################################### # 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 5599 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_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 . 5599 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO CA C 13 63.383 0.075 . 1 . . . . . . . . 5599 1 2 . 1 1 2 2 PRO HA H 1 4.524 0.0090 . 1 . . . . . . . . 5599 1 3 . 1 1 2 2 PRO C C 13 176.431 0.0 . 1 . . . . . . . . 5599 1 4 . 1 1 2 2 PRO CB C 13 32.497 0.045 . 1 . . . . . . . . 5599 1 5 . 1 1 2 2 PRO HB2 H 1 2.31 0.0060 . 1 . . . . . . . . 5599 1 6 . 1 1 2 2 PRO HB3 H 1 1.96 0.0060 . 1 . . . . . . . . 5599 1 7 . 1 1 2 2 PRO CG C 13 28.019 0.02 . 1 . . . . . . . . 5599 1 8 . 1 1 2 2 PRO HG2 H 1 2.08 0.0030 . 1 . . . . . . . . 5599 1 9 . 1 1 2 2 PRO CD C 13 51.109 0.019 . 1 . . . . . . . . 5599 1 10 . 1 1 2 2 PRO HD2 H 1 3.892 0.011 . 1 . . . . . . . . 5599 1 11 . 1 1 2 2 PRO HD3 H 1 3.698 0.0050 . 1 . . . . . . . . 5599 1 12 . 1 1 3 3 ILE H H 1 8.153 0.0040 . 1 . . . . . . . . 5599 1 13 . 1 1 3 3 ILE N N 15 121.425 0.253 . 1 . . . . . . . . 5599 1 14 . 1 1 3 3 ILE CA C 13 62.191 0.091 . 1 . . . . . . . . 5599 1 15 . 1 1 3 3 ILE HA H 1 4.13 0.0060 . 1 . . . . . . . . 5599 1 16 . 1 1 3 3 ILE C C 13 176.045 0.039 . 1 . . . . . . . . 5599 1 17 . 1 1 3 3 ILE CB C 13 39.259 0.068 . 1 . . . . . . . . 5599 1 18 . 1 1 3 3 ILE HB H 1 1.871 0.012 . 1 . . . . . . . . 5599 1 19 . 1 1 3 3 ILE CG2 C 13 20.729 4.205 . 1 . . . . . . . . 5599 1 20 . 1 1 3 3 ILE CG1 C 13 28.07 0.055 . 1 . . . . . . . . 5599 1 21 . 1 1 3 3 ILE HG12 H 1 1.226 0.0060 . 1 . . . . . . . . 5599 1 22 . 1 1 3 3 ILE HG13 H 1 0.949 0.0020 . 1 . . . . . . . . 5599 1 23 . 1 1 3 3 ILE CD1 C 13 13.599 0.01 . 1 . . . . . . . . 5599 1 24 . 1 1 3 3 ILE HD11 H 1 0.894 0.0050 . 1 . . . . . . . . 5599 1 25 . 1 1 3 3 ILE HD12 H 1 0.894 0.0050 . 1 . . . . . . . . 5599 1 26 . 1 1 3 3 ILE HD13 H 1 0.894 0.0050 . 1 . . . . . . . . 5599 1 27 . 1 1 4 4 CYS H H 1 8.354 0.0080 . 1 . . . . . . . . 5599 1 28 . 1 1 4 4 CYS N N 15 122.716 0.06 . 1 . . . . . . . . 5599 1 29 . 1 1 4 4 CYS CA C 13 53.58 0.023 . 1 . . . . . . . . 5599 1 30 . 1 1 4 4 CYS HA H 1 5.072 0.01 . 1 . . . . . . . . 5599 1 31 . 1 1 4 4 CYS C C 13 172.856 0.0 . 1 . . . . . . . . 5599 1 32 . 1 1 4 4 CYS CB C 13 41.401 0.0010 . 1 . . . . . . . . 5599 1 33 . 1 1 4 4 CYS HB2 H 1 3.053 0.0090 . 1 . . . . . . . . 5599 1 34 . 1 1 4 4 CYS HB3 H 1 3.163 0.0090 . 1 . . . . . . . . 5599 1 35 . 1 1 5 5 PRO C C 13 175.329 0.0 . 1 . . . . . . . . 5599 1 36 . 1 1 6 6 GLY H H 1 8.055 0.0 . 1 . . . . . . . . 5599 1 37 . 1 1 6 6 GLY N N 15 108.957 0.013 . 1 . . . . . . . . 5599 1 38 . 1 1 6 6 GLY CA C 13 46.123 0.149 . 1 . . . . . . . . 5599 1 39 . 1 1 6 6 GLY HA2 H 1 4.028 0.0080 . 1 . . . . . . . . 5599 1 40 . 1 1 6 6 GLY C C 13 175.083 0.0 . 1 . . . . . . . . 5599 1 41 . 1 1 7 7 GLY H H 1 8.173 0.0010 . 1 . . . . . . . . 5599 1 42 . 1 1 7 7 GLY N N 15 109.772 0.0080 . 1 . . . . . . . . 5599 1 43 . 1 1 7 7 GLY CA C 13 45.892 0.075 . 1 . . . . . . . . 5599 1 44 . 1 1 7 7 GLY HA2 H 1 3.857 0.0050 . 1 . . . . . . . . 5599 1 45 . 1 1 7 7 GLY HA3 H 1 4.185 0.0090 . 1 . . . . . . . . 5599 1 46 . 1 1 7 7 GLY C C 13 174.222 0.0 . 1 . . . . . . . . 5599 1 47 . 1 1 8 8 ALA H H 1 7.701 0.0050 . 1 . . . . . . . . 5599 1 48 . 1 1 8 8 ALA N N 15 123.839 0.03 . 1 . . . . . . . . 5599 1 49 . 1 1 8 8 ALA CA C 13 53.7 0.065 . 1 . . . . . . . . 5599 1 50 . 1 1 8 8 ALA HA H 1 4.267 0.0040 . 1 . . . . . . . . 5599 1 51 . 1 1 8 8 ALA C C 13 177.866 0.0 . 1 . . . . . . . . 5599 1 52 . 1 1 8 8 ALA CB C 13 19.769 0.061 . 1 . . . . . . . . 5599 1 53 . 1 1 8 8 ALA HB1 H 1 1.49 0.0040 . 1 . . . . . . . . 5599 1 54 . 1 1 8 8 ALA HB2 H 1 1.49 0.0040 . 1 . . . . . . . . 5599 1 55 . 1 1 8 8 ALA HB3 H 1 1.49 0.0040 . 1 . . . . . . . . 5599 1 56 . 1 1 9 9 ALA H H 1 8.296 0.011 . 1 . . . . . . . . 5599 1 57 . 1 1 9 9 ALA N N 15 122.683 0.126 . 1 . . . . . . . . 5599 1 58 . 1 1 9 9 ALA CA C 13 54.373 0.074 . 1 . . . . . . . . 5599 1 59 . 1 1 9 9 ALA HA H 1 4.248 0.0070 . 1 . . . . . . . . 5599 1 60 . 1 1 9 9 ALA C C 13 178.503 0.0 . 1 . . . . . . . . 5599 1 61 . 1 1 9 9 ALA CB C 13 19.573 0.15 . 1 . . . . . . . . 5599 1 62 . 1 1 9 9 ALA HB1 H 1 1.484 0.0070 . 1 . . . . . . . . 5599 1 63 . 1 1 9 9 ALA HB2 H 1 1.484 0.0070 . 1 . . . . . . . . 5599 1 64 . 1 1 9 9 ALA HB3 H 1 1.484 0.0070 . 1 . . . . . . . . 5599 1 65 . 1 1 10 10 ARG H H 1 7.867 0.0020 . 1 . . . . . . . . 5599 1 66 . 1 1 10 10 ARG N N 15 116.776 0.023 . 1 . . . . . . . . 5599 1 67 . 1 1 10 10 ARG CA C 13 56.277 0.046 . 1 . . . . . . . . 5599 1 68 . 1 1 10 10 ARG HA H 1 4.46 0.018 . 1 . . . . . . . . 5599 1 69 . 1 1 10 10 ARG C C 13 175.798 0.0010 . 1 . . . . . . . . 5599 1 70 . 1 1 10 10 ARG CB C 13 31.379 0.103 . 1 . . . . . . . . 5599 1 71 . 1 1 10 10 ARG HB2 H 1 1.933 0.0080 . 1 . . . . . . . . 5599 1 72 . 1 1 10 10 ARG HB3 H 1 1.821 0.0030 . 1 . . . . . . . . 5599 1 73 . 1 1 10 10 ARG CG C 13 27.615 0.027 . 1 . . . . . . . . 5599 1 74 . 1 1 10 10 ARG HG2 H 1 1.645 0.0090 . 1 . . . . . . . . 5599 1 75 . 1 1 10 10 ARG CD C 13 43.926 0.054 . 1 . . . . . . . . 5599 1 76 . 1 1 10 10 ARG HD2 H 1 3.252 0.01 . 1 . . . . . . . . 5599 1 77 . 1 1 11 11 CYS H H 1 8.069 0.0040 . 1 . . . . . . . . 5599 1 78 . 1 1 11 11 CYS N N 15 118.635 0.068 . 1 . . . . . . . . 5599 1 79 . 1 1 11 11 CYS CA C 13 56.457 0.013 . 1 . . . . . . . . 5599 1 80 . 1 1 11 11 CYS C C 13 174.049 0.0 . 1 . . . . . . . . 5599 1 81 . 1 1 11 11 CYS CB C 13 41.239 0.0 . 1 . . . . . . . . 5599 1 82 . 1 1 12 12 GLN CA C 13 56.962 0.06 . 1 . . . . . . . . 5599 1 83 . 1 1 12 12 GLN HA H 1 4.427 0.012 . 1 . . . . . . . . 5599 1 84 . 1 1 12 12 GLN C C 13 175.603 0.022 . 1 . . . . . . . . 5599 1 85 . 1 1 12 12 GLN CB C 13 29.841 0.07 . 1 . . . . . . . . 5599 1 86 . 1 1 12 12 GLN HB2 H 1 2.139 0.025 . 1 . . . . . . . . 5599 1 87 . 1 1 12 12 GLN CG C 13 34.3 0.0 . 1 . . . . . . . . 5599 1 88 . 1 1 12 12 GLN HG2 H 1 2.417 0.0020 . 1 . . . . . . . . 5599 1 89 . 1 1 13 13 VAL H H 1 7.942 0.0040 . 1 . . . . . . . . 5599 1 90 . 1 1 13 13 VAL N N 15 122.278 0.097 . 1 . . . . . . . . 5599 1 91 . 1 1 13 13 VAL CA C 13 62.637 0.052 . 1 . . . . . . . . 5599 1 92 . 1 1 13 13 VAL HA H 1 4.36 0.0080 . 1 . . . . . . . . 5599 1 93 . 1 1 13 13 VAL C C 13 176.051 0.0 . 1 . . . . . . . . 5599 1 94 . 1 1 13 13 VAL CB C 13 33.829 0.069 . 1 . . . . . . . . 5599 1 95 . 1 1 13 13 VAL HB H 1 2.122 0.0020 . 1 . . . . . . . . 5599 1 96 . 1 1 13 13 VAL CG1 C 13 21.702 0.099 . 1 . . . . . . . . 5599 1 97 . 1 1 13 13 VAL HG11 H 1 1.016 0.0040 . 1 . . . . . . . . 5599 1 98 . 1 1 13 13 VAL HG12 H 1 1.016 0.0040 . 1 . . . . . . . . 5599 1 99 . 1 1 13 13 VAL HG13 H 1 1.016 0.0040 . 1 . . . . . . . . 5599 1 100 . 1 1 14 14 THR H H 1 8.502 0.0020 . 1 . . . . . . . . 5599 1 101 . 1 1 14 14 THR N N 15 117.474 0.042 . 1 . . . . . . . . 5599 1 102 . 1 1 14 14 THR CA C 13 62.18 0.14 . 1 . . . . . . . . 5599 1 103 . 1 1 14 14 THR HA H 1 4.571 0.015 . 1 . . . . . . . . 5599 1 104 . 1 1 14 14 THR C C 13 175.542 0.0 . 1 . . . . . . . . 5599 1 105 . 1 1 14 14 THR CB C 13 71.749 0.0 . 1 . . . . . . . . 5599 1 106 . 1 1 14 14 THR HB H 1 4.615 0.0 . 1 . . . . . . . . 5599 1 107 . 1 1 14 14 THR CG2 C 13 22.43 0.0 . 1 . . . . . . . . 5599 1 108 . 1 1 14 14 THR HG21 H 1 1.372 0.0050 . 1 . . . . . . . . 5599 1 109 . 1 1 14 14 THR HG22 H 1 1.372 0.0050 . 1 . . . . . . . . 5599 1 110 . 1 1 14 14 THR HG23 H 1 1.372 0.0050 . 1 . . . . . . . . 5599 1 111 . 1 1 15 15 LEU H H 1 8.57 0.0060 . 1 . . . . . . . . 5599 1 112 . 1 1 15 15 LEU N N 15 123.251 0.031 . 1 . . . . . . . . 5599 1 113 . 1 1 15 15 LEU CA C 13 58.814 0.102 . 1 . . . . . . . . 5599 1 114 . 1 1 15 15 LEU HA H 1 4.113 0.0090 . 1 . . . . . . . . 5599 1 115 . 1 1 15 15 LEU C C 13 178.876 0.0 . 1 . . . . . . . . 5599 1 116 . 1 1 15 15 LEU CB C 13 42.265 0.105 . 1 . . . . . . . . 5599 1 117 . 1 1 15 15 LEU HB2 H 1 1.811 0.012 . 1 . . . . . . . . 5599 1 118 . 1 1 15 15 LEU CD1 C 13 25.861 0.293 . 1 . . . . . . . . 5599 1 119 . 1 1 15 15 LEU HD11 H 1 1.016 0.018 . 1 . . . . . . . . 5599 1 120 . 1 1 15 15 LEU HD12 H 1 1.016 0.018 . 1 . . . . . . . . 5599 1 121 . 1 1 15 15 LEU HD13 H 1 1.016 0.018 . 1 . . . . . . . . 5599 1 122 . 1 1 16 16 ARG H H 1 8.315 0.0040 . 1 . . . . . . . . 5599 1 123 . 1 1 16 16 ARG N N 15 119.124 0.032 . 1 . . . . . . . . 5599 1 124 . 1 1 16 16 ARG CA C 13 60.733 0.085 . 1 . . . . . . . . 5599 1 125 . 1 1 16 16 ARG HA H 1 3.957 0.017 . 1 . . . . . . . . 5599 1 126 . 1 1 16 16 ARG C C 13 177.788 0.0 . 1 . . . . . . . . 5599 1 127 . 1 1 16 16 ARG CB C 13 30.304 0.09 . 1 . . . . . . . . 5599 1 128 . 1 1 16 16 ARG HB2 H 1 1.931 0.01 . 1 . . . . . . . . 5599 1 129 . 1 1 16 16 ARG CG C 13 27.308 0.0 . 1 . . . . . . . . 5599 1 130 . 1 1 16 16 ARG HG2 H 1 1.699 0.011 . 1 . . . . . . . . 5599 1 131 . 1 1 16 16 ARG CD C 13 43.854 0.118 . 1 . . . . . . . . 5599 1 132 . 1 1 16 16 ARG HD2 H 1 3.244 0.0060 . 1 . . . . . . . . 5599 1 133 . 1 1 17 17 ASP H H 1 7.598 0.015 . 1 . . . . . . . . 5599 1 134 . 1 1 17 17 ASP N N 15 120.099 0.065 . 1 . . . . . . . . 5599 1 135 . 1 1 17 17 ASP CA C 13 58.188 0.072 . 1 . . . . . . . . 5599 1 136 . 