2 H 1 4.179 0.016 . 2 . . . . . . . . 4789 1 312 . 1 1 29 29 SER HB3 H 1 3.932 0.016 . 2 . . . . . . . . 4789 1 313 . 1 1 29 29 SER C C 13 174.805 0.138 . 1 . . . . . . . . 4789 1 314 . 1 1 30 30 LEU N N 15 128.600 0.109 . 1 . . . . . . . . 4789 1 315 . 1 1 30 30 LEU H H 1 8.574 0.016 . 1 . . . . . . . . 4789 1 316 . 1 1 30 30 LEU CA C 13 54.321 0.138 . 1 . . . . . . . . 4789 1 317 . 1 1 30 30 LEU HA H 1 4.566 0.016 . 1 . . . . . . . . 4789 1 318 . 1 1 30 30 LEU CB C 13 40.817 0.138 . 1 . . . . . . . . 4789 1 319 . 1 1 30 30 LEU HB2 H 1 1.713 0.016 . 2 . . . . . . . . 4789 1 320 . 1 1 30 30 LEU HB3 H 1 1.456 0.016 . 2 . . . . . . . . 4789 1 321 . 1 1 30 30 LEU CG C 13 27.331 0.138 . 1 . . . . . . . . 4789 1 322 . 1 1 30 30 LEU CD1 C 13 24.401 0.138 . 2 . . . . . . . . 4789 1 323 . 1 1 30 30 LEU HD11 H 1 0.629 0.016 . 2 . . . . . . . . 4789 1 324 . 1 1 30 30 LEU HD12 H 1 0.629 0.016 . 2 . . . . . . . . 4789 1 325 . 1 1 30 30 LEU HD13 H 1 0.629 0.016 . 2 . . . . . . . . 4789 1 326 . 1 1 30 30 LEU CD2 C 13 23.043 0.138 . 2 . . . . . . . . 4789 1 327 . 1 1 30 30 LEU HD21 H 1 0.716 0.016 . 2 . . . . . . . . 4789 1 328 . 1 1 30 30 LEU HD22 H 1 0.716 0.016 . 2 . . . . . . . . 4789 1 329 . 1 1 30 30 LEU HD23 H 1 0.716 0.016 . 2 . . . . . . . . 4789 1 330 . 1 1 31 31 PRO CA C 13 65.299 0.138 . 1 . . . . . . . . 4789 1 331 . 1 1 31 31 PRO HA H 1 4.400 0.016 . 1 . . . . . . . . 4789 1 332 . 1 1 31 31 PRO CB C 13 31.934 0.138 . 1 . . . . . . . . 4789 1 333 . 1 1 31 31 PRO HB2 H 1 2.055 0.016 . 2 . . . . . . . . 4789 1 334 . 1 1 31 31 PRO HB3 H 1 2.476 0.016 . 2 . . . . . . . . 4789 1 335 . 1 1 31 31 PRO CG C 13 27.836 0.138 . 1 . . . . . . . . 4789 1 336 . 1 1 31 31 PRO HG2 H 1 2.248 0.016 . 2 . . . . . . . . 4789 1 337 . 1 1 31 31 PRO HG3 H 1 2.146 0.016 . 2 . . . . . . . . 4789 1 338 . 1 1 31 31 PRO CD C 13 51.013 0.138 . 1 . . . . . . . . 4789 1 339 . 1 1 31 31 PRO HD2 H 1 4.265 0.016 . 2 . . . . . . . . 4789 1 340 . 1 1 31 31 PRO HD3 H 1 3.811 0.016 . 2 . . . . . . . . 4789 1 341 . 1 1 31 31 PRO C C 13 178.361 0.138 . 1 . . . . . . . . 4789 1 342 . 1 1 32 32 SER N N 15 111.993 0.109 . 1 . . . . . . . . 4789 1 343 . 1 1 32 32 SER H H 1 8.479 0.016 . 1 . . . . . . . . 4789 1 344 . 1 1 32 32 SER CA C 13 60.199 0.138 . 1 . . . . . . . . 4789 1 345 . 1 1 32 32 SER HA H 1 4.321 0.016 . 1 . . . . . . . . 4789 1 346 . 1 1 32 32 SER CB C 13 62.909 0.138 . 1 . . . . . . . . 4789 1 347 . 1 1 32 32 SER HB2 H 1 4.058 0.016 . 2 . . . . . . . . 4789 1 348 . 1 1 32 32 SER HB3 H 1 4.144 0.016 . 2 . . . . . . . . 4789 1 349 . 1 1 32 32 SER C C 13 174.216 0.138 . 1 . . . . . . . . 4789 1 350 . 1 1 33 33 CYS N N 15 125.889 0.109 . 1 . . . . . . . . 4789 1 351 . 1 1 33 33 CYS H H 1 7.572 0.016 . 1 . . . . . . . . 4789 1 352 . 1 1 33 33 CYS CA C 13 63.970 0.138 . 1 . . . . . . . . 4789 1 353 . 1 1 33 33 CYS HA H 1 4.263 0.016 . 1 . . . . . . . . 4789 1 354 . 1 1 33 33 CYS CB C 13 29.629 0.138 . 1 . . . . . . . . 4789 1 355 . 1 1 33 33 CYS HB2 H 1 3.326 0.016 . 2 . . . . . . . . 4789 1 356 . 1 1 33 33 CYS HB3 H 1 2.862 0.016 . 2 . . . . . . . . 4789 1 357 . 1 1 33 33 CYS C C 13 176.617 0.138 . 1 . . . . . . . . 4789 1 358 . 1 1 34 34 GLN N N 15 116.045 0.109 . 1 . . . . . . . . 4789 1 359 . 1 1 34 34 GLN H H 1 8.204 0.016 . 1 . . . . . . . . 4789 1 360 . 1 1 34 34 GLN CA C 13 59.715 0.138 . 1 . . . . . . . . 4789 1 361 . 1 1 34 34 GLN HA H 1 4.048 0.016 . 1 . . . . . . . . 4789 1 362 . 1 1 34 34 GLN CB C 13 28.152 0.138 . 1 . . . . . . . . 4789 1 363 . 1 1 34 34 GLN HB2 H 1 2.241 0.016 . 1 . . . . . . . . 4789 1 364 . 1 1 34 34 GLN HB3 H 1 2.241 0.016 . 1 . . . . . . . . 4789 1 365 . 1 1 34 34 GLN CG C 13 34.092 0.138 . 1 . . . . . . . . 4789 1 366 . 1 1 34 34 GLN HG2 H 1 2.559 0.016 . 2 . . . . . . . . 4789 1 367 . 1 1 34 34 GLN NE2 N 15 111.229 0.109 . 1 . . . . . . . . 4789 1 368 . 1 1 34 34 GLN HE21 H 1 7.483 0.016 . 2 . . . . . . . . 4789 1 369 . 1 1 34 34 GLN HE22 H 1 6.863 0.016 . 2 . . . . . . . . 4789 1 370 . 1 1 34 34 GLN C C 13 179.280 0.138 . 1 . . . . . . . . 4789 1 371 . 1 1 35 35 LYS N N 15 117.286 0.109 . 1 . . . . . . . . 4789 1 372 . 1 1 35 35 LYS H H 1 8.023 0.016 . 1 . . . . . . . . 4789 1 373 . 1 1 35 35 LYS CA C 13 59.567 0.138 . 1 . . . . . . . . 4789 1 374 . 1 1 35 35 LYS HA H 1 4.084 0.016 . 1 . . . . . . . . 4789 1 375 . 1 1 35 35 LYS CB C 13 32.711 0.138 . 1 . . . . . . . . 4789 1 376 . 1 1 35 35 LYS HB2 H 1 1.965 0.016 . 1 . . . . . . . . 4789 1 377 . 1 1 35 35 LYS HB3 H 1 1.965 0.016 . 1 . . . . . . . . 4789 1 378 . 1 1 35 35 LYS CG C 13 25.255 0.138 . 1 . . . . . . . . 4789 1 379 . 1 1 35 35 LYS HG2 H 1 1.470 0.016 . 2 . . . . . . . . 4789 1 380 . 1 1 35 35 LYS HG3 H 1 1.625 0.016 . 2 . . . . . . . . 4789 1 381 . 1 1 35 35 LYS CD C 13 29.458 0.138 . 1 . . . . . . . . 4789 1 382 . 1 1 35 35 LYS HD2 H 1 1.772 0.016 . 2 . . . . . . . . 4789 1 383 . 1 1 35 35 LYS CE C 13 41.745 0.138 . 1 . . . . . . . . 4789 1 384 . 1 1 35 35 LYS HE2 H 1 3.002 0.016 . 2 . . . . . . . . 4789 1 385 . 1 1 35 35 LYS C C 13 179.258 0.138 . 1 . . . . . . . . 4789 1 386 . 1 1 36 36 MET N N 15 118.058 0.109 . 1 . . . . . . . . 4789 1 387 . 1 1 36 36 MET H H 1 8.231 0.016 . 1 . . . . . . . . 4789 1 388 . 1 1 36 36 MET CA C 13 57.019 0.138 . 1 . . . . . . . . 4789 1 389 . 1 1 36 36 MET HA H 1 4.601 0.016 . 1 . . . . . . . . 4789 1 390 . 1 1 36 36 MET CB C 13 31.940 0.138 . 1 . . . . . . . . 4789 1 391 . 1 1 36 36 MET HB2 H 1 1.923 0.016 . 2 . . . . . . . . 4789 1 392 . 1 1 36 36 MET HB3 H 1 2.460 0.016 . 2 . . . . . . . . 4789 1 393 . 1 1 36 36 MET CG C 13 33.445 0.138 . 1 . . . . . . . . 