1 1 17 17 ASP HA H 1 4.492 0.0080 . 1 . . . . . . . . 5599 1 137 . 1 1 17 17 ASP C C 13 179.234 0.0 . 1 . . . . . . . . 5599 1 138 . 1 1 17 17 ASP CB C 13 41.33 0.202 . 1 . . . . . . . . 5599 1 139 . 1 1 17 17 ASP HB2 H 1 2.994 0.0070 . 1 . . . . . . . . 5599 1 140 . 1 1 17 17 ASP HB3 H 1 2.728 0.0060 . 1 . . . . . . . . 5599 1 141 . 1 1 18 18 LEU H H 1 8.116 0.0060 . 1 . . . . . . . . 5599 1 142 . 1 1 18 18 LEU N N 15 120.485 0.073 . 1 . . . . . . . . 5599 1 143 . 1 1 18 18 LEU CA C 13 58.651 0.098 . 1 . . . . . . . . 5599 1 144 . 1 1 18 18 LEU HA H 1 3.963 0.0 . 1 . . . . . . . . 5599 1 145 . 1 1 18 18 LEU C C 13 180.331 0.0 . 1 . . . . . . . . 5599 1 146 . 1 1 18 18 LEU CB C 13 42.391 0.147 . 1 . . . . . . . . 5599 1 147 . 1 1 18 18 LEU HB2 H 1 1.951 0.0 . 1 . . . . . . . . 5599 1 148 . 1 1 18 18 LEU CD1 C 13 24.041 0.129 . 1 . . . . . . . . 5599 1 149 . 1 1 18 18 LEU HD11 H 1 0.809 0.018 . 1 . . . . . . . . 5599 1 150 . 1 1 18 18 LEU HD12 H 1 0.809 0.018 . 1 . . . . . . . . 5599 1 151 . 1 1 18 18 LEU HD13 H 1 0.809 0.018 . 1 . . . . . . . . 5599 1 152 . 1 1 19 19 PHE H H 1 8.534 0.0040 . 1 . . . . . . . . 5599 1 153 . 1 1 19 19 PHE N N 15 120.208 0.041 . 1 . . . . . . . . 5599 1 154 . 1 1 19 19 PHE CA C 13 63.859 0.087 . 1 . . . . . . . . 5599 1 155 . 1 1 19 19 PHE HA H 1 4.125 0.0090 . 1 . . . . . . . . 5599 1 156 . 1 1 19 19 PHE C C 13 177.943 0.0 . 1 . . . . . . . . 5599 1 157 . 1 1 19 19 PHE CB C 13 39.916 0.038 . 1 . . . . . . . . 5599 1 158 . 1 1 19 19 PHE HB2 H 1 2.934 0.012 . 1 . . . . . . . . 5599 1 159 . 1 1 19 19 PHE HB3 H 1 3.14 0.017 . 1 . . . . . . . . 5599 1 160 . 1 1 20 20 ASP H H 1 8.436 0.0040 . 1 . . . . . . . . 5599 1 161 . 1 1 20 20 ASP N N 15 120.96 0.053 . 1 . . . . . . . . 5599 1 162 . 1 1 20 20 ASP CA C 13 58.352 0.087 . 1 . . . . . . . . 5599 1 163 . 1 1 20 20 ASP HA H 1 4.54 0.0050 . 1 . . . . . . . . 5599 1 164 . 1 1 20 20 ASP C C 13 179.184 0.0 . 1 . . . . . . . . 5599 1 165 . 1 1 20 20 ASP CB C 13 40.751 0.139 . 1 . . . . . . . . 5599 1 166 . 1 1 20 20 ASP HB2 H 1 2.75 0.0060 . 1 . . . . . . . . 5599 1 167 . 1 1 20 20 ASP HB3 H 1 2.974 0.0030 . 1 . . . . . . . . 5599 1 168 . 1 1 21 21 ARG H H 1 7.822 0.0040 . 1 . . . . . . . . 5599 1 169 . 1 1 21 21 ARG N N 15 119.095 0.064 . 1 . . . . . . . . 5599 1 170 . 1 1 21 21 ARG CA C 13 59.261 0.077 . 1 . . . . . . . . 5599 1 171 . 1 1 21 21 ARG HA H 1 4.105 0.014 . 1 . . . . . . . . 5599 1 172 . 1 1 21 21 ARG C C 13 178.627 0.021 . 1 . . . . . . . . 5599 1 173 . 1 1 21 21 ARG CB C 13 30.871 0.077 . 1 . . . . . . . . 5599 1 174 . 1 1 21 21 ARG HB2 H 1 1.97 0.0060 . 1 . . . . . . . . 5599 1 175 . 1 1 21 21 ARG CG C 13 27.944 0.041 . 1 . . . . . . . . 5599 1 176 . 1 1 21 21 ARG HG2 H 1 1.766 0.01 . 1 . . . . . . . . 5599 1 177 . 1 1 21 21 ARG CD C 13 44.512 0.0 . 1 . . . . . . . . 5599 1 178 . 1 1 21 21 ARG HD2 H 1 3.173 0.0070 . 1 . . . . . . . . 5599 1 179 . 1 1 22 22 ALA H H 1 8.036 0.0080 . 1 . . . . . . . . 5599 1 180 . 1 1 22 22 ALA N N 15 123.182 0.033 . 1 . . . . . . . . 5599 1 181 . 1 1 22 22 ALA CA C 13 56.067 0.103 . 1 . . . . . . . . 5599 1 182 . 1 1 22 22 ALA HA H 1 4.064 0.0070 . 1 . . . . . . . . 5599 1 183 . 1 1 22 22 ALA C C 13 178.802 0.0 . 1 . . . . . . . . 5599 1 184 . 1 1 22 22 ALA CB C 13 18.728 0.159 . 1 . . . . . . . . 5599 1 185 . 1 1 22 22 ALA HB1 H 1 1.445 0.0010 . 1 . . . . . . . . 5599 1 186 . 1 1 22 22 ALA HB2 H 1 1.445 0.0010 . 1 . . . . . . . . 5599 1 187 . 1 1 22 22 ALA HB3 H 1 1.445 0.0010 . 1 . . . . . . . . 5599 1 188 . 1 1 23 23 VAL H H 1 8.064 0.0070 . 1 . . . . . . . . 5599 1 189 . 1 1 23 23 VAL N N 15 115.493 0.093 . 1 . . . . . . . . 5599 1 190 . 1 1 23 23 VAL CA C 13 65.17 0.091 . 1 . . . . . . . . 5599 1 191 . 1 1 23 23 VAL HA H 1 4.507 0.012 . 1 . . . . . . . . 5599 1 192 . 1 1 23 23 VAL C C 13 179.225 0.0 . 1 . . . . . . . . 5599 1 193 . 1 1 23 23 VAL CB C 13 32.136 0.137 . 1 . . . . . . . . 5599 1 194 . 1 1 23 23 VAL HB H 1 2.378 0.0020 . 1 . . . . . . . . 5599 1 195 . 1 1 23 23 VAL CG1 C 13 22.547 0.147 . 1 . . . . . . . . 5599 1 196 . 1 1 23 23 VAL HG11 H 1 1.206 0.0030 . 1 . . . . . . . . 5599 1 197 . 1 1 23 23 VAL HG12 H 1 1.206 0.0030 . 1 . . . . . . . . 5599 1 198 . 1 1 23 23 VAL HG13 H 1 1.206 0.0030 . 1 . . . . . . . . 5599 1 199 . 1 1 23 23 VAL CG2 C 13 22.947 0.135 . 1 . . . . . . . . 5599 1 200 . 1 1 23 23 VAL HG21 H 1 1.094 0.0020 . 1 . . . . . . . . 5599 1 201 . 1 1 23 23 VAL HG22 H 1 1.094 0.0020 . 1 . . . . . . . . 5599 1 202 . 1 1 23 23 VAL HG23 H 1 1.094 0.0020 . 1 . . . . . . . . 5599 1 203 . 1 1 24 24 VAL H H 1 7.432 0.0050 . 1 . . . . . . . . 5599 1 204 . 1 1 24 24 VAL N N 15 122.998 0.023 . 1 . . . . . . . . 5599 1 205 . 1 1 24 24 VAL CA C 13 67.309 0.134 . 1 . . . . . . . . 5599 1 206 . 1 1 24 24 VAL HA H 1 3.851 0.0070 . 1 . . . . . . . . 5599 1 207 . 1 1 24 24 VAL C C 13 179.398 0.0 . 1 . . . . . . . . 5599 1 208 . 1 1 24 24 VAL CB C 13 32.288 0.088 . 1 . . . . . . . . 5599 1 209 . 1 1 24 24 VAL HB H 1 2.252 0.0060 . 1 . . . . . . . . 5599 1 210 . 1 1 24 24 VAL CG1 C 13 22.245 0.02 . 1 . . . . . . . . 5599 1 211 . 1 1 24 24 VAL HG11 H 1 1.002 0.011 . 1 . . . . . . . . 5599 1 212 . 1 1 24 24 VAL HG12 H 1 1.002 0.011 . 1 . . . . . . . . 5599 1 213 . 1 1 24 24 VAL HG13 H 1 1.002 0.011 . 1 . . . . . . . . 5599 1 214 . 1 1 24 24 VAL CG2 C 13 23.876 0.06 . 1 . . . . . . . . 5599 1 215 . 1 1 24 24 VAL HG21 H 1 1.153 0.0070 . 1 . . . . . . . . 5599 1 216 . 1 1 24 24 VAL HG22 H 1 1.153 0.0070 . 1 . . . . . . . . 5599 1 217 . 1 1 24 24 VAL HG23 H 1 1.153 0.0070 . 1 . . . . . . . . 5599 1 218 . 1 1 25 25 LEU H H 1 7.819 0.013 . 1 . . . . . . . . 5599 1 219 . 1 1 25 25 LEU N N 15 121.376 0.084 . 1 . . . . . . . . 5599 1 220 . 1 1 25 25 LEU CA C 13 58.679 0.049 . 1 . . . . . . . . 5599 1 221 . 1 1 25 25 LEU HA H 1 4.331 0.014 . 1 . . . . . . . . 5599 1 222 . 1 1 25 25 LEU C C 13 179.013 0.0 . 1 . . . . . . . . 5599 1 223 . 1 1 25 25 LEU CB C 13 43.634 0.082 . 1 . . . . . . . . 5599 1 224 . 1 1 25 25 LEU HB2 H 1 2.099 0.021 . 1 . . . . . . . . 5599 1 225 . 1 1 25 25 LEU CG C 13 24.737 0.0 . 1 . . . . . . . . 5599 1 226 . 1 1 25 25 LEU CD1 C 13 25.121 0.0 . 1 . . . . . . . . 5599 1 227 . 1 1 25 25 LEU HD11 H 1 1.029 0.013 . 1 . . . . . . . . 5599 1 228 . 1 1 25 25 LEU HD12 H 1 1.029 0.013 . 1 . . . . . . . . 5599 1 229 . 1 1 25 25 LEU HD13 H 1 1.029 0.013 . 1 . . . . . . . . 5599 1 230 . 1 1 25 25 LEU HG H 1 1.572 0.0 . 1 . . . . . . . . 5599 1 231 . 1 1 26 26 SER H H 1 9.325 0.0050 . 1 . . . . . . . . 5599 1 232 . 1 1 26 26 SER N N 15 117.16 0.018 . 1 . . . . . . . . 5599 1 233 . 1 1 26 26 SER CA C 13 63.21 0.0040 . 1 . . . . . . . . 5599 1 234 . 1 1 26 26 SER C C 13 178.197 0.0 . 1 . . . . . . . . 5599 1 235 . 1 1 27 27 HIS H H 1 8.031 0.0050 . 1 . . . . . . . . 5599 1 236 . 1 1 27 27 HIS N N 15 126.443 0.02 . 1 . . . . . . . . 5599 1 237 . 1 1 27 27 HIS CA C 13 60.383 0.069 . 1 . . . . . . . . 5599 1 238 . 1 1 27 27 HIS HA H 1 4.389 0.016 . 1 . . . . . . . . 5599 1 239 . 1 1 27 27 HIS C C 13 177.279 0.0 . 1 . . . . . . . . 5599 1 240 . 1 1 27 27 HIS CB C 13 30.312 0.046 . 1 . . . . . . . . 5599 1 241 . 1 1 27 27 HIS HB2 H 1 3.664 0.02 . 1 . . . . . . . . 5599 1 242 . 1 1 27 27 HIS HB3 H 1 3.423 0.0060 . 1 . . . . . . . . 5599 1 243 . 1 1 28 28 TYR H H 1 7.898 0.0060 . 1 . . . . . . . . 5599 1 244 . 1 1 28 28 TYR N N 15 122.007 0.012 . 1 . . . . . . . . 5599 1 245 . 1 1 28 28 TYR CA C 13 60.821 0.112 . 1 . . . . . . . . 5599 1 246 . 1 1 28 28 TYR HA H 1 4.462 0.014 . 1 . . . . . . . . 5599 1 247 . 1 1 28 28 TYR C C 13 177.955 0.0 . 1 . . . . . . . . 5599 1 248 . 1 1 28 28 TYR CB C 13 39.143 0.043 . 1 . . . . . . . . 5599 1 249 . 1 1 28 28 TYR HB2 H 1 3.453 0.0030 . 1 . . . . . . . . 5599 1 250 . 1 1 28 28 TYR HB3 H 1 3.367 0.017 . 1 . . . . . . . . 5599 1 251 . 1 1 29 29 ILE H H 1 8.846 0.0050 . 1 . . . . . . . . 5599 1 252 . 1 1 29 29 ILE N N 15 119.921 0.048 . 1 . . . . . . . . 5599 1 253 . 1 1 29 29 ILE CA C 13 66.773 0.052 . 1 . . . . . . . . 5599 1 254 . 1 1 29 29 ILE HA H 1 3.366 0.0090 . 1 . . . . . . . . 5599 1 255 . 1 1 29 29 ILE C C 13 178.391 0.0 . 1 . . . . . . . . 5599 1 256 . 1 1 29 29 ILE CB C 13 39.029 0.08 . 1 . . . . . . . . 5599 1 257 . 1 1 29 29 ILE HB H 1 1.809 0.0080 . 1 . . . . . . . . 5599 1 258 . 1 1 29 29 ILE CG2 C 13 17.59 0.01 . 1 . . . . . . . . 5599 1 259 . 1 1 29 29 ILE HG13 H 1 0.796 0.0040 . 1 . . . . . . . . 5599 1 260 . 1 1 30 30 HIS H H 1 8.199 0.014 . 1 . . . . . . . . 5599 1 261 . 1 1 30 30 HIS N N 15 121.412 0.019 . 1 . . . . . . . . 5599 1 262 . 1 1 30 30 HIS CA C 13 59.437 0.111 . 1 . . . . . . . . 5599 1 263 . 1 1 30 30 HIS HA H 1 4.525 0.0040 . 1 . . . . . . . . 5599 1 264 . 1 1 30 30 HIS C C 13 177.83 0.0 . 1 . . . . . . . . 5599 1 265 . 1 1 30 30 HIS CB C 13 29.082 0.077 . 1 . . . . . . . . 5599 1 266 . 1 1 30 30 HIS HB2 H 1 3.0 0.025 . 1 . . . . . . . . 5599 1 267 . 1 1 30 30 HIS HB3 H 1 3.257 0.013 . 1 . . . . . . . . 5599 1 268 . 1 1 31 31 ASN H H 1 8.123 0.0040 . 1 . . . . . . . . 5599 1 269 . 1 1 31 31 ASN N N 15 121.928 0.026 . 1 . . . . . . . . 5599 1 270 . 1 1 31 31 ASN CA C 13 57.536 0.032 . 1 . . . . . . . . 5599 1 271 . 1 1 31 31 ASN HA H 1 4.13 0.0070 . 1 . . . . . . . . 5599 1 272 . 1 1 31 31 ASN C C 13 177.558 0.0 . 1 . . . . . . . . 5599 1 273 . 1 1 31 31 ASN CB C 13 38.471 0.098 . 1 . . . . . . . . 5599 1 274 . 1 1 31 31 ASN HB2 H 1 2.764 0.0070 . 1 . . . . . . . . 5599 1 275 . 1 1 32 32 LEU H H 1 8.488 0.01 . 1 . . . . . . . . 5599 1 276 . 1 1 32 32 LEU N N 15 121.422 0.038 . 1 . . . . . . . . 5599 1 277 . 1 1 32 32 LEU CA C 13 58.688 0.12 . 1 . . . . . . . . 5599 1 278 . 1 1 32 32 LEU HA H 1 3.961 0.012 . 1 . . . . . . . . 5599 1 279 . 1 1 32 32 LEU C C 13 179.547 0.0 . 1 . . . . . . . . 5599 1 280 . 1 1 32 32 LEU CB C 13 43.779 0.107 . 1 . . . . . . . . 5599 1 281 . 1 1 32 32 LEU HB2 H 1 1.695 0.0040 . 1 . . . . . . . . 5599 1 282 . 1 1 32 32 LEU HB3 H 1 1.152 0.0050 . 1 . . . . . . . . 5599 1 283 . 1 1 32 32 LEU CG C 13 27.4 0.0 . 1 . . . . . . . . 5599 1 284 . 1 1 32 32 LEU CD1 C 13 23.933 0.024 . 1 . . . . . . . . 5599 1 285 . 1 1 32 32 LEU HD11 H 1 0.45 0.0020 . 1 . . . . . . . . 5599 1 286 . 1 1 32 32 LEU HD12 H 1 0.45 0.0020 . 1 . . . . . . . . 5599 1 287 . 1 1 32 32 LEU HD13 H 1 0.45 0.0020 . 1 . . . . . . . . 5599 1 288 . 1 1 32 32 LEU CD2 C 13 25.991 0.103 . 1 . . . . . . . . 5599 1 289 . 1 1 32 32 LEU HD21 H 1 0.787 0.0020 . 1 . . . . . . . . 5599 1 290 . 1 1 32 32 LEU HD22 H 1 0.787 0.0020 . 1 . . . . . . . . 5599 1 291 . 1 1 32 32 LEU HD23 H 1 0.787 0.0020 . 1 . . . . . . . . 5599 1 292 . 1 1 32 32 LEU HG H 1 1.369 0.0070 . 1 . . . . . . . . 5599 1 293 . 1 1 33 33 SER H H 1 8.552 0.0030 . 1 . . . . . . . . 5599 1 294 . 1 1 33 33 SER N N 15 117.083 0.019 . 1 . . . . . . . . 5599 1 295 . 1 1 33 33 SER CA C 13 63.128 0.053 . 1 . . . . . . . . 5599 1 296 . 1 1 33 33 SER C C 13 177.657 0.0 . 1 . . . . . . . . 5599 1 297 . 1 1 34 34 SER H H 1 8.058 0.0030 . 1 . . . . . . . . 5599 1 298 . 1 1 34 34 SER N N 15 121.92 0.066 . 1 . . . . . . . . 5599 1 299 . 1 1 34 34 SER CA C 13 62.915 0.068 . 1 . . . . . . . . 5599 1 300 . 1 1 34 34 SER C C 13 176.844 0.0 . 1 . . . . . . . . 5599 1 301 . 1 1 35 35 GLU H H 1 8.278 0.0050 . 1 . . . . . . . . 5599 1 302 . 1 1 35 35 GLU N N 15 124.095 0.032 . 1 . . . . . . . . 5599 1 303 . 1 1 35 35 GLU CA C 13 59.911 0.112 . 1 . . . . . . . . 5599 1 304 . 1 1 35 35 GLU HA H 1 4.176 0.0070 . 1 . . . . . . . . 5599 1 305 . 1 1 35 35 GLU C C 13 179.098 0.0 . 1 . . . . . . . . 5599 1 306 . 1 1 35 35 GLU CB C 13 30.367 0.122 . 1 . . . . . . . . 5599 1 307 . 1 1 35 35 GLU HB2 H 1 2.266 0.0090 . 1 . . . . . . . . 5599 1 308 . 1 1 35 35 GLU CG C 13 36.853 0.112 . 1 . . . . . . . . 5599 1 309 . 1 1 35 35 GLU HG2 H 1 2.517 0.0050 . 1 . . . . . . . . 5599 1 310 . 1 1 36 36 MET H H 1 8.826 0.0040 . 1 . . . . . . . . 5599 1 311 . 1 1 36 36 MET N N 15 120.392 0.043 . 1 . . . . . . . . 5599 1 312 . 1 1 36 36 MET CA C 13 60.712 0.097 . 1 . . . . . . . . 5599 1 313 . 1 1 36 36 MET HA H 1 3.965 0.0 . 1 . . . . . . . . 5599 1 314 . 1 1 36 36 MET C C 13 177.317 0.0 . 1 . . . . . . . . 5599 1 315 . 1 1 36 36 MET CB C 13 34.143 0.0080 . 1 . . . . . . . . 5599 1 316 . 1 1 36 36 MET HB2 H 1 2.536 0.0 . 1 . . . . . . . . 5599 1 317 . 1 1 37 37 PHE H H 1 7.955 0.0040 . 1 . . . . . . . . 5599 1 318 . 1 1 37 37 PHE N N 15 118.707 0.047 . 1 . . . . . . . . 5599 1 319 . 1 1 37 37 PHE CA C 13 62.871 0.042 . 1 . . . . . . . . 5599 1 320 . 1 1 37 37 PHE HA H 1 4.145 0.0060 . 1 . . . . . . . . 5599 1 321 . 1 1 37 37 PHE C C 13 176.432 0.0 . 1 . . . . . . . . 5599 1 322 . 1 1 37 37 PHE CB C 13 39.543 0.037 . 1 . . . . . . . . 5599 1 323 . 1 1 37 37 PHE HB2 H 1 3.174 0.0010 . 1 . . . . . . . . 5599 1 324 . 1 1 38 38 SER H H 1 8.167 0.0030 . 1 . . . . . . . . 5599 1 325 . 1 1 38 38 SER N N 15 115.126 0.024 . 1 . . . . . . . . 5599 1 326 . 1 1 38 38 SER CA C 13 62.686 0.047 . 1 . . . . . . . . 5599 1 327 . 1 1 38 38 SER C C 13 177.147 0.0 . 1 . . . . . . . . 5599 1 328 . 1 1 38 38 SER CB C 13 63.344 0.0 . 1 . . . . . . . . 5599 1 329 . 1 1 39 39 GLU H H 1 8.368 0.0030 . 1 . . . . . . . . 5599 1 330 . 1 1 39 39 GLU N N 15 121.772 0.018 . 1 . . . . . . . . 5599 1 331 . 1 1 39 39 GLU CA C 13 59.64 0.086 . 1 . . . . . . . . 5599 1 332 . 1 1 39 39 GLU HA H 1 4.458 0.01 . 1 . . . . . . . . 5599 1 333 . 1 1 39 39 GLU C C 13 178.789 0.0 . 1 . . . . . . . . 5599 1 334 . 1 1 39 39 GLU CB C 13 30.068 0.054 . 1 . . . . . . . . 5599 1 335 . 1 1 39 39 GLU HB2 H 1 2.405 0.012 . 1 . . . . . . . . 5599 1 336 . 1 1 39 39 GLU CG C 13 36.5 0.0 . 1 . . . . . . . . 5599 1 337 . 1 1 39 39 GLU HG2 H 1 2.25 0.0 . 1 . . . . . . . . 5599 1 338 . 1 1 40 40 PHE H H 1 8.349 0.0030 . 1 . . . . . . . . 5599 1 339 . 1 1 40 40 PHE N N 15 122.015 0.013 . 1 . . . . . . . . 5599 1 340 . 1 1 40 40 PHE CA C 13 62.929 0.091 . 1 . . . . . . . . 5599 1 341 . 1 1 40 40 PHE HA H 1 4.08 0.01 . 1 . . . . . . . . 5599 1 342 . 1 1 40 40 PHE C C 13 176.888 0.0 . 1 . . . . . . . . 5599 1 343 . 1 1 40 40 PHE CB C 13 41.103 0.208 . 1 . . . . . . . . 5599 1 344 . 1 1 40 40 PHE HB2 H 1 3.282 0.0030 . 1 . . . . . . . . 5599 1 345 . 1 1 40 40 PHE HB3 H 1 3.054 0.0010 . 1 . . . . . . . . 5599 1 346 . 1 1 41 41 ASP H H 1 8.651 0.0080 . 1 . . . . . . . . 5599 1 347 . 1 1 41 41 ASP N N 15 120.625 0.104 . 1 . . . . . . . . 5599 1 348 . 1 1 41 41 ASP CA C 13 56.533 0.058 . 1 . . . . . . . . 5599 1 349 . 1 1 41 41 ASP HA H 1 4.984 0.0080 . 1 . . . . . . . . 5599 1 350 . 1 1 41 41 ASP C C 13 178.853 0.0 . 1 . . . . . . . . 5599 1 351 . 1 1 41 41 ASP CB C 13 42.607 0.245 . 1 . . . . . . . . 5599 1 352 . 1 1 41 41 ASP HB2 H 1 2.632 0.011 . 1 . . . . . . . . 5599 1 353 . 1 1 41 41 ASP HB3 H 1 2.349 0.017 . 1 . . . . . . . . 5599 1 354 . 1 1 42 42 LYS H H 1 8.046 0.0050 . 1 . . . . . . . . 5599 1 355 . 1 1 42 42 LYS N N 15 117.947 0.044 . 1 . . . . . . . . 5599 1 356 . 1 1 42 42 LYS CA C 13 59.826 0.162 . 1 . . . . . . . . 5599 1 357 . 1 1 42 42 LYS HA H 1 3.89 0.0060 . 1 . . . . . . . . 5599 1 358 . 1 1 42 42 LYS C C 13 178.106 0.0 . 1 . . . . . . . . 5599 1 359 . 1 1 42 42 LYS CB C 13 32.984 0.094 . 1 . . . . . . . . 5599 1 360 . 1 1 42 42 LYS HB2 H 1 1.897 0.02 . 1 . . . . . . . . 5599 1 361 . 1 1 42 42 LYS CG C 13 25.477 0.041 . 1 . . . . . . . . 5599 1 362 . 1 1 42 42 LYS HG2 H 1 1.427 0.0070 . 1 . . . . . . . . 5599 1 363 . 1 1 42 42 LYS HG3 H 1 1.53 0.0020 . 1 . . . . . . . . 5599 1 364 . 1 1 42 42 LYS CD C 13 29.899 0.0060 . 1 . . . . . . . . 5599 1 365 . 1 1 42 42 LYS HD2 H 1 1.647 0.0020 . 1 . . . . . . . . 5599 1 366 . 1 1 42 42 LYS CE C 13 42.51 0.029 . 1 . . . . . . . . 5599 1 367 . 1 1 42 42 LYS HE2 H 1 2.924 0.0070 . 1 . . . . . . . . 5599 1 368 . 1 1 43 43 ARG H H 1 7.285 0.0040 . 1 . . . . . . . . 5599 1 369 . 1 1 43 43 ARG N N 15 116.819 0.013 . 1 . . . . . . . . 5599 1 370 . 1 1 43 43 ARG CA C 13 57.957 0.059 . 1 . . . . . . . . 5599 1 371 . 1 1 43 43 ARG HA H 1 4.091 0.0050 . 1 . . . . . . . . 5599 1 372 . 1 1 43 43 ARG C C 13 177.482 0.0 . 1 . . . . . . . . 5599 1 373 . 1 1 43 43 ARG CB C 13 31.355 0.09 . 1 . . . . . . . . 5599 1 374 . 1 1 43 43 ARG HB2 H 1 1.468 0.0050 . 1 . . . . . . . . 5599 1 375 . 1 1 43 43 ARG HB3 H 1 1.18 0.0070 . 1 . . . . . . . . 5599 1 376 . 1 1 43 43 ARG CG C 13 27.982 0.031 . 1 . . . . . . . . 5599 1 377 . 1 1 43 43 ARG HG2 H 1 0.931 0.01 . 1 . . . . . . . . 5599 1 378 . 1 1 43 43 ARG CD C 13 43.09 0.017 . 1 . . . . . . . . 5599 1 379 . 1 1 43 43 ARG HD2 H 1 2.972 0.0030 . 1 . . . . . . . . 5599 1 380 . 1 1 44 44 TYR H H 1 8.07 0.0090 . 1 . . . . . . . . 5599 1 381 . 1 1 44 44 TYR N N 15 115.218 0.037 . 1 . . . . . . . . 5599 1 382 . 1 1 44 44 TYR CA C 13 60.441 0.047 . 1 . . . . . . . . 5599 1 383 . 1 1 44 44 TYR HA H 1 4.741 0.0 . 1 . . . . . . . . 5599 1 384 . 1 1 44 44 TYR C C 13 176.584 0.0 . 1 . . . . . . . . 5599 1 385 . 1 1 44 44 TYR CB C 13 41.257 0.137 . 1 . . . . . . . . 5599 1 386 . 1 1 44 44 TYR HB2 H 1 2.907 0.0 . 1 . . . . . . . . 5599 1 387 . 1 1 45 45 THR H H 1 7.65 0.0040 . 1 . . . . . . . . 5599 1 388 . 1 1 45 45 THR N N 15 109.159 0.018 . 1 . . . . . . . . 5599 1 389 . 1 1 45 45 THR CA C 13 63.393 0.126 . 1 . . . . . . . . 5599 1 390 . 1 1 45 45 THR HA H 1 4.393 0.0060 . 1 . . . . . . . . 5599 1 391 . 1 1 45 45 THR C C 13 175.731 0.0 . 1 . . . . . . . . 5599 1 392 . 1 1 45 45 THR CB C 13 69.914 0.071 . 1 . . . . . . . . 5599 1 393 . 1 1 45 45 THR HB H 1 4.344 0.01 . 1 . . . . . . . . 5599 1 394 . 1 1 45 45 THR CG2 C 13 24.06 0.0 . 1 . . . . . . . . 5599 1 395 . 1 1 45 45 THR HG21 H 1 1.231 0.0010 . 1 . . . . . . . . 5599 1 396 . 1 1 45 45 THR HG22 H 1 1.231 0.0010 . 1 . . . . . . . . 5599 1 397 . 1 1 45 45 THR HG23 H 1 1.231 0.0010 . 1 . . . . . . . . 5599 1 398 . 1 1 46 46 HIS H H 1 8.575 0.0040 . 1 . . . . . . . . 5599 1 399 . 1 1 46 46 HIS N N 15 124.846 0.09 . 1 . . . . . . . . 5599 1 400 . 1 1 46 46 HIS CA C 13 58.63 0.043 . 1 . . . . . . . . 5599 1 401 . 1 1 46 46 HIS HA H 1 4.37 0.0070 . 1 . . . . . . . . 5599 1 402 . 1 1 46 46 HIS C C 13 176.712 0.0 . 1 . . . . . . . . 5599 1 403 . 1 1 46 46 HIS CB C 13 29.639 0.072 . 1 . . . . . . . . 5599 1 404 . 1 1 46 46 HIS HB2 H 1 3.125 0.0020 . 1 . . . . . . . . 5599 1 405 . 1 1 48 48 ARG C C 13 177.527 0.0 . 1 . . . . . . . . 5599 1 406 . 1 1 49 49 GLY H H 1 8.067 0.221 . 1 . . . . . . . . 5599 1 407 . 