4789 1 394 . 1 1 36 36 MET HG2 H 1 2.834 0.016 . 2 . . . . . . . . 4789 1 395 . 1 1 36 36 MET HG3 H 1 2.599 0.016 . 2 . . . . . . . . 4789 1 396 . 1 1 36 36 MET CE C 13 17.551 0.138 . 1 . . . . . . . . 4789 1 397 . 1 1 36 36 MET HE1 H 1 2.154 0.016 . 1 . . . . . . . . 4789 1 398 . 1 1 36 36 MET HE2 H 1 2.154 0.016 . 1 . . . . . . . . 4789 1 399 . 1 1 36 36 MET HE3 H 1 2.154 0.016 . 1 . . . . . . . . 4789 1 400 . 1 1 36 36 MET C C 13 178.894 0.138 . 1 . . . . . . . . 4789 1 401 . 1 1 37 37 LYS N N 15 120.787 0.109 . 1 . . . . . . . . 4789 1 402 . 1 1 37 37 LYS H H 1 9.267 0.016 . 1 . . . . . . . . 4789 1 403 . 1 1 37 37 LYS CA C 13 61.387 0.138 . 1 . . . . . . . . 4789 1 404 . 1 1 37 37 LYS HA H 1 3.912 0.016 . 1 . . . . . . . . 4789 1 405 . 1 1 37 37 LYS CB C 13 33.071 0.138 . 1 . . . . . . . . 4789 1 406 . 1 1 37 37 LYS HB2 H 1 2.159 0.016 . 2 . . . . . . . . 4789 1 407 . 1 1 37 37 LYS HB3 H 1 1.899 0.016 . 2 . . . . . . . . 4789 1 408 . 1 1 37 37 LYS CG C 13 27.553 0.138 . 1 . . . . . . . . 4789 1 409 . 1 1 37 37 LYS HG2 H 1 1.415 0.016 . 2 . . . . . . . . 4789 1 410 . 1 1 37 37 LYS HG3 H 1 2.090 0.016 . 2 . . . . . . . . 4789 1 411 . 1 1 37 37 LYS CD C 13 30.327 0.138 . 1 . . . . . . . . 4789 1 412 . 1 1 37 37 LYS HD2 H 1 1.758 0.016 . 2 . . . . . . . . 4789 1 413 . 1 1 37 37 LYS HD3 H 1 2.095 0.016 . 2 . . . . . . . . 4789 1 414 . 1 1 37 37 LYS CE C 13 43.066 0.138 . 1 . . . . . . . . 4789 1 415 . 1 1 37 37 LYS HE2 H 1 3.362 0.016 . 2 . . . . . . . . 4789 1 416 . 1 1 37 37 LYS HE3 H 1 3.221 0.016 . 2 . . . . . . . . 4789 1 417 . 1 1 37 37 LYS C C 13 179.995 0.138 . 1 . . . . . . . . 4789 1 418 . 1 1 38 38 ARG N N 15 117.620 0.109 . 1 . . . . . . . . 4789 1 419 . 1 1 38 38 ARG H H 1 7.724 0.016 . 1 . . . . . . . . 4789 1 420 . 1 1 38 38 ARG CA C 13 59.522 0.138 . 1 . . . . . . . . 4789 1 421 . 1 1 38 38 ARG HA H 1 4.227 0.016 . 1 . . . . . . . . 4789 1 422 . 1 1 38 38 ARG CB C 13 30.009 0.138 . 1 . . . . . . . . 4789 1 423 . 1 1 38 38 ARG HB2 H 1 2.000 0.016 . 1 . . . . . . . . 4789 1 424 . 1 1 38 38 ARG HB3 H 1 2.000 0.016 . 1 . . . . . . . . 4789 1 425 . 1 1 38 38 ARG CG C 13 27.392 0.138 . 1 . . . . . . . . 4789 1 426 . 1 1 38 38 ARG HG2 H 1 1.773 0.016 . 2 . . . . . . . . 4789 1 427 . 1 1 38 38 ARG CD C 13 43.461 0.138 . 1 . . . . . . . . 4789 1 428 . 1 1 38 38 ARG HD3 H 1 3.319 0.016 . 2 . . . . . . . . 4789 1 429 . 1 1 38 38 ARG C C 13 179.762 0.138 . 1 . . . . . . . . 4789 1 430 . 1 1 39 39 VAL N N 15 122.303 0.109 . 1 . . . . . . . . 4789 1 431 . 1 1 39 39 VAL H H 1 7.817 0.016 . 1 . . . . . . . . 4789 1 432 . 1 1 39 39 VAL CA C 13 66.787 0.138 . 1 . . . . . . . . 4789 1 433 . 1 1 39 39 VAL HA H 1 3.859 0.016 . 1 . . . . . . . . 4789 1 434 . 1 1 39 39 VAL CB C 13 31.698 0.138 . 1 . . . . . . . . 4789 1 435 . 1 1 39 39 VAL HB H 1 2.432 0.016 . 1 . . . . . . . . 4789 1 436 . 1 1 39 39 VAL HG21 H 1 1.210 0.016 . 2 . . . . . . . . 4789 1 437 . 1 1 39 39 VAL HG22 H 1 1.210 0.016 . 2 . . . . . . . . 4789 1 438 . 1 1 39 39 VAL HG23 H 1 1.210 0.016 . 2 . . . . . . . . 4789 1 439 . 1 1 39 39 VAL C C 13 177.731 0.138 . 1 . . . . . . . . 4789 1 440 . 1 1 40 40 VAL N N 15 121.122 0.109 . 1 . . . . . . . . 4789 1 441 . 1 1 40 40 VAL H H 1 8.444 0.016 . 1 . . . . . . . . 4789 1 442 . 1 1 40 40 VAL CA C 13 67.407 0.138 . 1 . . . . . . . . 4789 1 443 . 1 1 40 40 VAL HA H 1 3.609 0.016 . 1 . . . . . . . . 4789 1 444 . 1 1 40 40 VAL CB C 13 31.801 0.138 . 1 . . . . . . . . 4789 1 445 . 1 1 40 40 VAL HB H 1 2.274 0.016 . 1 . . . . . . . . 4789 1 446 . 1 1 40 40 VAL CG2 C 13 23.678 0.138 . 2 . . . . . . . . 4789 1 447 . 1 1 40 40 VAL HG21 H 1 1.070 0.016 . 2 . . . . . . . . 4789 1 448 . 1 1 40 40 VAL HG22 H 1 1.070 0.016 . 2 . . . . . . . . 4789 1 449 . 1 1 40 40 VAL HG23 H 1 1.070 0.016 . 2 . . . . . . . . 4789 1 450 . 1 1 40 40 VAL CG1 C 13 21.435 0.138 . 2 . . . . . . . . 4789 1 451 . 1 1 40 40 VAL HG11 H 1 1.030 0.016 . 2 . . . . . . . . 4789 1 452 . 1 1 40 40 VAL HG12 H 1 1.030 0.016 . 2 . . . . . . . . 4789 1 453 . 1 1 40 40 VAL HG13 H 1 1.030 0.016 . 2 . . . . . . . . 4789 1 454 . 1 1 40 40 VAL C C 13 178.579 0.138 . 1 . . . . . . . . 4789 1 455 . 1 1 41 41 GLN N N 15 118.698 0.109 . 1 . . . . . . . . 4789 1 456 . 1 1 41 41 GLN H H 1 8.192 0.016 . 1 . . . . . . . . 4789 1 457 . 1 1 41 41 GLN CA C 13 58.838 0.138 . 1 . . . . . . . . 4789 1 458 . 1 1 41 41 GLN HA H 1 4.069 0.016 . 1 . . . . . . . . 4789 1 459 . 1 1 41 41 GLN CB C 13 28.347 0.138 . 1 . . . . . . . . 4789 1 460 . 1 1 41 41 GLN CG C 13 33.596 0.138 . 1 . . . . . . . . 4789 1 461 . 1 1 41 41 GLN HG2 H 1 2.560 0.016 . 2 . . . . . . . . 4789 1 462 . 1 1 41 41 GLN C C 13 178.934 0.138 . 1 . . . . . . . . 4789 1 463 . 1 1 42 42 HIS N N 15 119.112 0.109 . 1 . . . . . . . . 4789 1 464 . 1 1 42 42 HIS H H 1 8.212 0.016 . 1 . . . . . . . . 4789 1 465 . 1 1 42 42 HIS CA C 13 59.725 0.138 . 1 . . . . . . . . 4789 1 466 . 1 1 42 42 HIS HA H 1 4.304 0.016 . 1 . . . . . . . . 4789 1 467 . 1 1 42 42 HIS CB C 13 26.959 0.138 . 1 . . . . . . . . 4789 1 468 . 1 1 42 42 HIS HB2 H 1 3.430 0.016 . 2 . . . . . . . . 4789 1 469 . 1 1 42 42 HIS HB3 H 1 3.913 0.016 . 2 . . . . . . . . 4789 1 470 . 1 1 42 42 HIS CD2 C 13 129.311 0.138 . 1 . . . . . . . . 4789 1 471 . 1 1 42 42 HIS HD2 H 1 7.057 0.016 . 2 . . . . . . . . 4789 1 472 . 1 1 42 42 HIS NE2 N 15 210.107 0.109 . 1 . . . . . . . . 4789 1 473 . 1 1 42 42 HIS CE1 C 13 139.626 0.138 . 1 . . . . . . . . 4789 1 474 . 1 1 42 42 HIS HE1 H 1 8.061 0.016 . 1 . . . . . . . . 4789 1 475 . 1 1 42 42 HIS ND1 N 15 163.880 0.109 . 1 . . . . . . . . 4789 1 476 . 1 1 42 42 HIS C C 13 178.174 0.138 . 