1 1 49 49 GLY N N 15 114.491 2.958 . 1 . . . . . . . . 5599 1 408 . 1 1 49 49 GLY CA C 13 46.681 0.1 . 1 . . . . . . . . 5599 1 409 . 1 1 49 49 GLY HA2 H 1 3.818 0.0050 . 1 . . . . . . . . 5599 1 410 . 1 1 49 49 GLY C C 13 174.954 0.0 . 1 . . . . . . . . 5599 1 411 . 1 1 50 50 PHE H H 1 7.675 0.01 . 1 . . . . . . . . 5599 1 412 . 1 1 50 50 PHE N N 15 118.795 0.043 . 1 . . . . . . . . 5599 1 413 . 1 1 50 50 PHE CA C 13 58.127 0.107 . 1 . . . . . . . . 5599 1 414 . 1 1 50 50 PHE HA H 1 4.604 0.0030 . 1 . . . . . . . . 5599 1 415 . 1 1 50 50 PHE C C 13 176.331 0.0 . 1 . . . . . . . . 5599 1 416 . 1 1 50 50 PHE CB C 13 38.64 0.072 . 1 . . . . . . . . 5599 1 417 . 1 1 50 50 PHE HB2 H 1 2.953 0.0010 . 1 . . . . . . . . 5599 1 418 . 1 1 50 50 PHE HB3 H 1 3.103 0.0040 . 1 . . . . . . . . 5599 1 419 . 1 1 51 51 ILE H H 1 7.582 0.0030 . 1 . . . . . . . . 5599 1 420 . 1 1 51 51 ILE N N 15 122.094 0.03 . 1 . . . . . . . . 5599 1 421 . 1 1 51 51 ILE CA C 13 61.926 0.068 . 1 . . . . . . . . 5599 1 422 . 1 1 51 51 ILE HA H 1 4.124 0.01 . 1 . . . . . . . . 5599 1 423 . 1 1 51 51 ILE C C 13 176.471 0.0 . 1 . . . . . . . . 5599 1 424 . 1 1 51 51 ILE CB C 13 38.625 0.033 . 1 . . . . . . . . 5599 1 425 . 1 1 51 51 ILE HB H 1 1.818 0.011 . 1 . . . . . . . . 5599 1 426 . 1 1 51 51 ILE CG2 C 13 18.117 0.034 . 1 . . . . . . . . 5599 1 427 . 1 1 51 51 ILE HG21 H 1 0.795 0.0030 . 1 . . . . . . . . 5599 1 428 . 1 1 51 51 ILE HG22 H 1 0.795 0.0030 . 1 . . . . . . . . 5599 1 429 . 1 1 51 51 ILE HG23 H 1 0.795 0.0030 . 1 . . . . . . . . 5599 1 430 . 1 1 51 51 ILE CG1 C 13 27.9 0.0 . 1 . . . . . . . . 5599 1 431 . 1 1 51 51 ILE HG12 H 1 1.071 0.0050 . 1 . . . . . . . . 5599 1 432 . 1 1 51 51 ILE HG13 H 1 1.297 0.0060 . 1 . . . . . . . . 5599 1 433 . 1 1 51 51 ILE CD1 C 13 13.5 0.0 . 1 . . . . . . . . 5599 1 434 . 1 1 51 51 ILE HD11 H 1 0.752 0.0070 . 1 . . . . . . . . 5599 1 435 . 1 1 51 51 ILE HD12 H 1 0.752 0.0070 . 1 . . . . . . . . 5599 1 436 . 1 1 51 51 ILE HD13 H 1 0.752 0.0070 . 1 . . . . . . . . 5599 1 437 . 1 1 52 52 THR H H 1 7.791 0.0030 . 1 . . . . . . . . 5599 1 438 . 1 1 52 52 THR N N 15 116.84 0.031 . 1 . . . . . . . . 5599 1 439 . 1 1 52 52 THR CA C 13 63.195 0.077 . 1 . . . . . . . . 5599 1 440 . 1 1 52 52 THR HA H 1 4.235 0.0050 . 1 . . . . . . . . 5599 1 441 . 1 1 52 52 THR C C 13 174.987 0.0 . 1 . . . . . . . . 5599 1 442 . 1 1 52 52 THR CB C 13 69.647 0.054 . 1 . . . . . . . . 5599 1 443 . 1 1 52 52 THR HB H 1 4.216 0.0 . 1 . . . . . . . . 5599 1 444 . 1 1 52 52 THR CG2 C 13 21.9 0.0 . 1 . . . . . . . . 5599 1 445 . 1 1 52 52 THR HG21 H 1 1.205 0.0040 . 1 . . . . . . . . 5599 1 446 . 1 1 52 52 THR HG22 H 1 1.205 0.0040 . 1 . . . . . . . . 5599 1 447 . 1 1 52 52 THR HG23 H 1 1.205 0.0040 . 1 . . . . . . . . 5599 1 448 . 1 1 53 53 LYS H H 1 7.853 0.0090 . 1 . . . . . . . . 5599 1 449 . 1 1 53 53 LYS N N 15 122.686 0.03 . 1 . . . . . . . . 5599 1 450 . 1 1 53 53 LYS CA C 13 56.834 0.081 . 1 . . . . . . . . 5599 1 451 . 1 1 53 53 LYS HA H 1 4.381 0.015 . 1 . . . . . . . . 5599 1 452 . 1 1 53 53 LYS C C 13 176.459 0.0 . 1 . . . . . . . . 5599 1 453 . 1 1 53 53 LYS CB C 13 33.419 0.058 . 1 . . . . . . . . 5599 1 454 . 1 1 53 53 LYS HB2 H 1 1.809 0.0080 . 1 . . . . . . . . 5599 1 455 . 1 1 53 53 LYS HB3 H 1 1.922 0.0070 . 1 . . . . . . . . 5599 1 456 . 1 1 53 53 LYS CG C 13 25.427 0.039 . 1 . . . . . . . . 5599 1 457 . 1 1 53 53 LYS HG2 H 1 1.466 0.017 . 1 . . . . . . . . 5599 1 458 . 1 1 53 53 LYS CD C 13 29.695 0.051 . 1 . . . . . . . . 5599 1 459 . 1 1 53 53 LYS HD2 H 1 1.717 0.024 . 1 . . . . . . . . 5599 1 460 . 1 1 53 53 LYS CE C 13 42.701 0.0010 . 1 . . . . . . . . 5599 1 461 . 1 1 53 53 LYS HE2 H 1 3.003 0.0050 . 1 . . . . . . . . 5599 1 462 . 1 1 54 54 ALA H H 1 7.893 0.0090 . 1 . . . . . . . . 5599 1 463 . 1 1 54 54 ALA N N 15 125.176 0.069 . 1 . . . . . . . . 5599 1 464 . 1 1 54 54 ALA CA C 13 53.282 0.101 . 1 . . . . . . . . 5599 1 465 . 1 1 54 54 ALA HA H 1 4.413 0.0050 . 1 . . . . . . . . 5599 1 466 . 1 1 54 54 ALA C C 13 177.585 0.0 . 1 . . . . . . . . 5599 1 467 . 1 1 54 54 ALA CB C 13 19.944 0.072 . 1 . . . . . . . . 5599 1 468 . 1 1 54 54 ALA HB1 H 1 1.442 0.0010 . 1 . . . . . . . . 5599 1 469 . 1 1 54 54 ALA HB2 H 1 1.442 0.0010 . 1 . . . . . . . . 5599 1 470 . 1 1 54 54 ALA HB3 H 1 1.442 0.0010 . 1 . . . . . . . . 5599 1 471 . 1 1 55 55 ILE H H 1 7.896 0.0040 . 1 . . . . . . . . 5599 1 472 . 1 1 55 55 ILE N N 15 119.771 0.042 . 1 . . . . . . . . 5599 1 473 . 1 1 55 55 ILE CA C 13 61.956 0.077 . 1 . . . . . . . . 5599 1 474 . 1 1 55 55 ILE HA H 1 4.215 0.0070 . 1 . . . . . . . . 5599 1 475 . 1 1 55 55 ILE C C 13 176.043 0.0 . 1 . . . . . . . . 5599 1 476 . 1 1 55 55 ILE CB C 13 39.186 0.085 . 1 . . . . . . . . 5599 1 477 . 1 1 55 55 ILE HB H 1 1.885 0.0060 . 1 . . . . . . . . 5599 1 478 . 1 1 55 55 ILE CG2 C 13 18.035 0.144 . 1 . . . . . . . . 5599 1 479 . 1 1 55 55 ILE HG21 H 1 1.231 0.0090 . 1 . . . . . . . . 5599 1 480 . 1 1 55 55 ILE HG22 H 1 1.231 0.0090 . 1 . . . . . . . . 5599 1 481 . 1 1 55 55 ILE HG23 H 1 1.231 0.0090 . 1 . . . . . . . . 5599 1 482 . 1 1 55 55 ILE CG1 C 13 27.726 0.159 . 1 . . . . . . . . 5599 1 483 . 1 1 55 55 ILE HG12 H 1 1.501 0.016 . 1 . . . . . . . . 5599 1 484 . 1 1 55 55 ILE HG13 H 1 0.948 0.0040 . 1 . . . . . . . . 5599 1 485 . 1 1 55 55 ILE CD1 C 13 13.545 0.063 . 1 . . . . . . . . 5599 1 486 . 1 1 55 55 ILE HD11 H 1 0.896 0.0070 . 1 . . . . . . . . 5599 1 487 . 1 1 55 55 ILE HD12 H 1 0.896 0.0070 . 1 . . . . . . . . 5599 1 488 . 1 1 55 55 ILE HD13 H 1 0.896 0.0070 . 1 . . . . . . . . 5599 1 489 . 1 1 56 56 ASN H H 1 8.165 0.0080 . 1 . . . . . . . . 5599 1 490 . 1 1 56 56 ASN N N 15 124.086 0.029 . 1 . . . . . . . . 5599 1 491 . 1 1 56 56 ASN CA C 13 55.072 0.093 . 1 . . . . . . . . 5599 1 492 . 1 1 56 56 ASN HA H 1 4.598 0.0040 . 1 . . . . . . . . 5599 1 493 . 1 1 56 56 ASN C C 13 176.283 0.0 . 1 . . . . . . . . 5599 1 494 . 1 1 56 56 ASN CB C 13 41.885 0.041 . 1 . . . . . . . . 5599 1 495 . 1 1 56 56 ASN HB2 H 1 2.672 0.015 . 1 . . . . . . . . 5599 1 496 . 1 1 57 57 SER H H 1 8.141 0.013 . 1 . . . . . . . . 5599 1 497 . 1 1 57 57 SER N N 15 116.671 0.082 . 1 . . . . . . . . 5599 1 498 . 1 1 57 57 SER CA C 13 58.718 0.03 . 1 . . . . . . . . 5599 1 499 . 1 1 57 57 SER C C 13 174.794 0.0 . 1 . . . . . . . . 5599 1 500 . 1 1 57 57 SER CB C 13 64.327 0.0 . 1 . . . . . . . . 5599 1 501 . 1 1 59 59 HIS CA C 13 60.482 0.088 . 1 . . . . . . . . 5599 1 502 . 1 1 59 59 HIS C C 13 176.42 0.0 . 1 . . . . . . . . 5599 1 503 . 1 1 60 60 THR H H 1 7.41 0.0030 . 1 . . . . . . . . 5599 1 504 . 1 1 60 60 THR N N 15 109.131 0.047 . 1 . . . . . . . . 5599 1 505 . 1 1 60 60 THR CA C 13 62.583 0.034 . 1 . . . . . . . . 5599 1 506 . 1 1 60 60 THR C C 13 176.933 0.0 . 1 . . . . . . . . 5599 1 507 . 1 1 60 60 THR CB C 13 68.721 0.147 . 1 . . . . . . . . 5599 1 508 . 1 1 61 61 SER H H 1 7.846 0.0030 . 1 . . . . . . . . 5599 1 509 . 1 1 61 61 SER N N 15 119.049 0.052 . 1 . . . . . . . . 5599 1 510 . 1 1 61 61 SER CA C 13 62.059 0.09 . 1 . . . . . . . . 5599 1 511 . 1 1 61 61 SER C C 13 173.661 0.0 . 1 . . . . . . . . 5599 1 512 . 1 1 61 61 SER CB C 13 63.626 0.0 . 1 . . . . . . . . 5599 1 513 . 1 1 62 62 SER CA C 13 59.7 0.1 . 1 . . . . . . . . 5599 1 514 . 1 1 62 62 SER HA H 1 4.382 0.0080 . 1 . . . . . . . . 5599 1 515 . 1 1 62 62 SER C C 13 175.031 0.0 . 1 . . . . . . . . 5599 1 516 . 1 1 62 62 SER CB C 13 63.459 0.187 . 1 . . . . . . . . 5599 1 517 . 1 1 62 62 SER HB2 H 1 4.028 0.0060 . 1 . . . . . . . . 5599 1 518 . 1 1 63 63 LEU H H 1 7.461 0.0030 . 1 . . . . . . . . 5599 1 519 . 1 1 63 63 LEU N N 15 123.912 0.023 . 1 . . . . . . . . 5599 1 520 . 1 1 63 63 LEU CA C 13 54.987 0.146 . 1 . . . . . . . . 5599 1 521 . 1 1 63 63 LEU HA H 1 4.388 0.017 . 1 . . . . . . . . 5599 1 522 . 1 1 63 63 LEU C C 13 176.302 0.0 . 1 . . . . . . . . 5599 1 523 . 1 1 63 63 LEU CB C 13 43.05 0.236 . 1 . . . . . . . . 5599 1 524 . 1 1 63 63 LEU HB2 H 1 1.902 0.011 . 1 . . . . . . . . 5599 1 525 . 1 1 63 63 LEU CG C 13 26.7 0.0 . 1 . . . . . . . . 5599 1 526 . 1 1 63 63 LEU CD1 C 13 23.767 0.0 . 1 . . . . . . . . 5599 1 527 . 1 1 63 63 LEU HD11 H 1 0.939 0.0070 . 1 . . . . . . . . 5599 1 528 . 1 1 63 63 LEU HD12 H 1 0.939 0.0070 . 1 . . . . . . . . 5599 1 529 . 1 1 63 63 LEU HD13 H 1 0.939 0.0070 . 1 . . . . . . . . 5599 1 530 . 1 1 63 63 LEU HG H 1 1.412 0.014 . 1 . . . . . . . . 5599 1 531 . 1 1 64 64 ALA H H 1 8.354 0.0060 . 1 . . . . . . . . 5599 1 532 . 1 1 64 64 ALA N N 15 127.783 0.048 . 1 . . . . . . . . 5599 1 533 . 1 1 64 64 ALA CA C 13 52.523 0.086 . 1 . . . . . . . . 5599 1 534 . 1 1 64 64 ALA HA H 1 4.485 0.0090 . 1 . . . . . . . . 5599 1 535 . 1 1 64 64 ALA C C 13 176.9 0.032 . 1 . . . . . . . . 5599 1 536 . 1 1 64 64 ALA CB C 13 18.181 0.079 . 1 . . . . . . . . 5599 1 537 . 1 1 64 64 ALA HB1 H 1 1.368 0.0 . 1 . . . . . . . . 5599 1 538 . 1 1 64 64 ALA HB2 H 1 1.368 0.0 . 1 . . . . . . . . 5599 1 539 . 1 1 64 64 ALA HB3 H 1 1.368 0.0 . 1 . . . . . . . . 5599 1 540 . 1 1 65 65 THR H H 1 7.989 0.0030 . 1 . . . . . . . . 5599 1 541 . 1 1 65 65 THR N N 15 113.97 0.026 . 1 . . . . . . . . 5599 1 542 . 1 1 65 65 THR CA C 13 58.611 0.044 . 1 . . . . . . . . 5599 1 543 . 1 1 65 65 THR HA H 1 4.581 0.0090 . 1 . . . . . . . . 5599 1 544 . 1 1 65 65 THR C C 13 173.206 0.0 . 1 . . . . . . . . 5599 1 545 . 1 1 65 65 THR CB C 13 69.168 0.105 . 1 . . . . . . . . 5599 1 546 . 1 1 65 65 THR HB H 1 4.656 0.0080 . 1 . . . . . . . . 5599 1 547 . 1 1 65 65 THR CG2 C 13 23.307 0.0 . 1 . . . . . . . . 5599 1 548 . 1 1 65 65 THR HG21 H 1 1.323 0.0010 . 1 . . . . . . . . 5599 1 549 . 1 1 65 65 THR HG22 H 1 1.323 0.0010 . 1 . . . . . . . . 5599 1 550 . 1 1 65 65 THR HG23 H 1 1.323 0.0010 . 1 . . . . . . . . 5599 1 551 . 1 1 66 66 PRO CA C 13 63.226 0.09 . 1 . . . . . . . . 5599 1 552 . 1 1 66 66 PRO HA H 1 4.528 0.0070 . 1 . . . . . . . . 5599 1 553 . 1 1 66 66 PRO C C 13 178.17 0.0 . 1 . . . . . . . . 5599 1 554 . 1 1 66 66 PRO CB C 13 31.748 0.158 . 1 . . . . . . . . 5599 1 555 . 1 1 66 66 PRO HB2 H 1 1.877 0.0060 . 1 . . . . . . . . 5599 1 556 . 1 1 66 66 PRO CG C 13 28.334 0.168 . 1 . . . . . . . . 5599 1 557 . 1 1 66 66 PRO HG2 H 1 1.865 0.0050 . 1 . . . . . . . . 5599 1 558 . 1 1 66 66 PRO HG3 H 1 1.631 0.0090 . 1 . . . . . . . . 5599 1 559 . 1 1 66 66 PRO CD C 13 50.614 0.176 . 1 . . . . . . . . 5599 1 560 . 1 1 66 66 PRO HD2 H 1 3.387 0.016 . 1 . . . . . . . . 5599 1 561 . 1 1 66 66 PRO HD3 H 1 3.518 0.012 . 1 . . . . . . . . 5599 1 562 . 1 1 67 67 GLU H H 1 8.744 0.0030 . 1 . . . . . . . . 5599 1 563 . 1 1 67 67 GLU N N 15 124.791 0.031 . 1 . . . . . . . . 5599 1 564 . 1 1 67 67 GLU CA C 13 57.69 0.087 . 1 . . . . . . . . 5599 1 565 . 1 1 67 67 GLU HA H 1 4.377 0.011 . 1 . . . . . . . . 5599 1 566 . 1 1 67 67 GLU C C 13 175.747 0.0 . 1 . . . . . . . . 5599 1 567 . 1 1 67 67 GLU CB C 13 31.27 0.112 . 1 . . . . . . . . 5599 1 568 . 1 1 67 67 GLU HB2 H 1 2.221 0.014 . 1 . . . . . . . . 5599 1 569 . 1 1 67 67 GLU HB3 H 1 1.932 0.012 . 1 . . . . . . . . 5599 1 570 . 1 1 67 67 GLU CG C 13 36.595 0.01 . 1 . . . . . . . . 5599 1 571 . 1 1 67 67 GLU HG2 H 1 2.42 0.013 . 1 . . . . . . . . 5599 1 572 . 1 1 68 68 ASP H H 1 7.503 0.0010 . 1 . . . . . . . . 5599 1 573 . 1 1 68 68 ASP N N 15 117.092 0.02 . 1 . . . . . . . . 5599 1 574 . 1 1 68 68 ASP CA C 13 53.484 0.181 . 1 . . . . . . . . 5599 1 575 . 1 1 68 68 ASP HA H 1 4.739 0.0080 . 1 . . . . . . . . 5599 1 576 . 1 1 68 68 ASP C C 13 176.391 0.0 . 1 . . . . . . . . 5599 1 577 . 1 1 68 68 ASP CB C 13 43.167 0.119 . 1 . . . . . . . . 5599 1 578 . 1 1 68 68 ASP HB2 H 1 3.046 0.011 . 1 . . . . . . . . 5599 1 579 . 1 1 68 68 ASP HB3 H 1 2.862 0.014 . 1 . . . . . . . . 5599 1 580 . 1 1 69 69 LYS H H 1 8.461 0.0090 . 1 . . . . . . . . 5599 1 581 . 1 1 69 69 LYS N N 15 121.637 0.049 . 1 . . . . . . . . 5599 1 582 . 1 1 69 69 LYS CA C 13 59.825 0.087 . 1 . . . . . . . . 5599 1 583 . 1 1 69 69 LYS HA H 1 4.078 0.013 . 1 . . . . . . . . 5599 1 584 . 1 1 69 69 LYS C C 13 177.934 0.0 . 1 . . . . . . . . 5599 1 585 . 1 1 69 69 LYS CB C 13 33.317 0.271 . 1 . . . . . . . . 5599 1 586 . 1 1 69 69 LYS HB2 H 1 1.929 0.019 . 1 . . . . . . . . 5599 1 587 . 1 1 69 69 LYS CG C 13 25.248 0.174 . 1 . . . . . . . . 5599 1 588 . 1 1 69 69 LYS HG2 H 1 1.509 0.013 . 1 . . . . . . . . 5599 1 589 . 1 1 69 69 LYS CD C 13 29.819 0.13 . 1 . . . . . . . . 5599 1 590 . 1 1 69 69 LYS HD2 H 1 1.742 0.011 . 1 . . . . . . . . 5599 1 591 . 1 1 69 69 LYS CE C 13 42.561 0.147 . 1 . . . . . . . . 5599 1 592 . 1 1 69 69 LYS HE2 H 1 3.043 0.0070 . 1 . . . . . . . . 5599 1 593 . 1 1 70 70 GLU H H 1 8.255 0.0030 . 1 . . . . . . . . 5599 1 594 . 1 1 70 70 GLU N N 15 121.764 0.037 . 1 . . . . . . . . 5599 1 595 . 1 1 70 70 GLU CA C 13 60.268 0.038 . 1 . . . . . . . . 5599 1 596 . 1 1 70 70 GLU HA H 1 4.096 0.0090 . 1 . . . . . . . . 5599 1 597 . 1 1 70 70 GLU C C 13 179.306 0.0 . 1 . . . . . . . . 5599 1 598 . 1 1 70 70 GLU CB C 13 29.333 0.172 . 1 . . . . . . . . 5599 1 599 . 1 1 70 70 GLU HB2 H 1 2.148 0.01 . 1 . . . . . . . . 5599 1 600 . 1 1 70 70 GLU CG C 13 37.194 0.169 . 1 . . . . . . . . 5599 1 601 . 1 1 70 70 GLU HG2 H 1 2.318 0.0050 . 1 . . . . . . . . 5599 1 602 . 1 1 71 71 GLN H H 1 8.572 0.0030 . 1 . . . . . . . . 5599 1 603 . 1 1 71 71 GLN N N 15 119.473 0.039 . 1 . . . . . . . . 5599 1 604 . 1 1 71 71 GLN CA C 13 59.091 0.181 . 1 . . . . . . . . 5599 1 605 . 1 1 71 71 GLN HA H 1 4.06 0.01 . 1 . . . . . . . . 5599 1 606 . 1 1 71 71 GLN C C 13 179.381 0.0 . 1 . . . . . . . . 5599 1 607 . 1 1 71 71 GLN CB C 13 29.499 0.063 . 1 . . . . . . . . 5599 1 608 . 1 1 71 71 GLN HB2 H 1 2.057 0.018 . 1 . . . . . . . . 5599 1 609 . 1 1 71 71 GLN CG C 13 34.679 0.088 . 1 . . . . . . . . 5599 1 610 . 1 1 71 71 GLN HG2 H 1 2.8 0.0070 . 1 . . . . . . . . 5599 1 611 . 1 1 71 71 GLN HG3 H 1 2.439 0.012 . 1 . . . . . . . . 5599 1 612 . 1 1 72 72 ALA H H 1 7.885 0.0020 . 1 . . . . . . . . 5599 1 613 . 1 1 72 72 ALA N N 15 122.737 0.033 . 1 . . . . . . . . 5599 1 614 . 1 1 72 72 ALA CA C 13 55.382 0.03 . 1 . . . . . . . . 5599 1 615 . 1 1 72 72 ALA HA H 1 3.79 0.0080 . 1 . . . . . . . . 5599 1 616 . 1 1 72 72 ALA C C 13 178.841 0.0 . 1 . . . . . . . . 5599 1 617 . 1 1 72 72 ALA CB C 13 18.934 0.112 . 1 . . . . . . . . 5599 1 618 . 1 1 72 72 ALA HB1 H 1 1.475 0.0020 . 1 . . . . . . . . 5599 1 619 . 1 1 72 72 ALA HB2 H 1 1.475 0.0020 . 1 . . . . . . . . 5599 1 620 . 1 1 72 72 ALA HB3 H 1 1.475 0.0020 . 1 . . . . . . . . 5599 1 621 . 1 1 73 73 GLN H H 1 8.039 0.0060 . 1 . . . . . . . . 5599 1 622 . 1 1 73 73 GLN N N 15 116.732 0.05 . 1 . . . . . . . . 5599 1 623 . 1 1 73 73 GLN CA C 13 58.529 0.086 . 1 . . . . . . . . 5599 1 624 . 1 1 73 73 GLN HA H 1 4.079 0.013 . 1 . . . . . . . . 5599 1 625 . 1 1 73 73 GLN C C 13 176.965 0.0 . 1 . . . . . . . . 5599 1 626 . 1 1 73 73 GLN CB C 13 29.367 0.09 . 1 . . . . . . . . 5599 1 627 . 1 1 73 73 GLN HB2 H 1 2.136 0.063 . 1 . . . . . . . . 5599 1 628 . 1 1 73 73 GLN CG C 13 34.665 0.035 . 1 . . . . . . . . 5599 1 629 . 1 1 73 73 GLN HG2 H 1 2.539 0.031 . 1 . . . . . . . . 5599 1 630 . 1 1 74 74 GLN H H 1 7.292 0.0020 . 1 . . . . . . . . 5599 1 631 . 1 1 74 74 GLN N N 15 115.682 0.032 . 1 . . . . . . . . 5599 1 632 . 1 1 74 74 GLN CA C 13 56.381 0.064 . 1 . . . . . . . . 5599 1 633 . 1 1 74 74 GLN HA H 1 4.259 0.0040 . 1 . . . . . . . . 5599 1 634 . 1 1 74 74 GLN C C 13 176.31 0.0 . 1 . . . . . . . . 5599 1 635 . 1 1 74 74 GLN CB C 13 29.583 0.254 . 1 . . . . . . . . 5599 1 636 . 1 1 74 74 GLN HB2 H 1 2.183 0.011 . 1 . . . . . . . . 5599 1 637 . 1 1 74 74 GLN HB3 H 1 2.03 0.022 . 1 . . . . . . . . 5599 1 638 . 1 1 74 74 GLN CG C 13 34.307 0.082 . 1 . . . . . . . . 5599 1 639 . 1 1 74 74 GLN HG2 H 1 2.553 0.0030 . 1 . . . . . . . . 5599 1 640 . 1 1 74 74 GLN HG3 H 1 2.496 0.0050 . 1 . . . . . . . . 5599 1 641 . 1 1 75 75 MET H H 1 7.207 0.0010 . 1 . . . . . . . . 5599 1 642 . 1 1 75 75 MET N N 15 121.303 0.021 . 1 . . . . . . . . 5599 1 643 . 1 1 75 75 MET CA C 13 56.555 0.035 . 1 . . . . . . . . 5599 1 644 . 1 1 75 75 MET C C 13 175.9 0.019 . 1 . . . . . . . . 5599 1 645 . 1 1 75 75 MET CB C 13 33.724 0.193 . 1 . . . . . . . . 5599 1 646 . 1 1 76 76 ASN H H 1 8.979 0.0040 . 1 . . . . . . . . 5599 1 647 . 1 1 76 76 ASN N N 15 125.152 0.048 . 1 . . . . . . . . 5599 1 648 . 1 1 76 76 ASN CA C 13 54.04 0.056 . 1 . . . . . . . . 5599 1 649 . 1 1 76 76 ASN HA H 1 4.662 0.015 . 1 . . . . . . . . 5599 1 650 . 1 1 76 76 ASN C C 13 173.213 0.0 . 1 . . . . . . . . 5599 1 651 . 1 1 76 76 ASN CB C 13 39.935 0.0060 . 1 . . . . . . . . 5599 1 652 . 1 1 76 76 ASN HB2 H 1 3.115 0.0080 . 1 . . . . . . . . 5599 1 653 . 1 1 77 77 GLN CA C 13 60.829 0.07 . 1 . . . . . . . . 5599 1 654 . 1 1 77 77 GLN C C 13 176.898 0.0 . 1 . . . . . . . . 5599 1 655 . 1 1 77 77 GLN CB C 13 32.383 0.0 . 1 . . . . . . . . 5599 1 656 . 1 1 77 77 GLN HB2 H 1 1.974 0.0 . 1 . . . . . . . . 5599 1 657 . 1 1 77 77 GLN HB3 H 1 2.076 0.0 . 1 . . . . . . . . 5599 1 658 . 1 1 77 77 GLN HG2 H 1 2.308 0.0 . 1 . . . . . . . . 5599 1 659 . 1 1 77 77 GLN HG3 H 1 2.308 0.0 . 1 . . . . . . . . 5599 1 660 . 1 1 78 78 LYS H H 1 8.146 0.0020 . 1 . . . . . . . . 5599 1 661 . 1 1 78 78 LYS N N 15 121.246 0.046 . 1 . . . . . . . . 5599 1 662 . 1 1 78 78 LYS CA C 13 60.668 0.069 . 1 . . . . . . . . 5599 1 663 . 1 1 78 78 LYS HA H 1 3.794 0.0060 . 1 . . . . . . . . 5599 1 664 . 1 1 78 78 LYS C C 13 178.658 0.0 . 1 . . . . . . . . 5599 1 665 . 1 1 78 78 LYS CB C 13 32.296 0.149 . 1 . . . . . . . . 5599 1 666 . 1 1 78 78 LYS HB2 H 1 1.41 0.0090 . 1 . . . . . . . . 5599 1 667 . 1 1 78 78 LYS HB3 H 1 1.625 0.011 . 1 . . . . . . . . 5599 1 668 . 1 1 78 78 LYS CG C 13 25.301 0.081 . 1 . . . . . . . . 5599 1 669 . 1 1 78 78 LYS HG2 H 1 1.176 0.0030 . 1 . . . . . . . . 5599 1 670 . 1 1 78 78 LYS CD C 13 29.712 0.108 . 1 . . . . . . . . 5599 1 671 . 1 1 78 78 LYS HD2 H 1 1.506 0.0090 . 1 . . . . . . . . 5599 1 672 . 1 1 78 78 LYS CE C 13 42.582 0.037 . 1 . . . . . . . . 5599 1 673 . 1 1 78 78 LYS HE2 H 1 2.901 0.0050 . 1 . . . . . . . . 5599 1 674 . 1 1 79 79 ASP H H 1 7.941 0.0030 . 1 . . . . . . . . 5599 1 675 . 1 1 79 79 ASP N N 15 120.905 0.032 . 1 . . . . . . . . 5599 1 676 . 1 1 79 79 ASP CA C 13 57.422 0.024 . 1 . . . . . . . . 5599 1 677 . 1 1 79 79 ASP C C 13 178.979 0.0 . 1 . . . . . . . . 5599 1 678 . 