1 . . . . . . . . 4789 1 477 . 1 1 43 43 THR N N 15 113.207 0.109 . 1 . . . . . . . . 4789 1 478 . 1 1 43 43 THR H H 1 8.146 0.016 . 1 . . . . . . . . 4789 1 479 . 1 1 43 43 THR CA C 13 66.100 0.138 . 1 . . . . . . . . 4789 1 480 . 1 1 43 43 THR HA H 1 3.988 0.016 . 1 . . . . . . . . 4789 1 481 . 1 1 43 43 THR CB C 13 69.440 0.138 . 1 . . . . . . . . 4789 1 482 . 1 1 43 43 THR HB H 1 4.316 0.016 . 1 . . . . . . . . 4789 1 483 . 1 1 43 43 THR CG2 C 13 21.381 0.138 . 1 . . . . . . . . 4789 1 484 . 1 1 43 43 THR HG21 H 1 1.665 0.016 . 1 . . . . . . . . 4789 1 485 . 1 1 43 43 THR HG22 H 1 1.665 0.016 . 1 . . . . . . . . 4789 1 486 . 1 1 43 43 THR HG23 H 1 1.665 0.016 . 1 . . . . . . . . 4789 1 487 . 1 1 43 43 THR C C 13 175.889 0.138 . 1 . . . . . . . . 4789 1 488 . 1 1 44 44 LYS N N 15 119.978 0.109 . 1 . . . . . . . . 4789 1 489 . 1 1 44 44 LYS H H 1 7.407 0.016 . 1 . . . . . . . . 4789 1 490 . 1 1 44 44 LYS CA C 13 58.879 0.138 . 1 . . . . . . . . 4789 1 491 . 1 1 44 44 LYS HA H 1 4.125 0.016 . 1 . . . . . . . . 4789 1 492 . 1 1 44 44 LYS CB C 13 32.244 0.138 . 1 . . . . . . . . 4789 1 493 . 1 1 44 44 LYS HB2 H 1 1.950 0.016 . 1 . . . . . . . . 4789 1 494 . 1 1 44 44 LYS HB3 H 1 1.950 0.016 . 1 . . . . . . . . 4789 1 495 . 1 1 44 44 LYS CG C 13 25.419 0.138 . 1 . . . . . . . . 4789 1 496 . 1 1 44 44 LYS HG2 H 1 1.620 0.016 . 2 . . . . . . . . 4789 1 497 . 1 1 44 44 LYS CD C 13 29.138 0.138 . 1 . . . . . . . . 4789 1 498 . 1 1 44 44 LYS HD2 H 1 1.751 0.016 . 2 . . . . . . . . 4789 1 499 . 1 1 44 44 LYS CE C 13 41.873 0.138 . 1 . . . . . . . . 4789 1 500 . 1 1 44 44 LYS HE2 H 1 2.957 0.016 . 2 . . . . . . . . 4789 1 501 . 1 1 44 44 LYS C C 13 177.782 0.138 . 1 . . . . . . . . 4789 1 502 . 1 1 45 45 GLY N N 15 103.578 0.109 . 1 . . . . . . . . 4789 1 503 . 1 1 45 45 GLY H H 1 7.143 0.016 . 1 . . . . . . . . 4789 1 504 . 1 1 45 45 GLY CA C 13 44.525 0.138 . 1 . . . . . . . . 4789 1 505 . 1 1 45 45 GLY HA3 H 1 4.466 0.016 . 2 . . . . . . . . 4789 1 506 . 1 1 45 45 GLY HA2 H 1 3.695 0.016 . 2 . . . . . . . . 4789 1 507 . 1 1 45 45 GLY C C 13 173.791 0.138 . 1 . . . . . . . . 4789 1 508 . 1 1 46 46 CYS N N 15 123.413 0.109 . 1 . . . . . . . . 4789 1 509 . 1 1 46 46 CYS H H 1 6.957 0.016 . 1 . . . . . . . . 4789 1 510 . 1 1 46 46 CYS CA C 13 60.988 0.138 . 1 . . . . . . . . 4789 1 511 . 1 1 46 46 CYS HA H 1 4.043 0.016 . 1 . . . . . . . . 4789 1 512 . 1 1 46 46 CYS CB C 13 30.025 0.138 . 1 . . . . . . . . 4789 1 513 . 1 1 46 46 CYS HB2 H 1 2.800 0.016 . 2 . . . . . . . . 4789 1 514 . 1 1 46 46 CYS HB3 H 1 2.077 0.016 . 2 . . . . . . . . 4789 1 515 . 1 1 46 46 CYS C C 13 176.757 0.138 . 1 . . . . . . . . 4789 1 516 . 1 1 47 47 LYS N N 15 128.072 0.109 . 1 . . . . . . . . 4789 1 517 . 1 1 47 47 LYS H H 1 9.039 0.016 . 1 . . . . . . . . 4789 1 518 . 1 1 47 47 LYS CA C 13 56.650 0.138 . 1 . . . . . . . . 4789 1 519 . 1 1 47 47 LYS HA H 1 4.555 0.016 . 1 . . . . . . . . 4789 1 520 . 1 1 47 47 LYS CB C 13 31.127 0.138 . 1 . . . . . . . . 4789 1 521 . 1 1 47 47 LYS HB2 H 1 2.030 0.016 . 2 . . . . . . . . 4789 1 522 . 1 1 47 47 LYS HB3 H 1 1.998 0.016 . 2 . . . . . . . . 4789 1 523 . 1 1 47 47 LYS CG C 13 25.146 0.138 . 1 . . . . . . . . 4789 1 524 . 1 1 47 47 LYS HG2 H 1 1.677 0.016 . 1 . . . . . . . . 4789 1 525 . 1 1 47 47 LYS HG3 H 1 1.677 0.016 . 1 . . . . . . . . 4789 1 526 . 1 1 47 47 LYS CD C 13 28.745 0.138 . 1 . . . . . . . . 4789 1 527 . 1 1 47 47 LYS HD2 H 1 1.788 0.016 . 2 . . . . . . . . 4789 1 528 . 1 1 47 47 LYS CE C 13 41.998 0.138 . 1 . . . . . . . . 4789 1 529 . 1 1 47 47 LYS HE2 H 1 3.081 0.016 . 2 . . . . . . . . 4789 1 530 . 1 1 47 47 LYS C C 13 177.543 0.138 . 1 . . . . . . . . 4789 1 531 . 1 1 48 48 ARG N N 15 122.404 0.109 . 1 . . . . . . . . 4789 1 532 . 1 1 48 48 ARG H H 1 8.532 0.016 . 1 . . . . . . . . 4789 1 533 . 1 1 48 48 ARG CA C 13 57.605 0.138 . 1 . . . . . . . . 4789 1 534 . 1 1 48 48 ARG HA H 1 4.462 0.016 . 1 . . . . . . . . 4789 1 535 . 1 1 48 48 ARG CB C 13 31.580 0.138 . 1 . . . . . . . . 4789 1 536 . 1 1 48 48 ARG HB2 H 1 1.952 0.016 . 2 . . . . . . . . 4789 1 537 . 1 1 48 48 ARG HB3 H 1 1.867 0.016 . 2 . . . . . . . . 4789 1 538 . 1 1 48 48 ARG CG C 13 27.370 0.138 . 1 . . . . . . . . 4789 1 539 . 1 1 48 48 ARG HG2 H 1 1.766 0.016 . 2 . . . . . . . . 4789 1 540 . 1 1 48 48 ARG CD C 13 43.218 0.138 . 1 . . . . . . . . 4789 1 541 . 1 1 48 48 ARG HD2 H 1 3.342 0.016 . 2 . . . . . . . . 4789 1 542 . 1 1 48 48 ARG C C 13 176.949 0.138 . 1 . . . . . . . . 4789 1 543 . 1 1 49 49 LYS N N 15 118.251 0.109 . 1 . . . . . . . . 4789 1 544 . 1 1 49 49 LYS H H 1 8.354 0.016 . 1 . . . . . . . . 4789 1 545 . 1 1 49 49 LYS CA C 13 57.759 0.138 . 1 . . . . . . . . 4789 1 546 . 1 1 49 49 LYS HA H 1 4.628 0.016 . 1 . . . . . . . . 4789 1 547 . 1 1 49 49 LYS CB C 13 32.198 0.138 . 1 . . . . . . . . 4789 1 548 . 1 1 49 49 LYS HB2 H 1 2.342 0.016 . 2 . . . . . . . . 4789 1 549 . 1 1 49 49 LYS HB3 H 1 2.174 0.016 . 2 . . . . . . . . 4789 1 550 . 1 1 49 49 LYS CG C 13 24.752 0.138 . 1 . . . . . . . . 4789 1 551 . 1 1 49 49 LYS HG2 H 1 1.645 0.016 . 2 . . . . . . . . 4789 1 552 . 1 1 49 49 LYS HG3 H 1 1.391 0.016 . 2 . . . . . . . . 4789 1 553 . 1 1 49 49 LYS CD C 13 29.860 0.138 . 1 . . . . . . . . 4789 1 554 . 1 1 49 49 LYS HD2 H 1 1.815 0.016 . 2 . . . . . . . . 4789 1 555 . 1 1 49 49 LYS CE C 13 42.414 0.138 . 1 . . . . . . . . 4789 1 556 . 1 1 49 49 LYS HE2 H 1 3.196 0.016 . 2 . . . . . . . . 4789 1 557 . 1 1 49 49 LYS C C 13 177.212 0.138 . 1 . . . . . . . . 4789 1 558 . 1 1 50 50 THR N N 15 113.558 0.109 . 1 . . . . . . . . 4789 1 559 . 