1 1 79 79 ASP CB C 13 40.614 0.042 . 1 . . . . . . . . 5599 1 679 . 1 1 80 80 PHE H H 1 8.302 0.0070 . 1 . . . . . . . . 5599 1 680 . 1 1 80 80 PHE N N 15 122.903 0.012 . 1 . . . . . . . . 5599 1 681 . 1 1 80 80 PHE CA C 13 60.199 0.037 . 1 . . . . . . . . 5599 1 682 . 1 1 80 80 PHE HA H 1 4.485 0.01 . 1 . . . . . . . . 5599 1 683 . 1 1 80 80 PHE C C 13 178.233 0.0 . 1 . . . . . . . . 5599 1 684 . 1 1 80 80 PHE CB C 13 40.022 0.143 . 1 . . . . . . . . 5599 1 685 . 1 1 80 80 PHE HB2 H 1 3.205 0.0040 . 1 . . . . . . . . 5599 1 686 . 1 1 81 81 LEU H H 1 8.348 0.0050 . 1 . . . . . . . . 5599 1 687 . 1 1 81 81 LEU N N 15 119.514 0.018 . 1 . . . . . . . . 5599 1 688 . 1 1 81 81 LEU CA C 13 59.281 0.103 . 1 . . . . . . . . 5599 1 689 . 1 1 81 81 LEU HA H 1 4.01 0.012 . 1 . . . . . . . . 5599 1 690 . 1 1 81 81 LEU C C 13 178.467 0.0 . 1 . . . . . . . . 5599 1 691 . 1 1 81 81 LEU CB C 13 42.24 0.224 . 1 . . . . . . . . 5599 1 692 . 1 1 81 81 LEU HB2 H 1 2.114 0.017 . 1 . . . . . . . . 5599 1 693 . 1 1 81 81 LEU CD1 C 13 24.465 0.11 . 1 . . . . . . . . 5599 1 694 . 1 1 81 81 LEU HD11 H 1 1.027 0.0080 . 1 . . . . . . . . 5599 1 695 . 1 1 81 81 LEU HD12 H 1 1.027 0.0080 . 1 . . . . . . . . 5599 1 696 . 1 1 81 81 LEU HD13 H 1 1.027 0.0080 . 1 . . . . . . . . 5599 1 697 . 1 1 81 81 LEU HD21 H 1 0.9 0.0010 . 1 . . . . . . . . 5599 1 698 . 1 1 81 81 LEU HD22 H 1 0.9 0.0010 . 1 . . . . . . . . 5599 1 699 . 1 1 81 81 LEU HD23 H 1 0.9 0.0010 . 1 . . . . . . . . 5599 1 700 . 1 1 81 81 LEU HG H 1 1.556 0.0 . 1 . . . . . . . . 5599 1 701 . 1 1 82 82 SER H H 1 8.075 0.0030 . 1 . . . . . . . . 5599 1 702 . 1 1 82 82 SER N N 15 113.965 0.04 . 1 . . . . . . . . 5599 1 703 . 1 1 82 82 SER CA C 13 62.521 0.18 . 1 . . . . . . . . 5599 1 704 . 1 1 82 82 SER C C 13 176.845 0.0 . 1 . . . . . . . . 5599 1 705 . 1 1 83 83 LEU H H 1 7.89 0.0030 . 1 . . . . . . . . 5599 1 706 . 1 1 83 83 LEU N N 15 124.617 0.027 . 1 . . . . . . . . 5599 1 707 . 1 1 83 83 LEU CA C 13 58.846 0.102 . 1 . . . . . . . . 5599 1 708 . 1 1 83 83 LEU C C 13 178.252 0.0 . 1 . . . . . . . . 5599 1 709 . 1 1 83 83 LEU CB C 13 42.834 0.0 . 1 . . . . . . . . 5599 1 710 . 1 1 84 84 ILE H H 1 7.87 0.0020 . 1 . . . . . . . . 5599 1 711 . 1 1 84 84 ILE N N 15 119.332 0.016 . 1 . . . . . . . . 5599 1 712 . 1 1 84 84 ILE CA C 13 66.856 0.139 . 1 . . . . . . . . 5599 1 713 . 1 1 84 84 ILE HA H 1 3.624 0.0060 . 1 . . . . . . . . 5599 1 714 . 1 1 84 84 ILE C C 13 177.557 0.0 . 1 . . . . . . . . 5599 1 715 . 1 1 84 84 ILE CB C 13 38.972 0.191 . 1 . . . . . . . . 5599 1 716 . 1 1 84 84 ILE HB H 1 2.112 0.017 . 1 . . . . . . . . 5599 1 717 . 1 1 84 84 ILE CG2 C 13 18.487 0.0 . 1 . . . . . . . . 5599 1 718 . 1 1 84 84 ILE HG12 H 1 1.001 0.0040 . 1 . . . . . . . . 5599 1 719 . 1 1 84 84 ILE HG13 H 1 1.077 0.0080 . 1 . . . . . . . . 5599 1 720 . 1 1 84 84 ILE CD1 C 13 15.221 0.0090 . 1 . . . . . . . . 5599 1 721 . 1 1 84 84 ILE HD11 H 1 0.859 0.0070 . 1 . . . . . . . . 5599 1 722 . 1 1 84 84 ILE HD12 H 1 0.859 0.0070 . 1 . . . . . . . . 5599 1 723 . 1 1 84 84 ILE HD13 H 1 0.859 0.0070 . 1 . . . . . . . . 5599 1 724 . 1 1 85 85 VAL H H 1 7.841 0.0030 . 1 . . . . . . . . 5599 1 725 . 1 1 85 85 VAL N N 15 118.48 0.03 . 1 . . . . . . . . 5599 1 726 . 1 1 85 85 VAL CA C 13 68.33 0.078 . 1 . . . . . . . . 5599 1 727 . 1 1 85 85 VAL HA H 1 3.494 0.01 . 1 . . . . . . . . 5599 1 728 . 1 1 85 85 VAL C C 13 177.314 0.0 . 1 . . . . . . . . 5599 1 729 . 1 1 85 85 VAL CB C 13 32.23 0.198 . 1 . . . . . . . . 5599 1 730 . 1 1 85 85 VAL HB H 1 2.266 0.0060 . 1 . . . . . . . . 5599 1 731 . 1 1 85 85 VAL HG11 H 1 1.152 0.0030 . 1 . . . . . . . . 5599 1 732 . 1 1 85 85 VAL HG12 H 1 1.152 0.0030 . 1 . . . . . . . . 5599 1 733 . 1 1 85 85 VAL HG13 H 1 1.152 0.0030 . 1 . . . . . . . . 5599 1 734 . 1 1 85 85 VAL CG2 C 13 22.104 0.0 . 1 . . . . . . . . 5599 1 735 . 1 1 85 85 VAL HG21 H 1 1.04 0.015 . 1 . . . . . . . . 5599 1 736 . 1 1 85 85 VAL HG22 H 1 1.04 0.015 . 1 . . . . . . . . 5599 1 737 . 1 1 85 85 VAL HG23 H 1 1.04 0.015 . 1 . . . . . . . . 5599 1 738 . 1 1 86 86 SER H H 1 8.426 0.0030 . 1 . . . . . . . . 5599 1 739 . 1 1 86 86 SER N N 15 116.95 0.015 . 1 . . . . . . . . 5599 1 740 . 1 1 86 86 SER CA C 13 63.53 0.062 . 1 . . . . . . . . 5599 1 741 . 1 1 86 86 SER C C 13 176.71 0.0 . 1 . . . . . . . . 5599 1 742 . 1 1 87 87 ILE H H 1 8.37 0.0050 . 1 . . . . . . . . 5599 1 743 . 1 1 87 87 ILE N N 15 122.215 0.041 . 1 . . . . . . . . 5599 1 744 . 1 1 87 87 ILE CA C 13 66.984 0.176 . 1 . . . . . . . . 5599 1 745 . 1 1 87 87 ILE C C 13 179.024 0.0 . 1 . . . . . . . . 5599 1 746 . 1 1 87 87 ILE CB C 13 41.684 0.097 . 1 . . . . . . . . 5599 1 747 . 1 1 88 88 LEU H H 1 8.097 0.0080 . 1 . . . . . . . . 5599 1 748 . 1 1 88 88 LEU N N 15 120.312 0.033 . 1 . . . . . . . . 5599 1 749 . 1 1 88 88 LEU CA C 13 59.453 0.034 . 1 . . . . . . . . 5599 1 750 . 1 1 88 88 LEU HA H 1 4.156 0.015 . 1 . . . . . . . . 5599 1 751 . 1 1 88 88 LEU C C 13 179.822 0.0 . 1 . . . . . . . . 5599 1 752 . 1 1 88 88 LEU CB C 13 44.023 0.044 . 1 . . . . . . . . 5599 1 753 . 1 1 88 88 LEU HB2 H 1 1.397 0.0090 . 1 . . . . . . . . 5599 1 754 . 1 1 88 88 LEU HB3 H 1 2.174 0.0020 . 1 . . . . . . . . 5599 1 755 . 1 1 88 88 LEU HD11 H 1 0.972 0.0010 . 1 . . . . . . . . 5599 1 756 . 1 1 88 88 LEU HD12 H 1 0.972 0.0010 . 1 . . . . . . . . 5599 1 757 . 1 1 88 88 LEU HD13 H 1 0.972 0.0010 . 1 . . . . . . . . 5599 1 758 . 1 1 88 88 LEU HD21 H 1 0.84 0.0010 . 1 . . . . . . . . 5599 1 759 . 1 1 88 88 LEU HD22 H 1 0.84 0.0010 . 1 . . . . . . . . 5599 1 760 . 1 1 88 88 LEU HD23 H 1 0.84 0.0010 . 1 . . . . . . . . 5599 1 761 . 1 1 89 89 ARG H H 1 8.93 0.0060 . 1 . . . . . . . . 5599 1 762 . 1 1 89 89 ARG N N 15 118.996 0.017 . 1 . . . . . . . . 5599 1 763 . 1 1 89 89 ARG CA C 13 60.008 0.149 . 1 . . . . . . . . 5599 1 764 . 1 1 89 89 ARG HA H 1 3.877 0.016 . 1 . . . . . . . . 5599 1 765 . 1 1 89 89 ARG C C 13 179.728 0.0 . 1 . . . . . . . . 5599 1 766 . 1 1 89 89 ARG CB C 13 30.042 0.351 . 1 . . . . . . . . 5599 1 767 . 1 1 89 89 ARG HB2 H 1 1.819 0.012 . 1 . . . . . . . . 5599 1 768 . 1 1 89 89 ARG CG C 13 29.9 0.0 . 1 . . . . . . . . 5599 1 769 . 1 1 89 89 ARG HG2 H 1 1.492 0.011 . 1 . . . . . . . . 5599 1 770 . 1 1 89 89 ARG HG3 H 1 1.094 0.0040 . 1 . . . . . . . . 5599 1 771 . 1 1 89 89 ARG CD C 13 44.057 0.085 . 1 . . . . . . . . 5599 1 772 . 1 1 89 89 ARG HD2 H 1 3.082 0.011 . 1 . . . . . . . . 5599 1 773 . 1 1 90 90 SER H H 1 7.838 0.0020 . 1 . . . . . . . . 5599 1 774 . 1 1 90 90 SER N N 15 115.092 0.031 . 1 . . . . . . . . 5599 1 775 . 1 1 90 90 SER CA C 13 61.525 0.114 . 1 . . . . . . . . 5599 1 776 . 1 1 90 90 SER HA H 1 4.348 0.01 . 1 . . . . . . . . 5599 1 777 . 1 1 90 90 SER C C 13 175.723 0.0 . 1 . . . . . . . . 5599 1 778 . 1 1 90 90 SER CB C 13 63.933 0.056 . 1 . . . . . . . . 5599 1 779 . 1 1 90 90 SER HB2 H 1 4.033 0.0020 . 1 . . . . . . . . 5599 1 780 . 1 1 91 91 TRP H H 1 7.7 0.0040 . 1 . . . . . . . . 5599 1 781 . 1 1 91 91 TRP N N 15 122.566 0.042 . 1 . . . . . . . . 5599 1 782 . 1 1 91 91 TRP CA C 13 60.007 0.13 . 1 . . . . . . . . 5599 1 783 . 1 1 91 91 TRP HA H 1 4.612 0.0090 . 1 . . . . . . . . 5599 1 784 . 1 1 91 91 TRP C C 13 176.493 0.0 . 1 . . . . . . . . 5599 1 785 . 1 1 91 91 TRP CB C 13 30.519 0.108 . 1 . . . . . . . . 5599 1 786 . 1 1 91 91 TRP HB2 H 1 3.151 0.0090 . 1 . . . . . . . . 5599 1 787 . 1 1 91 91 TRP HB3 H 1 3.558 0.0080 . 1 . . . . . . . . 5599 1 788 . 1 1 92 92 ASN H H 1 7.249 0.0010 . 1 . . . . . . . . 5599 1 789 . 1 1 92 92 ASN N N 15 120.59 0.038 . 1 . . . . . . . . 5599 1 790 . 1 1 92 92 ASN CA C 13 58.401 0.081 . 1 . . . . . . . . 5599 1 791 . 1 1 92 92 ASN HA H 1 4.59 0.0070 . 1 . . . . . . . . 5599 1 792 . 1 1 92 92 ASN C C 13 177.225 0.0 . 1 . . . . . . . . 5599 1 793 . 1 1 92 92 ASN CB C 13 39.466 0.104 . 1 . . . . . . . . 5599 1 794 . 1 1 92 92 ASN HB2 H 1 2.968 0.0020 . 1 . . . . . . . . 5599 1 795 . 1 1 93 93 GLU H H 1 9.208 0.0040 . 1 . . . . . . . . 5599 1 796 . 1 1 93 93 GLU N N 15 120.386 0.028 . 1 . . . . . . . . 5599 1 797 . 1 1 93 93 GLU CA C 13 61.681 0.02 . 1 . . . . . . . . 5599 1 798 . 1 1 93 93 GLU C C 13 175.682 0.0 . 1 . . . . . . . . 5599 1 799 . 1 1 93 93 GLU CB C 13 27.977 0.0 . 1 . . . . . . . . 5599 1 800 . 1 1 94 94 PRO CA C 13 66.547 0.097 . 1 . . . . . . . . 5599 1 801 . 1 1 94 94 PRO C C 13 178.201 0.0 . 1 . . . . . . . . 5599 1 802 . 1 1 94 94 PRO CB C 13 29.583 0.0 . 1 . . . . . . . . 5599 1 803 . 1 1 95 95 LEU H H 1 7.74 0.0020 . 1 . . . . . . . . 5599 1 804 . 1 1 95 95 LEU N N 15 114.717 0.026 . 1 . . . . . . . . 5599 1 805 . 1 1 95 95 LEU CA C 13 58.905 0.103 . 1 . . . . . . . . 5599 1 806 . 1 1 95 95 LEU C C 13 178.178 0.0 . 1 . . . . . . . . 5599 1 807 . 1 1 95 95 LEU CB C 13 42.043 0.173 . 1 . . . . . . . . 5599 1 808 . 1 1 96 96 TYR H H 1 7.742 0.0040 . 1 . . . . . . . . 5599 1 809 . 1 1 96 96 TYR N N 15 120.997 0.019 . 1 . . . . . . . . 5599 1 810 . 1 1 96 96 TYR CA C 13 61.762 0.067 . 1 . . . . . . . . 5599 1 811 . 1 1 96 96 TYR HA H 1 4.295 0.0070 . 1 . . . . . . . . 5599 1 812 . 1 1 96 96 TYR C C 13 179.405 0.0 . 1 . . . . . . . . 5599 1 813 . 1 1 96 96 TYR CB C 13 38.358 0.039 . 