1 1 50 50 THR H H 1 7.797 0.016 . 1 . . . . . . . . 4789 1 560 . 1 1 50 50 THR CA C 13 63.995 0.138 . 1 . . . . . . . . 4789 1 561 . 1 1 50 50 THR HA H 1 4.187 0.016 . 1 . . . . . . . . 4789 1 562 . 1 1 50 50 THR CB C 13 68.637 0.138 . 1 . . . . . . . . 4789 1 563 . 1 1 50 50 THR HB H 1 4.281 0.016 . 1 . . . . . . . . 4789 1 564 . 1 1 50 50 THR C C 13 175.979 0.138 . 1 . . . . . . . . 4789 1 565 . 1 1 51 51 ASN N N 15 119.714 0.109 . 1 . . . . . . . . 4789 1 566 . 1 1 51 51 ASN H H 1 8.347 0.016 . 1 . . . . . . . . 4789 1 567 . 1 1 51 51 ASN CA C 13 53.699 0.138 . 1 . . . . . . . . 4789 1 568 . 1 1 51 51 ASN HA H 1 4.808 0.016 . 1 . . . . . . . . 4789 1 569 . 1 1 51 51 ASN CB C 13 38.180 0.138 . 1 . . . . . . . . 4789 1 570 . 1 1 51 51 ASN HB2 H 1 2.939 0.016 . 2 . . . . . . . . 4789 1 571 . 1 1 51 51 ASN ND2 N 15 112.094 0.109 . 1 . . . . . . . . 4789 1 572 . 1 1 51 51 ASN C C 13 175.975 0.138 . 1 . . . . . . . . 4789 1 573 . 1 1 52 52 GLY N N 15 107.285 0.109 . 1 . . . . . . . . 4789 1 574 . 1 1 52 52 GLY H H 1 7.975 0.016 . 1 . . . . . . . . 4789 1 575 . 1 1 52 52 GLY CA C 13 45.753 0.138 . 1 . . . . . . . . 4789 1 576 . 1 1 52 52 GLY HA2 H 1 4.072 0.016 . 1 . . . . . . . . 4789 1 577 . 1 1 52 52 GLY HA3 H 1 4.072 0.016 . 1 . . . . . . . . 4789 1 578 . 1 1 52 52 GLY C C 13 175.280 0.138 . 1 . . . . . . . . 4789 1 579 . 1 1 53 53 GLY N N 15 107.090 0.109 . 1 . . . . . . . . 4789 1 580 . 1 1 53 53 GLY H H 1 7.807 0.016 . 1 . . . . . . . . 4789 1 581 . 1 1 53 53 GLY CA C 13 45.495 0.138 . 1 . . . . . . . . 4789 1 582 . 1 1 53 53 GLY HA3 H 1 3.940 0.016 . 2 . . . . . . . . 4789 1 583 . 1 1 53 53 GLY HA2 H 1 4.087 0.016 . 2 . . . . . . . . 4789 1 584 . 1 1 53 53 GLY C C 13 173.303 0.138 . 1 . . . . . . . . 4789 1 585 . 1 1 54 54 CYS N N 15 122.411 0.109 . 1 . . . . . . . . 4789 1 586 . 1 1 54 54 CYS H H 1 8.081 0.016 . 1 . . . . . . . . 4789 1 587 . 1 1 54 54 CYS CA C 13 55.698 0.138 . 1 . . . . . . . . 4789 1 588 . 1 1 54 54 CYS HA H 1 4.918 0.016 . 1 . . . . . . . . 4789 1 589 . 1 1 54 54 CYS CB C 13 30.622 0.138 . 1 . . . . . . . . 4789 1 590 . 1 1 54 54 CYS HB2 H 1 2.957 0.016 . 2 . . . . . . . . 4789 1 591 . 1 1 54 54 CYS HB3 H 1 2.763 0.016 . 2 . . . . . . . . 4789 1 592 . 1 1 55 55 PRO CA C 13 65.242 0.138 . 1 . . . . . . . . 4789 1 593 . 1 1 55 55 PRO HA H 1 4.410 0.016 . 1 . . . . . . . . 4789 1 594 . 1 1 55 55 PRO CB C 13 32.493 0.138 . 1 . . . . . . . . 4789 1 595 . 1 1 55 55 PRO HB2 H 1 2.481 0.016 . 2 . . . . . . . . 4789 1 596 . 1 1 55 55 PRO HB3 H 1 2.125 0.016 . 2 . . . . . . . . 4789 1 597 . 1 1 55 55 PRO CG C 13 27.421 0.138 . 1 . . . . . . . . 4789 1 598 . 1 1 55 55 PRO HG2 H 1 2.214 0.016 . 2 . . . . . . . . 4789 1 599 . 1 1 55 55 PRO CD C 13 51.582 0.138 . 1 . . . . . . . . 4789 1 600 . 1 1 55 55 PRO HD2 H 1 4.135 0.016 . 2 . . . . . . . . 4789 1 601 . 1 1 56 56 VAL N N 15 122.003 0.109 . 1 . . . . . . . . 4789 1 602 . 1 1 56 56 VAL H H 1 7.816 0.016 . 1 . . . . . . . . 4789 1 603 . 1 1 56 56 VAL CA C 13 66.048 0.138 . 1 . . . . . . . . 4789 1 604 . 1 1 56 56 VAL HA H 1 3.780 0.016 . 1 . . . . . . . . 4789 1 605 . 1 1 56 56 VAL CB C 13 32.810 0.138 . 1 . . . . . . . . 4789 1 606 . 1 1 57 57 CYS N N 15 123.696 0.109 . 1 . . . . . . . . 4789 1 607 . 1 1 57 57 CYS H H 1 8.762 0.016 . 1 . . . . . . . . 4789 1 608 . 1 1 57 57 CYS CA C 13 65.722 0.138 . 1 . . . . . . . . 4789 1 609 . 1 1 57 57 CYS HA H 1 4.233 0.016 . 1 . . . . . . . . 4789 1 610 . 1 1 57 57 CYS CB C 13 29.640 0.138 . 1 . . . . . . . . 4789 1 611 . 1 1 57 57 CYS HB2 H 1 2.882 0.016 . 2 . . . . . . . . 4789 1 612 . 1 1 57 57 CYS HB3 H 1 3.023 0.016 . 2 . . . . . . . . 4789 1 613 . 1 1 57 57 CYS C C 13 177.520 0.138 . 1 . . . . . . . . 4789 1 614 . 1 1 58 58 LYS N N 15 117.941 0.109 . 1 . . . . . . . . 4789 1 615 . 1 1 58 58 LYS H H 1 8.164 0.016 . 1 . . . . . . . . 4789 1 616 . 1 1 58 58 LYS CA C 13 60.179 0.138 . 1 . . . . . . . . 4789 1 617 . 1 1 58 58 LYS HA H 1 3.980 0.016 . 1 . . . . . . . . 4789 1 618 . 1 1 58 58 LYS CB C 13 32.710 0.138 . 1 . . . . . . . . 4789 1 619 . 1 1 58 58 LYS HB2 H 1 1.903 0.016 . 2 . . . . . . . . 4789 1 620 . 1 1 58 58 LYS HB3 H 1 1.948 0.016 . 2 . . . . . . . . 4789 1 621 . 1 1 58 58 LYS CG C 13 25.252 0.138 . 1 . . . . . . . . 4789 1 622 . 1 1 58 58 LYS HG2 H 1 1.463 0.016 . 2 . . . . . . . . 4789 1 623 . 1 1 58 58 LYS HG3 H 1 1.637 0.016 . 2 . . . . . . . . 4789 1 624 . 1 1 58 58 LYS CD C 13 29.370 0.138 . 1 . . . . . . . . 4789 1 625 . 1 1 58 58 LYS HD2 H 1 1.727 0.016 . 2 . . . . . . . . 4789 1 626 . 1 1 58 58 LYS CE C 13 41.908 0.138 . 1 . . . . . . . . 4789 1 627 . 1 1 58 58 LYS HE2 H 1 3.033 0.016 . 2 . . . . . . . . 4789 1 628 . 1 1 58 58 LYS C C 13 179.230 0.138 . 1 . . . . . . . . 4789 1 629 . 1 1 59 59 GLN N N 15 117.992 0.109 . 1 . . . . . . . . 4789 1 630 . 1 1 59 59 GLN H H 1 7.501 0.016 . 1 . . . . . . . . 4789 1 631 . 1 1 59 59 GLN CA C 13 58.547 0.138 . 1 . . . . . . . . 4789 1 632 . 1 1 59 59 GLN HA H 1 4.257 0.016 . 1 . . . . . . . . 4789 1 633 . 1 1 59 59 GLN CB C 13 28.358 0.138 . 1 . . . . . . . . 4789 1 634 . 1 1 59 59 GLN HB2 H 1 2.296 0.016 . 2 . . . . . . . . 4789 1 635 . 1 1 59 59 GLN CG C 13 34.053 0.138 . 1 . . . . . . . . 4789 1 636 . 1 1 59 59 GLN HG2 H 1 2.539 0.016 . 2 . . . . . . . . 4789 1 637 . 1 1 59 59 GLN NE2 N 15 110.807 0.109 . 1 . . . . . . . . 4789 1 638 . 1 1 59 59 GLN HE21 H 1 7.419 0.016 . 2 . . . . . . . . 4789 1 639 . 1 1 59 59 GLN HE22 H 1 6.828 0.016 . 2 . . . . . . . . 4789 1 640 . 1 1 59 59 GLN C C 13 178.329 0.138 . 1 . . . . . . . . 4789 1 641 . 1 1 60 60 LEU N N 15 120.970 0.109 . 1 . . . . . . . . 4789 1 642 . 1 1 60 60 LEU H H 1 7.881 0.016 . 1 . . . . . . . . 4789 1 643 . 1 1 60 60 LEU CA C 13 57.981 0.138 . 1 . . . . . . . . 4789 1 644 . 1 1 60 60 LEU HA H 1 4.293 0.016 . 1 . . . . . . . . 4789 1 645 . 1 1 60 60 LEU CB C 13 41.388 0.138 . 1 . . . . . . . . 4789 1 646 . 1 1 60 60 LEU HB2 H 1 2.131 0.016 . 2 . . . . . . . . 4789 1 647 . 1 1 60 60 LEU HB3 H 1 1.749 0.016 . 2 . . . . . . . . 4789 1 648 . 1 1 60 60 LEU CG C 13 27.490 0.138 . 1 . . . . . . . . 4789 1 649 . 1 1 60 60 LEU HG H 1 1.921 0.016 . 1 . . . . . . . . 4789 1 650 . 1 1 60 60 LEU CD1 C 13 24.233 0.138 . 2 . . . . . . . . 4789 1 651 . 1 1 60 60 LEU HD11 H 1 1.063 0.016 . 2 . . . . . . . . 4789 1 652 . 1 1 60 60 LEU HD12 H 1 1.063 0.016 . 2 . . . . . . . . 4789 1 653 . 1 1 60 60 LEU HD13 H 1 1.063 0.016 . 2 . . . . . . . . 4789 1 654 . 1 1 60 60 LEU CD2 C 13 26.076 0.138 . 2 . . . . . . . . 4789 1 655 . 1 1 60 60 LEU HD21 H 1 1.140 0.016 . 2 . . . . . . . . 4789 1 656 . 1 1 60 60 LEU HD22 H 1 1.140 0.016 . 2 . . . . . . . . 4789 1 657 . 1 1 60 60 LEU HD23 H 1 1.140 0.016 . 2 . . . . . . . . 4789 1 658 . 1 1 60 60 LEU C C 13 179.141 0.138 . 1 . . . . . . . . 4789 1 659 . 1 1 61 61 ILE N N 15 120.151 0.109 . 1 . . . . . . . . 4789 1 660 . 1 1 61 61 ILE H H 1 8.807 0.016 . 1 . . . . . . . . 4789 1 661 . 1 1 61 61 ILE CA C 13 65.459 0.138 . 1 . . . . . . . . 4789 1 662 . 1 1 61 61 ILE HA H 1 3.629 0.016 . 1 . . . . . . . . 4789 1 663 . 1 1 61 61 ILE CB C 13 37.416 0.138 . 1 . . . . . . . . 4789 1 664 . 1 1 61 61 ILE HB H 1 1.826 0.016 . 1 . . . . . . . . 4789 1 665 . 1 1 61 61 ILE CG1 C 13 30.291 0.138 . 2 . . . . . . . . 4789 1 666 . 1 1 61 61 ILE HG12 H 1 1.504 0.016 . 1 . . . . . . . . 4789 1 667 . 1 1 61 61 ILE HG13 H 1 1.504 0.016 . 1 . . . . . . . . 4789 1 668 . 1 1 61 61 ILE CD1 C 13 12.784 0.138 . 1 . . . . . . . . 4789 1 669 . 1 1 61 61 ILE HD11 H 1 0.626 0.016 . 1 . . . . . . . . 4789 1 670 . 1 1 61 61 ILE HD12 H 1 0.626 0.016 . 1 . . . . . . . . 4789 1 671 . 1 1 61 61 ILE HD13 H 1 0.626 0.016 . 1 . . . . . . . . 4789 1 672 . 1 1 61 61 ILE CG2 C 13 17.424 0.138 . 2 . . . . . . . . 4789 1 673 . 1 1 61 61 ILE HG21 H 1 0.863 0.016 . 1 . . . . . . . . 4789 1 674 . 1 1 61 61 ILE HG22 H 1 0.863 0.016 . 1 . . . . . . . . 4789 1 675 . 1 1 61 61 ILE HG23 H 1 0.863 0.016 . 1 . . . . . . . . 4789 1 676 . 1 1 61 61 ILE C C 13 177.867 0.138 . 1 . . . . . . . . 4789 1 677 . 1 1 62 62 ALA N N 15 122.189 0.109 . 1 . . . . . . . . 4789 1 678 . 1 1 62 62 ALA H H 1 7.641 0.016 . 1 . . . . . . . . 4789 1 679 . 1 1 62 62 ALA CA C 13 55.603 0.138 . 1 . . . . . . . . 4789 1 680 . 1 1 62 62 ALA HA H 1 4.233 0.016 . 1 . . . . . . . . 4789 1 681 . 1 1 62 62 ALA CB C 13 17.793 0.138 . 1 . . . . . . . . 4789 1 682 . 1 1 62 62 ALA HB1 H 1 1.598 0.016 . 1 . . . . . . . . 4789 1 683 . 1 1 62 62 ALA HB2 H 1 1.598 0.016 . 1 . . . . . . . . 4789 1 684 . 1 1 62 62 ALA HB3 H 1 1.598 0.016 . 1 . . . . . . . . 4789 1 685 . 1 1 62 62 ALA C C 13 181.074 0.138 . 1 . . . . . . . . 4789 1 686 . 1 1 63 63 LEU N N 15 118.720 0.109 . 1 . . . . . . . . 4789 1 687 . 1 1 63 63 LEU H H 1 7.702 0.016 . 1 . . . . . . . . 4789 1 688 . 1 1 63 63 LEU CA C 13 57.919 0.138 . 1 . . . . . . . . 4789 1 689 . 1 1 63 63 LEU HA H 1 4.284 0.016 . 1 . . . . . . . . 4789 1 690 . 1 1 63 63 LEU CB C 13 42.445 0.138 . 1 . . . . . . . . 4789 1 691 . 1 1 63 63 LEU HB2 H 1 1.742 0.016 . 2 . . . . . . . . 4789 1 692 . 1 1 63 63 LEU HB3 H 1 2.249 0.016 . 2 . . . . . . . . 4789 1 693 . 1 1 63 63 LEU CG C 13 26.753 0.138 . 1 . . . . . . . . 4789 1 694 . 1 1 63 63 LEU HG H 1 2.068 0.016 . 1 . . . . . . . . 4789 1 695 . 1 1 63 63 LEU CD1 C 13 24.093 0.138 . 2 . . . . . . . . 4789 1 696 . 1 1 63 63 LEU HD11 H 1 1.014 0.016 . 2 . . . . . . . . 4789 1 697 . 1 1 63 63 LEU HD12 H 1 1.014 0.016 . 2 . . . . . . . . 4789 1 698 . 1 1 63 63 LEU HD13 H 1 1.014 0.016 . 2 . . . . . . . . 4789 1 699 . 1 1 63 63 LEU CD2 C 13 25.651 0.138 . 2 . . . . . . . . 4789 1 700 . 1 1 63 63 LEU HD21 H 1 1.068 0.016 . 2 . . . . . . . . 4789 1 701 . 1 1 63 63 LEU HD22 H 1 1.068 0.016 . 2 . . . . . . . . 4789 1 702 . 1 1 63 63 LEU HD23 H 1 1.068 0.016 . 2 . . . . . . . . 4789 1 703 . 1 1 63 63 LEU C C 13 179.272 0.138 . 1 . . . . . . . . 4789 1 704 . 1 1 64 64 CYS N N 15 118.582 0.109 . 1 . . . . . . . . 4789 1 705 . 1 1 64 64 CYS H H 1 8.677 0.016 . 1 . . . . . . . . 4789 1 706 . 1 1 64 64 CYS CA C 13 64.294 0.138 . 1 . . . . . . . . 4789 1 707 . 1 1 64 64 CYS HA H 1 4.106 0.016 . 1 . . . . . . . . 4789 1 708 . 1 1 64 64 CYS CB C 13 26.587 0.138 . 1 . . . . . . . . 4789 1 709 . 1 1 64 64 CYS HB2 H 1 3.321 0.016 . 2 . . . . . . . . 4789 1 710 . 1 1 64 64 CYS HB3 H 1 3.194 0.016 . 2 . . . . . . . . 4789 1 711 . 1 1 64 64 CYS C C 13 177.284 0.138 . 1 . . . . . . . . 4789 1 712 . 1 1 65 65 CYS N N 15 118.723 0.109 . 1 . . . . . . . . 4789 1 713 . 1 1 65 65 CYS H H 1 8.757 0.016 . 1 . . . . . . . . 4789 1 714 . 1 1 65 65 CYS CA C 13 63.733 0.138 . 1 . . . . . . . . 4789 1 715 . 1 1 65 65 CYS HA H 1 4.262 0.016 . 1 . . . . . . . . 4789 1 716 . 1 1 65 65 CYS CB C 13 26.538 0.138 . 1 . . . . . . . . 4789 1 717 . 1 1 65 65 CYS HB2 H 1 2.938 0.016 . 2 . . . . . . . . 4789 1 718 . 1 1 65 65 CYS HB3 H 1 3.143 0.016 . 2 . . . . . . . . 4789 1 719 . 1 1 65 65 CYS C C 13 176.845 0.138 . 1 . . . . . . . . 4789 1 720 . 1 1 66 66 TYR N N 15 120.205 0.109 . 1 . . . . . . . . 4789 1 721 . 1 1 66 66 TYR H H 1 7.751 0.016 . 1 . . . . . . . . 4789 1 722 . 1 1 66 66 TYR CA C 13 61.503 0.138 . 1 . . . . . . . . 4789 1 723 . 1 1 66 66 TYR HA H 1 4.312 0.016 . 1 . . . . . . . . 4789 1 724 . 1 1 66 66 TYR CB C 13 38.174 0.138 . 