1 . . . . . . . . 5599 1 814 . 1 1 96 96 TYR HB2 H 1 3.253 0.019 . 1 . . . . . . . . 5599 1 815 . 1 1 97 97 HIS H H 1 8.145 0.0030 . 1 . . . . . . . . 5599 1 816 . 1 1 97 97 HIS N N 15 120.525 0.029 . 1 . . . . . . . . 5599 1 817 . 1 1 97 97 HIS CA C 13 60.707 0.08 . 1 . . . . . . . . 5599 1 818 . 1 1 97 97 HIS HA H 1 4.243 0.0010 . 1 . . . . . . . . 5599 1 819 . 1 1 97 97 HIS C C 13 176.791 0.0 . 1 . . . . . . . . 5599 1 820 . 1 1 97 97 HIS CB C 13 31.321 0.041 . 1 . . . . . . . . 5599 1 821 . 1 1 97 97 HIS HB2 H 1 3.233 0.0090 . 1 . . . . . . . . 5599 1 822 . 1 1 97 97 HIS HB3 H 1 3.134 0.02 . 1 . . . . . . . . 5599 1 823 . 1 1 98 98 LEU H H 1 8.833 0.0030 . 1 . . . . . . . . 5599 1 824 . 1 1 98 98 LEU N N 15 123.094 0.089 . 1 . . . . . . . . 5599 1 825 . 1 1 98 98 LEU CA C 13 59.479 0.033 . 1 . . . . . . . . 5599 1 826 . 1 1 98 98 LEU C C 13 177.51 0.0 . 1 . . . . . . . . 5599 1 827 . 1 1 98 98 LEU CB C 13 42.608 0.0 . 1 . . . . . . . . 5599 1 828 . 1 1 99 99 VAL H H 1 7.68 0.0030 . 1 . . . . . . . . 5599 1 829 . 1 1 99 99 VAL N N 15 117.339 0.0070 . 1 . . . . . . . . 5599 1 830 . 1 1 99 99 VAL CA C 13 67.999 0.065 . 1 . . . . . . . . 5599 1 831 . 1 1 99 99 VAL HA H 1 3.274 0.0050 . 1 . . . . . . . . 5599 1 832 . 1 1 99 99 VAL C C 13 177.316 0.0 . 1 . . . . . . . . 5599 1 833 . 1 1 99 99 VAL CB C 13 32.571 0.08 . 1 . . . . . . . . 5599 1 834 . 1 1 99 99 VAL HB H 1 2.089 0.0070 . 1 . . . . . . . . 5599 1 835 . 1 1 99 99 VAL CG1 C 13 24.063 0.018 . 1 . . . . . . . . 5599 1 836 . 1 1 99 99 VAL HG11 H 1 1.034 0.01 . 1 . . . . . . . . 5599 1 837 . 1 1 99 99 VAL HG12 H 1 1.034 0.01 . 1 . . . . . . . . 5599 1 838 . 1 1 99 99 VAL HG13 H 1 1.034 0.01 . 1 . . . . . . . . 5599 1 839 . 1 1 99 99 VAL CG2 C 13 22.526 0.025 . 1 . . . . . . . . 5599 1 840 . 1 1 99 99 VAL HG21 H 1 0.894 0.0030 . 1 . . . . . . . . 5599 1 841 . 1 1 99 99 VAL HG22 H 1 0.894 0.0030 . 1 . . . . . . . . 5599 1 842 . 1 1 99 99 VAL HG23 H 1 0.894 0.0030 . 1 . . . . . . . . 5599 1 843 . 1 1 100 100 THR H H 1 7.555 0.0080 . 1 . . . . . . . . 5599 1 844 . 1 1 100 100 THR N N 15 114.507 0.046 . 1 . . . . . . . . 5599 1 845 . 1 1 100 100 THR CA C 13 67.547 0.066 . 1 . . . . . . . . 5599 1 846 . 1 1 100 100 THR HA H 1 3.649 0.0080 . 1 . . . . . . . . 5599 1 847 . 1 1 100 100 THR C C 13 177.702 0.0 . 1 . . . . . . . . 5599 1 848 . 1 1 100 100 THR CB C 13 69.322 0.19 . 1 . . . . . . . . 5599 1 849 . 1 1 100 100 THR HB H 1 4.15 0.011 . 1 . . . . . . . . 5599 1 850 . 1 1 100 100 THR HG21 H 1 1.142 0.0010 . 1 . . . . . . . . 5599 1 851 . 1 1 100 100 THR HG22 H 1 1.142 0.0010 . 1 . . . . . . . . 5599 1 852 . 1 1 100 100 THR HG23 H 1 1.142 0.0010 . 1 . . . . . . . . 5599 1 853 . 1 1 101 101 GLU H H 1 8.949 0.0030 . 1 . . . . . . . . 5599 1 854 . 1 1 101 101 GLU N N 15 122.095 0.012 . 1 . . . . . . . . 5599 1 855 . 1 1 101 101 GLU CA C 13 59.354 0.046 . 1 . . . . . . . . 5599 1 856 . 1 1 101 101 GLU HA H 1 4.056 0.0010 . 1 . . . . . . . . 5599 1 857 . 1 1 101 101 GLU C C 13 180.416 0.0 . 1 . . . . . . . . 5599 1 858 . 1 1 101 101 GLU CB C 13 30.484 0.048 . 1 . . . . . . . . 5599 1 859 . 1 1 101 101 GLU HB2 H 1 2.156 0.0040 . 1 . . . . . . . . 5599 1 860 . 1 1 101 101 GLU CG C 13 36.831 0.197 . 1 . . . . . . . . 5599 1 861 . 1 1 101 101 GLU HG2 H 1 2.406 0.0070 . 1 . . . . . . . . 5599 1 862 . 1 1 102 102 VAL H H 1 8.466 0.0040 . 1 . . . . . . . . 5599 1 863 . 1 1 102 102 VAL N N 15 121.276 0.022 . 1 . . . . . . . . 5599 1 864 . 1 1 102 102 VAL CA C 13 66.762 0.077 . 1 . . . . . . . . 5599 1 865 . 1 1 102 102 VAL HA H 1 3.934 0.0090 . 1 . . . . . . . . 5599 1 866 . 1 1 102 102 VAL C C 13 178.596 0.0 . 1 . . . . . . . . 5599 1 867 . 1 1 102 102 VAL CB C 13 31.452 0.256 . 1 . . . . . . . . 5599 1 868 . 1 1 102 102 VAL HB H 1 2.249 0.0020 . 1 . . . . . . . . 5599 1 869 . 1 1 102 102 VAL CG1 C 13 23.683 0.188 . 1 . . . . . . . . 5599 1 870 . 1 1 102 102 VAL HG11 H 1 1.131 0.0070 . 1 . . . . . . . . 5599 1 871 . 1 1 102 102 VAL HG12 H 1 1.131 0.0070 . 1 . . . . . . . . 5599 1 872 . 1 1 102 102 VAL HG13 H 1 1.131 0.0070 . 1 . . . . . . . . 5599 1 873 . 1 1 102 102 VAL CG2 C 13 23.017 0.034 . 1 . . . . . . . . 5599 1 874 . 1 1 102 102 VAL HG21 H 1 1.012 0.053 . 1 . . . . . . . . 5599 1 875 . 1 1 102 102 VAL HG22 H 1 1.012 0.053 . 1 . . . . . . . . 5599 1 876 . 1 1 102 102 VAL HG23 H 1 1.012 0.053 . 1 . . . . . . . . 5599 1 877 . 1 1 103 103 ARG H H 1 8.275 0.0020 . 1 . . . . . . . . 5599 1 878 . 1 1 103 103 ARG N N 15 120.061 0.088 . 1 . . . . . . . . 5599 1 879 . 1 1 103 103 ARG CA C 13 60.056 0.038 . 1 . . . . . . . . 5599 1 880 . 1 1 103 103 ARG HA H 1 3.977 0.0030 . 1 . . . . . . . . 5599 1 881 . 1 1 103 103 ARG C C 13 177.707 0.0 . 1 . . . . . . . . 5599 1 882 . 1 1 103 103 ARG CB C 13 31.005 0.239 . 1 . . . . . . . . 5599 1 883 . 1 1 103 103 ARG HB2 H 1 1.915 0.028 . 1 . . . . . . . . 5599 1 884 . 1 1 103 103 ARG HG2 H 1 1.84 0.0020 . 1 . . . . . . . . 5599 1 885 . 1 1 103 103 ARG CD C 13 44.2 0.0 . 1 . . . . . . . . 5599 1 886 . 1 1 103 103 ARG HD2 H 1 3.248 0.0070 . 1 . . . . . . . . 5599 1 887 . 1 1 104 104 GLY H H 1 7.364 0.0020 . 1 . . . . . . . . 5599 1 888 . 1 1 104 104 GLY N N 15 104.273 0.019 . 1 . . . . . . . . 5599 1 889 . 1 1 104 104 GLY CA C 13 45.573 0.064 . 1 . . . . . . . . 5599 1 890 . 1 1 104 104 GLY HA2 H 1 4.252 0.014 . 1 . . . . . . . . 5599 1 891 . 1 1 104 104 GLY HA3 H 1 3.832 0.0080 . 1 . . . . . . . . 5599 1 892 . 1 1 104 104 GLY C C 13 174.396 0.0 . 1 . . . . . . . . 5599 1 893 . 1 1 105 105 MET H H 1 7.463 0.0030 . 1 . . . . . . . . 5599 1 894 . 1 1 105 105 MET N N 15 122.592 0.056 . 1 . . . . . . . . 5599 1 895 . 1 1 105 105 MET CA C 13 56.929 0.021 . 1 . . . . . . . . 5599 1 896 . 1 1 105 105 MET HA H 1 4.392 0.0 . 1 . . . . . . . . 5599 1 897 . 1 1 105 105 MET C C 13 176.358 0.0 . 1 . . . . . . . . 5599 1 898 . 1 1 105 105 MET CB C 13 33.836 0.162 . 1 . . . . . . . . 5599 1 899 . 1 1 106 106 GLN H H 1 8.612 0.0030 . 1 . . . . . . . . 5599 1 900 . 1 1 106 106 GLN N N 15 124.6 0.018 . 1 . . . . . . . . 5599 1 901 . 1 1 106 106 GLN CA C 13 58.525 0.062 . 1 . . . . . . . . 5599 1 902 . 1 1 106 106 GLN HA H 1 4.179 0.0 . 1 . . . . . . . . 5599 1 903 . 1 1 106 106 GLN C C 13 176.805 0.0 . 1 . . . . . . . . 5599 1 904 . 1 1 106 106 GLN CB C 13 29.29 0.15 . 1 . . . . . . . . 5599 1 905 . 1 1 106 106 GLN HB2 H 1 2.164 0.0050 . 1 . . . . . . . . 5599 1 906 . 1 1 106 106 GLN CG C 13 34.665 0.035 . 1 . . . . . . . . 5599 1 907 . 1 1 106 106 GLN HG2 H 1 2.516 0.0020 . 1 . . . . . . . . 5599 1 908 . 1 1 107 107 GLU H H 1 8.66 0.0030 . 1 . . . . . . . . 5599 1 909 . 1 1 107 107 GLU N N 15 119.985 0.049 . 1 . . . . . . . . 5599 1 910 . 1 1 107 107 GLU CA C 13 56.496 0.082 . 1 . . . . . . . . 5599 1 911 . 1 1 107 107 GLU HA H 1 4.258 0.0060 . 1 . . . . . . . . 5599 1 912 . 1 1 107 107 GLU C C 13 175.607 0.0070 . 1 . . . . . . . . 5599 1 913 . 1 1 107 107 GLU CB C 13 29.213 0.081 . 1 . . . . . . . . 5599 1 914 . 1 1 107 107 GLU HB2 H 1 2.179 0.01 . 1 . . . . . . . . 5599 1 915 . 1 1 107 107 GLU CG C 13 37.099 0.0020 . 1 . . . . . . . . 5599 1 916 . 1 1 107 107 GLU HG2 H 1 2.288 0.0060 . 1 . . . . . . . . 5599 1 917 . 1 1 108 108 ALA H H 1 7.772 0.0020 . 1 . . . . . . . . 5599 1 918 . 1 1 108 108 ALA N N 15 125.481 0.022 . 1 . . . . . . . . 5599 1 919 . 1 1 108 108 ALA CA C 13 51.569 0.016 . 1 . . . . . . . . 5599 1 920 . 1 1 108 108 ALA HA H 1 4.518 0.013 . 1 . . . . . . . . 5599 1 921 . 1 1 108 108 ALA C C 13 176.308 0.0 . 1 . . . . . . . . 5599 1 922 . 1 1 108 108 ALA CB C 13 19.06 0.0 . 1 . . . . . . . . 5599 1 923 . 1 1 108 108 ALA HB1 H 1 1.454 0.0020 . 1 . . . . . . . . 5599 1 924 . 1 1 108 108 ALA HB2 H 1 1.454 0.0020 . 1 . . . . . . . . 5599 1 925 . 1 1 108 108 ALA HB3 H 1 1.454 0.0020 . 1 . . . . . . . . 5599 1 926 . 1 1 109 109 PRO CA C 13 56.481 0.041 . 1 . . . . . . . . 5599 1 927 . 1 1 109 109 PRO C C 13 176.207 0.0 . 1 . . . . . . . . 5599 1 928 . 1 1 109 109 PRO CB C 13 33.888 0.0 . 1 . . . . . . . . 5599 1 929 . 1 1 110 110 GLU H H 1 8.427 0.0060 . 1 . . . . . . . . 5599 1 930 . 1 1 110 110 GLU N N 15 123.885 0.06 . 1 . . . . . . . . 5599 1 931 . 1 1 110 110 GLU CA C 13 56.929 0.13 . 1 . . . . . . . . 5599 1 932 . 1 1 110 110 GLU HA H 1 4.369 0.014 . 1 . . . . . . . . 5599 1 933 . 1 1 110 110 GLU C C 13 175.552 0.0 . 1 . . . . . . . . 5599 1 934 . 1 1 110 110 GLU CB C 13 29.9 0.0 . 1 . . . . . . . . 5599 1 935 . 1 1 110 110 GLU HB2 H 1 2.122 0.0080 . 1 . . . . . . . . 5599 1 936 . 1 1 110 110 GLU CG C 13 36.861 0.039 . 1 . . . . . . . . 5599 1 937 . 1 1 110 110 GLU HG2 H 1 2.317 0.0070 . 1 . . . . . . . . 5599 1 938 . 1 1 111 111 ALA H H 1 8.092 0.0030 . 1 . . . . . . . . 5599 1 939 . 1 1 111 111 ALA N N 15 125.292 0.033 . 1 . . . . . . . . 5599 1 940 . 1 1 111 111 ALA CA C 13 55.332 0.095 . 1 . . . . . . . . 5599 1 941 . 1 1 111 111 ALA HA H 1 4.285 0.023 . 1 . . . . . . . . 5599 1 942 . 1 1 111 111 ALA C C 13 179.729 0.0 . 1 . . . . . . . . 5599 1 943 . 1 1 111 111 ALA CB C 13 19.315 0.015 . 1 . . . . . . . . 5599 1 944 . 1 1 111 111 ALA HB1 H 1 1.452 0.0030 . 1 . . . . . . . . 5599 1 945 . 1 1 111 111 ALA HB2 H 1 1.452 0.0030 . 1 . . . . . . . . 5599 1 946 . 