1 . . . . . . . . 4789 1 725 . 1 1 66 66 TYR HB2 H 1 3.300 0.016 . 2 . . . . . . . . 4789 1 726 . 1 1 66 66 TYR CE1 C 13 159.567 0.138 . 2 . . . . . . . . 4789 1 727 . 1 1 66 66 TYR HE1 H 1 6.905 0.016 . 2 . . . . . . . . 4789 1 728 . 1 1 66 66 TYR C C 13 178.623 0.138 . 1 . . . . . . . . 4789 1 729 . 1 1 67 67 HIS N N 15 117.996 0.109 . 1 . . . . . . . . 4789 1 730 . 1 1 67 67 HIS H H 1 8.379 0.016 . 1 . . . . . . . . 4789 1 731 . 1 1 67 67 HIS CA C 13 59.217 0.138 . 1 . . . . . . . . 4789 1 732 . 1 1 67 67 HIS HA H 1 4.411 0.016 . 1 . . . . . . . . 4789 1 733 . 1 1 67 67 HIS CB C 13 27.836 0.138 . 1 . . . . . . . . 4789 1 734 . 1 1 67 67 HIS HB2 H 1 3.675 0.016 . 2 . . . . . . . . 4789 1 735 . 1 1 67 67 HIS HB3 H 1 3.268 0.016 . 2 . . . . . . . . 4789 1 736 . 1 1 67 67 HIS CD2 C 13 129.900 0.138 . 1 . . . . . . . . 4789 1 737 . 1 1 67 67 HIS HD2 H 1 7.181 0.016 . 2 . . . . . . . . 4789 1 738 . 1 1 67 67 HIS NE2 N 15 212.788 0.109 . 1 . . . . . . . . 4789 1 739 . 1 1 67 67 HIS CE1 C 13 140.532 0.138 . 1 . . . . . . . . 4789 1 740 . 1 1 67 67 HIS HE1 H 1 8.123 0.016 . 1 . . . . . . . . 4789 1 741 . 1 1 67 67 HIS ND1 N 15 162.018 0.109 . 1 . . . . . . . . 4789 1 742 . 1 1 67 67 HIS C C 13 176.794 0.138 . 1 . . . . . . . . 4789 1 743 . 1 1 68 68 ALA N N 15 120.391 0.109 . 1 . . . . . . . . 4789 1 744 . 1 1 68 68 ALA H H 1 8.634 0.016 . 1 . . . . . . . . 4789 1 745 . 1 1 68 68 ALA CA C 13 54.758 0.138 . 1 . . . . . . . . 4789 1 746 . 1 1 68 68 ALA HA H 1 4.171 0.016 . 1 . . . . . . . . 4789 1 747 . 1 1 68 68 ALA CB C 13 19.908 0.138 . 1 . . . . . . . . 4789 1 748 . 1 1 68 68 ALA HB1 H 1 1.703 0.016 . 1 . . . . . . . . 4789 1 749 . 1 1 68 68 ALA HB2 H 1 1.703 0.016 . 1 . . . . . . . . 4789 1 750 . 1 1 68 68 ALA HB3 H 1 1.703 0.016 . 1 . . . . . . . . 4789 1 751 . 1 1 68 68 ALA C C 13 179.001 0.138 . 1 . . . . . . . . 4789 1 752 . 1 1 69 69 LYS N N 15 114.572 0.109 . 1 . . . . . . . . 4789 1 753 . 1 1 69 69 LYS H H 1 7.077 0.016 . 1 . . . . . . . . 4789 1 754 . 1 1 69 69 LYS CA C 13 57.955 0.138 . 1 . . . . . . . . 4789 1 755 . 1 1 69 69 LYS HA H 1 3.962 0.016 . 1 . . . . . . . . 4789 1 756 . 1 1 69 69 LYS CB C 13 32.440 0.138 . 1 . . . . . . . . 4789 1 757 . 1 1 69 69 LYS HB2 H 1 1.686 0.016 . 2 . . . . . . . . 4789 1 758 . 1 1 69 69 LYS HB3 H 1 1.524 0.016 . 2 . . . . . . . . 4789 1 759 . 1 1 69 69 LYS CG C 13 24.642 0.138 . 1 . . . . . . . . 4789 1 760 . 1 1 69 69 LYS HG2 H 1 1.269 0.016 . 2 . . . . . . . . 4789 1 761 . 1 1 69 69 LYS HG3 H 1 1.387 0.016 . 2 . . . . . . . . 4789 1 762 . 1 1 69 69 LYS CD C 13 28.864 0.138 . 1 . . . . . . . . 4789 1 763 . 1 1 69 69 LYS HD2 H 1 1.636 0.016 . 2 . . . . . . . . 4789 1 764 . 1 1 69 69 LYS CE C 13 41.852 0.138 . 1 . . . . . . . . 4789 1 765 . 1 1 69 69 LYS HE2 H 1 2.957 0.016 . 2 . . . . . . . . 4789 1 766 . 1 1 69 69 LYS C C 13 176.657 0.138 . 1 . . . . . . . . 4789 1 767 . 1 1 70 70 HIS N N 15 113.415 0.109 . 1 . . . . . . . . 4789 1 768 . 1 1 70 70 HIS H H 1 7.134 0.016 . 1 . . . . . . . . 4789 1 769 . 1 1 70 70 HIS CA C 13 54.684 0.138 . 1 . . . . . . . . 4789 1 770 . 1 1 70 70 HIS HA H 1 4.824 0.016 . 1 . . . . . . . . 4789 1 771 . 1 1 70 70 HIS CB C 13 30.478 0.138 . 1 . . . . . . . . 4789 1 772 . 1 1 70 70 HIS HB2 H 1 3.450 0.016 . 2 . . . . . . . . 4789 1 773 . 1 1 70 70 HIS HB3 H 1 2.895 0.016 . 2 . . . . . . . . 4789 1 774 . 1 1 70 70 HIS CD2 C 13 121.546 0.138 . 1 . . . . . . . . 4789 1 775 . 1 1 70 70 HIS HD2 H 1 7.029 0.016 . 2 . . . . . . . . 4789 1 776 . 1 1 70 70 HIS NE2 N 15 174.969 0.109 . 1 . . . . . . . . 4789 1 777 . 1 1 70 70 HIS CE1 C 13 137.476 0.138 . 1 . . . . . . . . 4789 1 778 . 1 1 70 70 HIS HE1 H 1 8.032 0.016 . 1 . . . . . . . . 4789 1 779 . 1 1 70 70 HIS ND1 N 15 184.215 0.109 . 1 . . . . . . . . 4789 1 780 . 1 1 70 70 HIS C C 13 173.535 0.138 . 1 . . . . . . . . 4789 1 781 . 1 1 71 71 CYS N N 15 123.576 0.109 . 1 . . . . . . . . 4789 1 782 . 1 1 71 71 CYS H H 1 7.061 0.016 . 1 . . . . . . . . 4789 1 783 . 1 1 71 71 CYS CA C 13 60.424 0.138 . 1 . . . . . . . . 4789 1 784 . 1 1 71 71 CYS HA H 1 4.158 0.016 . 1 . . . . . . . . 4789 1 785 . 1 1 71 71 CYS CB C 13 30.274 0.138 . 1 . . . . . . . . 4789 1 786 . 1 1 71 71 CYS HB2 H 1 2.495 0.016 . 2 . . . . . . . . 4789 1 787 . 1 1 71 71 CYS HB3 H 1 1.920 0.016 . 2 . . . . . . . . 4789 1 788 . 1 1 71 71 CYS C C 13 176.059 0.138 . 1 . . . . . . . . 4789 1 789 . 1 1 72 72 GLN N N 15 128.275 0.109 . 1 . . . . . . . . 4789 1 790 . 1 1 72 72 GLN H H 1 9.110 0.016 . 1 . . . . . . . . 4789 1 791 . 1 1 72 72 GLN CA C 13 54.607 0.138 . 1 . . . . . . . . 4789 1 792 . 1 1 72 72 GLN HA H 1 4.733 0.016 . 1 . . . . . . . . 4789 1 793 . 1 1 72 72 GLN CB C 13 29.603 0.138 . 1 . . . . . . . . 4789 1 794 . 1 1 72 72 GLN HB2 H 1 2.506 0.016 . 2 . . . . . . . . 4789 1 795 . 1 1 72 72 GLN HB3 H 1 1.723 0.016 . 2 . . . . . . . . 4789 1 796 . 1 1 72 72 GLN CG C 13 31.858 0.138 . 1 . . . . . . . . 4789 1 797 . 1 1 72 72 GLN HG2 H 1 2.407 0.016 . 2 . . . . . . . . 4789 1 798 . 1 1 72 72 GLN HG3 H 1 2.212 0.016 . 2 . . . . . . . . 4789 1 799 . 1 1 72 72 GLN NE2 N 15 112.362 0.109 . 1 . . . . . . . . 4789 1 800 . 1 1 72 72 GLN HE21 H 1 7.411 0.016 . 2 . . . . . . . . 4789 1 801 . 1 1 72 72 GLN HE22 H 1 6.811 0.016 . 2 . . . . . . . . 4789 1 802 . 1 1 72 72 GLN C C 13 175.578 0.138 . 1 . . . . . . . . 4789 1 803 . 1 1 73 73 GLU N N 15 123.335 0.109 . 1 . . . . . . . . 4789 1 804 . 1 1 73 73 GLU H H 1 8.464 0.016 . 1 . . . . . . . . 4789 1 805 . 1 1 73 73 GLU CA C 13 56.010 0.138 . 1 . . . . . . . . 4789 1 806 . 1 1 73 73 GLU HA H 1 4.440 0.016 . 1 . . . . . . . . 4789 1 807 . 1 1 73 73 GLU CB C 13 30.201 0.138 . 1 . . . . . . . . 4789 1 808 . 1 1 73 73 GLU HB2 H 1 2.026 0.016 . 2 . . . . . . . . 4789 1 809 . 1 1 73 73 GLU CG C 13 36.002 0.138 . 1 . . . . . . . . 4789 1 810 . 1 1 73 73 GLU HG2 H 1 2.485 0.016 . 2 . . . . . . . . 4789 1 811 . 1 1 73 73 GLU HG3 H 1 2.445 0.016 . 2 . . . . . . . . 4789 1 812 . 1 1 73 73 GLU C C 13 176.614 0.138 . 1 . . . . . . . . 4789 1 813 . 1 1 74 74 ASN N N 15 124.671 0.109 . 1 . . . . . . . . 4789 1 814 . 1 1 74 74 ASN H H 1 8.895 0.016 . 1 . . . . . . . . 4789 1 815 . 1 1 74 74 ASN CA C 13 55.059 0.138 . 1 . . . . . . . . 4789 1 816 . 1 1 74 74 ASN HA H 1 4.616 0.016 . 1 . . . . . . . . 4789 1 817 . 1 1 74 74 ASN CB C 13 38.666 0.138 . 1 . . . . . . . . 4789 1 818 . 1 1 74 74 ASN HB2 H 1 2.885 0.016 . 2 . . . . . . . . 4789 1 819 . 1 1 74 74 ASN C C 13 175.708 0.138 . 1 . . . . . . . . 4789 1 820 . 1 1 75 75 LYS N N 15 120.838 0.109 . 1 . . . . . . . . 4789 1 821 . 1 1 75 75 LYS H H 1 8.774 0.016 . 1 . . . . . . . . 4789 1 822 . 1 1 75 75 LYS CA C 13 54.860 0.138 . 1 . . . . . . . . 4789 1 823 . 1 1 75 75 LYS HA H 1 4.416 0.016 . 1 . . . . . . . . 4789 1 824 . 1 1 75 75 LYS CB C 13 30.958 0.138 . 1 . . . . . . . . 4789 1 825 . 1 1 75 75 LYS HB2 H 1 1.966 0.016 . 2 . . . . . . . . 4789 1 826 . 1 1 75 75 LYS HB3 H 1 1.739 0.016 . 2 . . . . . . . . 4789 1 827 . 1 1 75 75 LYS CG C 13 24.813 0.138 . 1 . . . . . . . . 4789 1 828 . 1 1 75 75 LYS HG2 H 1 1.437 0.016 . 2 . . . . . . . . 4789 1 829 . 1 1 75 75 LYS CD C 13 29.105 0.138 . 1 . . . . . . . . 4789 1 830 . 1 1 75 75 LYS HD3 H 1 1.759 0.016 . 2 . . . . . . . . 4789 1 831 . 1 1 75 75 LYS CE C 13 41.942 0.138 . 1 . . . . . . . . 4789 1 832 . 1 1 75 75 LYS HE2 H 1 3.044 0.016 . 2 . . . . . . . . 4789 1 833 . 1 1 75 75 LYS C C 13 174.928 0.138 . 1 . . . . . . . . 4789 1 834 . 1 1 76 76 CYS N N 15 124.198 0.109 . 1 . . . . . . . . 4789 1 835 . 1 1 76 76 CYS H H 1 7.238 0.016 . 1 . . . . . . . . 4789 1 836 . 1 1 76 76 CYS CA C 13 57.722 0.138 . 1 . . . . . . . . 4789 1 837 . 1 1 76 76 CYS HA H 1 4.417 0.016 . 1 . . . . . . . . 4789 1 838 . 1 1 76 76 CYS CB C 13 30.715 0.138 . 1 . . . . . . . . 4789 1 839 . 1 1 76 76 CYS HB2 H 1 3.007 0.016 . 2 . . . . . . . . 4789 1 840 . 1 1 76 76 CYS HB3 H 1 2.905 0.016 . 2 . . . . . . . . 4789 1 841 . 1 1 77 77 PRO CA C 13 63.150 0.138 . 1 . . . . . . . . 4789 1 842 . 1 1 77 77 PRO HA H 1 4.736 0.016 . 1 . . . . . . . . 4789 1 843 . 1 1 77 77 PRO CB C 13 32.181 0.138 . 1 . . . . . . . . 4789 1 844 . 1 1 77 77 PRO HB2 H 1 2.120 0.016 . 2 . . . . . . . . 4789 1 845 . 1 1 77 77 PRO HB3 H 1 2.181 0.016 . 2 . . . . . . . . 4789 1 846 . 1 1 77 77 PRO CG C 13 26.939 0.138 . 1 . . . . . . . . 4789 1 847 . 1 1 77 77 PRO HG2 H 1 1.733 0.016 . 2 . . . . . . . . 4789 1 848 . 1 1 77 77 PRO CD C 13 51.412 0.138 . 1 . . . . . . . . 4789 1 849 . 1 1 77 77 PRO HD2 H 1 4.316 0.016 . 2 . . . . . . . . 4789 1 850 . 1 1 77 77 PRO HD3 H 1 3.903 0.016 . 2 . . . . . . . . 4789 1 851 . 1 1 77 77 PRO C C 13 176.492 0.138 . 1 . . . . . . . . 4789 1 852 . 1 1 78 78 VAL N N 15 128.504 0.109 . 1 . . . . . . . . 4789 1 853 . 1 1 78 78 VAL H H 1 8.981 0.016 . 1 . . . . . . . . 4789 1 854 . 1 1 78 78 VAL CA C 13 61.856 0.138 . 1 . . . . . . . . 4789 1 855 . 1 1 78 78 VAL HA H 1 4.405 0.016 . 1 . . . . . . . . 4789 1 856 . 1 1 78 78 VAL CB C 13 31.827 0.138 . 1 . . . . . . . . 4789 1 857 . 1 1 78 78 VAL HB H 1 2.265 0.016 . 1 . . . . . . . . 4789 1 858 . 1 1 78 78 VAL CG2 C 13 23.146 0.138 . 2 . . . . . . . . 4789 1 859 . 1 1 78 78 VAL HG21 H 1 0.530 0.016 . 2 . . . . . . . . 4789 1 860 . 1 1 78 78 VAL HG22 H 1 0.530 0.016 . 2 . . . . . . . . 4789 1 861 . 1 1 78 78 VAL HG23 H 1 0.530 0.016 . 2 . . . . . . . . 4789 1 862 . 1 1 78 78 VAL CG1 C 13 21.080 0.138 . 2 . . . . . . . . 4789 1 863 . 1 1 78 78 VAL HG11 H 1 0.922 0.016 . 2 . . . . . . . . 4789 1 864 . 1 1 78 78 VAL HG12 H 1 0.922 0.016 . 2 . . . . . . . . 4789 1 865 . 1 1 78 78 VAL HG13 H 1 0.922 0.016 . 2 . . . . . . . . 4789 1 866 . 1 1 79 79 PRO CA C 13 64.242 0.138 . 1 . . . . . . . . 4789 1 867 . 1 1 79 79 PRO HA H 1 4.040 0.016 . 1 . . . . . . . . 4789 1 868 . 1 1 79 79 PRO CB C 13 31.301 0.138 . 1 . . . . . . . . 4789 1 869 . 1 1 79 79 PRO HB2 H 1 1.866 0.016 . 2 . . . . . . . . 4789 1 870 . 1 1 79 79 PRO HB3 H 1 1.715 0.016 . 2 . . . . . . . . 4789 1 871 . 1 1 79 79 PRO CG C 13 28.232 0.138 . 1 . . . . . . . . 4789 1 872 . 1 1 79 79 PRO HG2 H 1 1.990 0.016 . 2 . . . . . . . . 4789 1 873 . 1 1 79 79 PRO HG3 H 1 1.951 0.016 . 2 . . . . . . . . 4789 1 874 . 1 1 79 79 PRO CD C 13 51.503 0.138 . 1 . . . . . . . . 4789 1 875 . 1 1 79 79 PRO HD2 H 1 4.237 0.016 . 2 . . . . . . . . 4789 1 876 . 1 1 79 79 PRO HD3 H 1 3.569 0.016 . 2 . . . . . . . . 4789 1 877 . 1 1 80 80 PHE N N 15 122.148 0.109 . 1 . . . . . . . . 4789 1 878 . 1 1 80 80 PHE H H 1 7.815 0.016 . 1 . . . . . . . . 4789 1 879 . 1 1 80 80 PHE CA C 13 59.811 0.138 . 1 . . . . . . . . 4789 1 880 . 1 1 80 80 PHE HA H 1 4.279 0.016 . 1 . . . . . . . . 4789 1 881 . 1 1 80 80 PHE CB C 13 37.445 0.138 . 1 . . . . . . . . 4789 1 882 . 1 1 80 80 PHE HB2 H 1 3.468 0.016 . 2 . . . . . . . . 4789 1 883 . 1 1 80 80 PHE HE2 H 1 7.375 0.016 . 1 . . . . . . . . 4789 1 884 . 1 1 80 80 PHE HE1 H 1 7.375 0.016 . 1 . . . . . . . . 4789 1 885 . 1 1 80 80 PHE C C 13 181.149 0.138 . 1 . . . . . . . . 4789 1 886 . 1 1 81 81 CYS N N 15 124.267 0.109 . 1 . . . . . . . . 4789 1 887 . 1 1 81 81 CYS H H 1 7.740 0.016 . 1 . . . . . . . . 4789 1 888 . 1 1 81 81 CYS CA C 13 63.993 0.138 . 1 . . . . . . . . 4789 1 889 . 1 1 81 81 CYS HA H 1 4.182 0.016 . 1 . . . . . . . . 4789 1 890 . 1 1 81 81 CYS CB C 13 29.712 0.138 . 1 . . . . . . . . 4789 1 891 . 1 1 81 81 CYS HB2 H 1 2.851 0.016 . 2 . . . . . . . . 4789 1 892 . 1 1 81 81 CYS HB3 H 1 3.263 0.016 . 2 . . . . . . . . 4789 1 893 . 1 1 81 81 CYS C C 13 176.758 0.138 . 1 . . . . . . . . 4789 1 894 . 1 1 82 82 LEU N N 15 117.718 0.109 . 1 . . . . . . . . 4789 1 895 . 1 1 82 82 LEU H H 1 8.076 0.016 . 1 . . . . . . . . 4789 1 896 . 1 1 82 82 LEU CA C 13 57.426 0.138 . 1 . . . . . . . . 4789 1 897 . 1 1 82 82 LEU HA H 1 4.196 0.016 . 1 . . . . . . . . 4789 1 898 . 1 1 82 82 LEU CB C 13 41.657 0.138 . 1 . . . . . . . . 4789 1 899 . 1 1 82 82 LEU HB2 H 1 1.809 0.016 . 2 . . . . . . . . 4789 1 900 . 1 1 82 82 LEU HB3 H 1 1.662 0.016 . 2 . . . . . . . . 4789 1 901 . 1 1 82 82 LEU CG C 13 27.259 0.138 . 1 . . . . . . . . 4789 1 902 . 1 1 82 82 LEU HG H 1 1.816 0.016 . 1 . . . . . . . . 4789 1 903 . 1 1 82 82 LEU C C 13 178.464 0.138 . 1 . . . . . . . . 4789 1 904 . 1 1 83 83 ASN N N 15 116.955 0.109 . 1 . . . . . . . . 4789 1 905 . 1 1 83 83 ASN H H 1 7.995 0.016 . 1 . . . . . . . . 4789 1 906 . 1 1 83 83 ASN CA C 13 55.392 0.138 . 1 . . . . . . . . 4789 1 907 . 1 1 83 83 ASN HA H 1 4.639 0.016 . 1 . . . . . . . . 4789 1 908 . 1 1 83 83 ASN CB C 13 38.975 0.138 . 1 . . . . . . . . 4789 1 909 . 1 1 83 83 ASN HB2 H 1 2.991 0.016 . 2 . . . . . . . . 4789 1 910 . 1 1 83 83 ASN ND2 N 15 112.186 0.109 . 1 . . . . . . . . 4789 1 911 . 1 1 83 83 ASN HD21 H 1 7.641 0.016 . 2 . . . . . . . . 4789 1 912 . 1 1 83 83 ASN HD22 H 1 6.878 0.016 . 2 . . . . . . . . 4789 1 913 . 1 1 83 83 ASN C C 13 176.696 0.138 . 1 . . . . . . . . 4789 1 914 . 1 1 84 84 ILE N N 15 120.345 0.109 . 1 . . . . . . . . 4789 1 915 . 1 1 84 84 ILE H H 1 8.226 0.016 . 1 . . . . . . . . 4789 1 916 . 1 1 84 84 ILE CA C 13 63.155 0.138 . 1 . . . . . . . . 4789 1 917 . 1 1 84 84 ILE HA H 1 4.013 0.016 . 1 . . . . . . . . 4789 1 918 . 1 1 84 84 ILE CB C 13 38.681 0.138 . 1 . . . . . . . . 4789 1 919 . 1 1 84 84 ILE CG1 C 13 28.324 0.138 . 2 . . . . . . . . 4789 1 920 . 1 1 84 84 ILE HG12 H 1 1.767 0.016 . 1 . . . . . . . . 4789 1 921 . 1 1 84 84 ILE HG13 H 1 1.767 0.016 . 1 . . . . . . . . 4789 1 922 . 1 1 84 84 ILE CD1 C 13 14.291 0.138 . 1 . . . . . . . . 4789 1 923 . 1 1 84 84 ILE HD11 H 1 0.933 0.016 . 1 . . . . . . . . 4789 1 924 . 1 1 84 84 ILE HD12 H 1 0.933 0.016 . 1 . . . . . . . . 4789 1 925 . 1 1 84 84 ILE HD13 H 1 0.933 0.016 . 1 . . . . . . . . 4789 1 926 . 1 1 84 84 ILE CG2 C 13 18.112 0.138 . 2 . . . . . . . . 4789 1 927 . 1 1 84 84 ILE HG21 H 1 1.104 0.016 . 1 . . . . . . . . 4789 1 928 . 1 1 84 84 ILE HG22 H 1 1.104 0.016 . 1 . . . . . . . . 4789 1 929 . 1 1 84 84 ILE HG23 H 1 1.104 0.016 . 1 . . . . . . . . 4789 1 930 . 1 1 84 84 ILE C C 13 177.300 0.138 . 1 . . . . . . . . 4789 1 931 . 1 1 85 85 LYS N N 15 120.851 0.109 . 1 . . . . . . . . 4789 1 932 . 1 1 85 85 LYS H H 1 8.234 0.016 . 1 . . . . . . . . 4789 1 933 . 1 1 85 85 LYS CA C 13 57.898 0.138 . 1 . . . . . . . . 4789 1 934 . 1 1 85 85 LYS HA H 1 4.224 0.016 . 1 . . . . . . . . 4789 1 935 . 1 1 85 85 LYS CB C 13 33.589 0.138 . 1 . . . . . . . . 4789 1 936 . 1 1 85 85 LYS HB2 H 1 1.936 0.016 . 2 . . . . . . . . 4789 1 937 . 1 1 85 85 LYS HB3 H 1 1.824 0.016 . 2 . . . . . . . . 4789 1 938 . 1 1 85 85 LYS CG C 13 24.879 0.138 . 1 . . . . . . . . 4789 1 939 . 1 1 85 85 LYS HG2 H 1 1.502 0.016 . 2 . . . . . . . . 4789 1 940 . 1 1 85 85 LYS CD C 13 29.782 0.138 . 1 . . . . . . . . 4789 1 941 . 1 1 85 85 LYS HD2 H 1 1.803 0.016 . 2 . . . . . . . . 4789 1 942 . 1 1 85 85 LYS CE C 13 42.011 0.138 . 1 . . . . . . . . 4789 1 943 . 1 1 85 85 LYS HE2 H 1 3.088 0.016 . 2 . . . . . . . . 4789 1 944 . 1 1 85 85 LYS C C 13 176.610 0.138 . 1 . . . . . . . . 4789 1 945 . 1 1 86 86 HIS N N 15 118.241 0.109 . 1 . . . . . . . . 4789 1 946 . 1 1 86 86 HIS H H 1 8.005 0.016 . 1 . . . . . . . . 4789 1 947 . 1 1 86 86 HIS CA C 13 55.737 0.138 . 1 . . . . . . . . 4789 1 948 . 1 1 86 86 HIS HA H 1 4.719 0.016 . 1 . . . . . . . . 4789 1 949 . 1 1 86 86 HIS CB C 13 29.069 0.138 . 1 . . . . . . . . 4789 1 950 . 1 1 86 86 HIS HB2 H 1 3.404 0.016 . 2 . . . . . . . . 4789 1 951 . 1 1 86 86 HIS HB3 H 1 3.317 0.016 . 2 . . . . . . . . 4789 1 952 . 1 1 86 86 HIS CD2 C 13 120.289 0.138 . 1 . . . . . . . . 4789 1 953 . 1 1 86 86 HIS HD2 H 1 7.310 0.016 . 2 . . . . . . . . 4789 1 954 . 1 1 86 86 HIS NE2 N 15 167.311 0.109 . 1 . . . . . . . . 4789 1 955 . 1 1 86 86 HIS CE1 C 13 136.849 0.138 . 1 . . . . . . . . 4789 1 956 . 1 1 86 86 HIS HE1 H 1 8.479 0.016 . 1 . . . . . . . . 4789 1 957 . 1 1 86 86 HIS ND1 N 15 175.560 0.109 . 1 . . . . . . . . 4789 1 958 . 1 1 86 86 HIS C C 13 173.730 0.138 . 1 . . . . . . . . 4789 1 959 . 1 1 87 87 LYS N N 15 127.601 0.109 . 1 . . . . . . . . 4789 1 960 . 1 1 87 87 LYS H H 1 7.976 0.016 . 1 . . . . . . . . 4789 1 961 . 1 1 87 87 LYS CA C 13 57.908 0.138 . 1 . . . . . . . . 4789 1 962 . 1 1 87 87 LYS HA H 1 4.224 0.016 . 1 . . . . . . . . 4789 1 963 . 1 1 87 87 LYS CB C 13 33.587 0.138 . 1 . . . . . . . . 4789 1 964 . 1 1 87 87 LYS HB2 H 1 1.936 0.016 . 2 . . . . . . . . 4789 1 965 . 1 1 87 87 LYS HB3 H 1 1.824 0.016 . 2 . . . . . . . . 4789 1 966 . 1 1 87 87 LYS CG C 13 24.904 0.138 . 1 . . . . . . . . 4789 1 967 . 1 1 87 87 LYS HG2 H 1 1.507 0.016 . 2 . . . . . . . . 4789 1 968 . 1 1 87 87 LYS CD C 13 29.857 0.138 . 1 . . . . . . . . 4789 1 969 . 1 1 87 87 LYS HD2 H 1 1.816 0.016 . 2 . . . . . . . . 4789 1 970 . 1 1 87 87 LYS CE C 13 42.032 0.138 . 1 . . . . . . . . 4789 1 971 . 1 1 87 87 LYS HE2 H 1 3.085 0.016 . 2 . . . . . . . . 4789 1 stop_ save_