1 1 111 111 ALA HB3 H 1 1.452 0.0030 . 1 . . . . . . . . 5599 1 947 . 1 1 112 112 ILE H H 1 7.201 0.0020 . 1 . . . . . . . . 5599 1 948 . 1 1 112 112 ILE N N 15 115.256 0.045 . 1 . . . . . . . . 5599 1 949 . 1 1 112 112 ILE CA C 13 64.66 0.058 . 1 . . . . . . . . 5599 1 950 . 1 1 112 112 ILE HA H 1 3.935 0.0070 . 1 . . . . . . . . 5599 1 951 . 1 1 112 112 ILE C C 13 176.461 0.0 . 1 . . . . . . . . 5599 1 952 . 1 1 112 112 ILE CB C 13 38.439 0.049 . 1 . . . . . . . . 5599 1 953 . 1 1 112 112 ILE HB H 1 2.065 0.0050 . 1 . . . . . . . . 5599 1 954 . 1 1 112 112 ILE CG2 C 13 17.458 0.117 . 1 . . . . . . . . 5599 1 955 . 1 1 112 112 ILE HG13 H 1 1.081 0.01 . 1 . . . . . . . . 5599 1 956 . 1 1 112 112 ILE CD1 C 13 13.6 0.213 . 1 . . . . . . . . 5599 1 957 . 1 1 112 112 ILE HD11 H 1 1.082 0.011 . 1 . . . . . . . . 5599 1 958 . 1 1 112 112 ILE HD12 H 1 1.082 0.011 . 1 . . . . . . . . 5599 1 959 . 1 1 112 112 ILE HD13 H 1 1.082 0.011 . 1 . . . . . . . . 5599 1 960 . 1 1 113 113 LEU H H 1 7.831 0.0040 . 1 . . . . . . . . 5599 1 961 . 1 1 113 113 LEU N N 15 121.303 0.054 . 1 . . . . . . . . 5599 1 962 . 1 1 113 113 LEU CA C 13 59.108 0.067 . 1 . . . . . . . . 5599 1 963 . 1 1 113 113 LEU HA H 1 4.057 0.0 . 1 . . . . . . . . 5599 1 964 . 1 1 113 113 LEU C C 13 177.603 0.0 . 1 . . . . . . . . 5599 1 965 . 1 1 113 113 LEU CB C 13 42.116 0.202 . 1 . . . . . . . . 5599 1 966 . 1 1 113 113 LEU HB2 H 1 1.926 0.0020 . 1 . . . . . . . . 5599 1 967 . 1 1 113 113 LEU HD11 H 1 0.991 0.0 . 1 . . . . . . . . 5599 1 968 . 1 1 113 113 LEU HD12 H 1 0.991 0.0 . 1 . . . . . . . . 5599 1 969 . 1 1 113 113 LEU HD13 H 1 0.991 0.0 . 1 . . . . . . . . 5599 1 970 . 1 1 114 114 SER H H 1 8.462 0.0050 . 1 . . . . . . . . 5599 1 971 . 1 1 114 114 SER N N 15 112.097 0.023 . 1 . . . . . . . . 5599 1 972 . 1 1 114 114 SER CA C 13 62.167 0.048 . 1 . . . . . . . . 5599 1 973 . 1 1 114 114 SER HA H 1 4.163 0.0060 . 1 . . . . . . . . 5599 1 974 . 1 1 114 114 SER C C 13 178.041 0.0 . 1 . . . . . . . . 5599 1 975 . 1 1 114 114 SER CB C 13 63.2 0.265 . 1 . . . . . . . . 5599 1 976 . 1 1 114 114 SER HB2 H 1 4.021 0.0080 . 1 . . . . . . . . 5599 1 977 . 1 1 115 115 LYS H H 1 7.154 0.0040 . 1 . . . . . . . . 5599 1 978 . 1 1 115 115 LYS N N 15 121.925 0.052 . 1 . . . . . . . . 5599 1 979 . 1 1 115 115 LYS CA C 13 60.077 0.047 . 1 . . . . . . . . 5599 1 980 . 1 1 115 115 LYS C C 13 176.941 0.0 . 1 . . . . . . . . 5599 1 981 . 1 1 115 115 LYS CB C 13 33.55 0.072 . 1 . . . . . . . . 5599 1 982 . 1 1 116 116 ALA H H 1 8.296 0.0080 . 1 . . . . . . . . 5599 1 983 . 1 1 116 116 ALA N N 15 124.335 0.039 . 1 . . . . . . . . 5599 1 984 . 1 1 116 116 ALA CA C 13 56.442 0.056 . 1 . . . . . . . . 5599 1 985 . 1 1 116 116 ALA HA H 1 3.874 0.0060 . 1 . . . . . . . . 5599 1 986 . 1 1 116 116 ALA C C 13 178.75 0.0 . 1 . . . . . . . . 5599 1 987 . 1 1 116 116 ALA CB C 13 18.349 0.363 . 1 . . . . . . . . 5599 1 988 . 1 1 116 116 ALA HB1 H 1 1.524 0.0040 . 1 . . . . . . . . 5599 1 989 . 1 1 116 116 ALA HB2 H 1 1.524 0.0040 . 1 . . . . . . . . 5599 1 990 . 1 1 116 116 ALA HB3 H 1 1.524 0.0040 . 1 . . . . . . . . 5599 1 991 . 1 1 117 117 VAL H H 1 8.281 0.0040 . 1 . . . . . . . . 5599 1 992 . 1 1 117 117 VAL N N 15 118.087 0.028 . 1 . . . . . . . . 5599 1 993 . 1 1 117 117 VAL CA C 13 66.603 0.094 . 1 . . . . . . . . 5599 1 994 . 1 1 117 117 VAL HA H 1 3.746 0.0050 . 1 . . . . . . . . 5599 1 995 . 1 1 117 117 VAL C C 13 179.046 0.0 . 1 . . . . . . . . 5599 1 996 . 1 1 117 117 VAL CB C 13 33.108 0.03 . 1 . . . . . . . . 5599 1 997 . 1 1 117 117 VAL HB H 1 2.198 0.0050 . 1 . . . . . . . . 5599 1 998 . 1 1 117 117 VAL CG1 C 13 21.501 0.143 . 1 . . . . . . . . 5599 1 999 . 1 1 117 117 VAL HG11 H 1 1.061 0.0040 . 1 . . . . . . . . 5599 1 1000 . 1 1 117 117 VAL HG12 H 1 1.061 0.0040 . 1 . . . . . . . . 5599 1 1001 . 1 1 117 117 VAL HG13 H 1 1.061 0.0040 . 1 . . . . . . . . 5599 1 1002 . 1 1 117 117 VAL CG2 C 13 23.865 0.092 . 1 . . . . . . . . 5599 1 1003 . 1 1 117 117 VAL HG21 H 1 1.175 0.0040 . 1 . . . . . . . . 5599 1 1004 . 1 1 117 117 VAL HG22 H 1 1.175 0.0040 . 1 . . . . . . . . 5599 1 1005 . 1 1 117 117 VAL HG23 H 1 1.175 0.0040 . 1 . . . . . . . . 5599 1 1006 . 1 1 118 118 GLU H H 1 7.472 0.0020 . 1 . . . . . . . . 5599 1 1007 . 1 1 118 118 GLU N N 15 121.525 0.027 . 1 . . . . . . . . 5599 1 1008 . 1 1 118 118 GLU CA C 13 59.664 0.074 . 1 . . . . . . . . 5599 1 1009 . 1 1 118 118 GLU HA H 1 4.455 0.015 . 1 . . . . . . . . 5599 1 1010 . 1 1 118 118 GLU C C 13 178.879 0.0 . 1 . . . . . . . . 5599 1 1011 . 1 1 118 118 GLU CB C 13 30.716 0.032 . 1 . . . . . . . . 5599 1 1012 . 1 1 118 118 GLU HB2 H 1 2.149 0.012 . 1 . . . . . . . . 5599 1 1013 . 1 1 118 118 GLU HB3 H 1 2.248 0.013 . 1 . . . . . . . . 5599 1 1014 . 1 1 118 118 GLU CG C 13 36.6 0.0 . 1 . . . . . . . . 5599 1 1015 . 1 1 118 118 GLU HG2 H 1 2.403 0.012 . 1 . . . . . . . . 5599 1 1016 . 1 1 119 119 ILE H H 1 8.944 0.0040 . 1 . . . . . . . . 5599 1 1017 . 1 1 119 119 ILE N N 15 121.369 0.098 . 1 . . . . . . . . 5599 1 1018 . 1 1 119 119 ILE CA C 13 67.122 0.084 . 1 . . . . . . . . 5599 1 1019 . 1 1 119 119 ILE HA H 1 3.497 0.01 . 1 . . . . . . . . 5599 1 1020 . 1 1 119 119 ILE C C 13 178.711 0.0 . 1 . . . . . . . . 5599 1 1021 . 1 1 119 119 ILE CB C 13 38.428 0.096 . 1 . . . . . . . . 5599 1 1022 . 1 1 119 119 ILE HB H 1 1.821 0.013 . 1 . . . . . . . . 5599 1 1023 . 1 1 119 119 ILE CG2 C 13 18.771 0.101 . 1 . . . . . . . . 5599 1 1024 . 1 1 119 119 ILE HG13 H 1 0.908 0.0020 . 1 . . . . . . . . 5599 1 1025 . 1 1 119 119 ILE CD1 C 13 14.916 0.044 . 1 . . . . . . . . 5599 1 1026 . 1 1 119 119 ILE HD11 H 1 0.709 0.0030 . 1 . . . . . . . . 5599 1 1027 . 1 1 119 119 ILE HD12 H 1 0.709 0.0030 . 1 . . . . . . . . 5599 1 1028 . 1 1 119 119 ILE HD13 H 1 0.709 0.0030 . 1 . . . . . . . . 5599 1 1029 . 1 1 120 120 GLU H H 1 8.439 0.0060 . 1 . . . . . . . . 5599 1 1030 . 1 1 120 120 GLU N N 15 125.252 0.028 . 1 . . . . . . . . 5599 1 1031 . 1 1 120 120 GLU CA C 13 61.503 0.032 . 1 . . . . . . . . 5599 1 1032 . 1 1 120 120 GLU HA H 1 3.933 0.0090 . 1 . . . . . . . . 5599 1 1033 . 1 1 120 120 GLU C C 13 177.981 0.0 . 1 . . . . . . . . 5599 1 1034 . 1 1 120 120 GLU CB C 13 29.794 0.073 . 1 . . . . . . . . 5599 1 1035 . 1 1 120 120 GLU HB2 H 1 2.243 0.0030 . 1 . . . . . . . . 5599 1 1036 . 1 1 120 120 GLU CG C 13 35.732 0.074 . 1 . . . . . . . . 5599 1 1037 . 1 1 120 120 GLU HG2 H 1 2.405 0.0060 . 1 . . . . . . . . 5599 1 1038 . 1 1 121 121 GLU H H 1 7.675 0.0030 . 1 . . . . . . . . 5599 1 1039 . 1 1 121 121 GLU N N 15 119.01 0.025 . 1 . . . . . . . . 5599 1 1040 . 1 1 121 121 GLU CA C 13 59.814 0.062 . 1 . . . . . . . . 5599 1 1041 . 1 1 121 121 GLU HA H 1 4.169 0.013 . 1 . . . . . . . . 5599 1 1042 . 1 1 121 121 GLU C C 13 179.584 0.0010 . 1 . . . . . . . . 5599 1 1043 . 1 1 121 121 GLU CB C 13 30.133 0.08 . 1 . . . . . . . . 5599 1 1044 . 1 1 121 121 GLU HB2 H 1 2.163 0.0060 . 1 . . . . . . . . 5599 1 1045 . 1 1 121 121 GLU CG C 13 36.142 0.042 . 1 . . . . . . . . 5599 1 1046 . 1 1 121 121 GLU HG2 H 1 2.407 0.017 . 1 . . . . . . . . 5599 1 1047 . 1 1 122 122 GLN H H 1 9.011 0.0020 . 1 . . . . . . . . 5599 1 1048 . 1 1 122 122 GLN N N 15 117.308 0.017 . 1 . . . . . . . . 5599 1 1049 . 1 1 122 122 GLN CA C 13 58.514 0.026 . 1 . . . . . . . . 5599 1 1050 . 1 1 122 122 GLN C C 13 179.105 0.0 . 1 . . . . . . . . 5599 1 1051 . 1 1 122 122 GLN CB C 13 30.514 0.0 . 1 . . . . . . . . 5599 1 1052 . 1 1 123 123 THR H H 1 8.493 0.0060 . 1 . . . . . . . . 5599 1 1053 . 1 1 123 123 THR N N 15 117.583 0.071 . 1 . . . . . . . . 5599 1 1054 . 1 1 123 123 THR CA C 13 68.656 0.136 . 1 . . . . . . . . 5599 1 1055 . 1 1 123 123 THR HA H 1 4.509 0.012 . 1 . . . . . . . . 5599 1 1056 . 1 1 123 123 THR C C 13 176.819 0.0 . 1 . . . . . . . . 5599 1 1057 . 1 1 123 123 THR CB C 13 62.639 0.273 . 1 . . . . . . . . 5599 1 1058 . 1 1 123 123 THR HB H 1 4.037 0.0070 . 1 . . . . . . . . 5599 1 1059 . 1 1 123 123 THR CG2 C 13 22.399 0.026 . 1 . . . . . . . . 5599 1 1060 . 1 1 123 123 THR HG21 H 1 0.677 0.0040 . 1 . . . . . . . . 5599 1 1061 . 1 1 123 123 THR HG22 H 1 0.677 0.0040 . 1 . . . . . . . . 5599 1 1062 . 1 1 123 123 THR HG23 H 1 0.677 0.0040 . 1 . . . . . . . . 5599 1 1063 . 1 1 124 124 LYS H H 1 7.144 0.0030 . 1 . . . . . . . . 5599 1 1064 . 1 1 124 124 LYS N N 15 122.29 0.017 . 1 . . . . . . . . 5599 1 1065 . 1 1 124 124 LYS CA C 13 61.013 0.065 . 1 . . . . . . . . 5599 1 1066 . 1 1 124 124 LYS HA H 1 3.961 0.0060 . 1 . . . . . . . . 5599 1 1067 . 1 1 124 124 LYS C C 13 179.774 0.0 . 1 . . . . . . . . 5599 1 1068 . 1 1 124 124 LYS CB C 13 32.72 0.02 . 1 . . . . . . . . 5599 1 1069 . 1 1 124 124 LYS HB2 H 1 1.925 0.0090 . 1 . . . . . . . . 5599 1 1070 . 1 1 124 124 LYS CD C 13 27.6 0.0 . 1 . . . . . . . . 5599 1 1071 . 1 1 124 124 LYS HD2 H 1 1.702 0.0090 . 1 . . . . . . . . 5599 1 1072 . 1 1 124 124 LYS CE C 13 43.477 0.0 . 1 . . . . . . . . 5599 1 1073 . 1 1 124 124 LYS HE2 H 1 3.253 0.013 . 1 . . . . . . . . 5599 1 1074 . 1 1 125 125 ARG H H 1 7.644 0.0030 . 1 . . . . . . . . 5599 1 1075 . 1 1 125 125 ARG N N 15 120.087 0.02 . 1 . . . . . . . . 5599 1 1076 . 1 1 125 125 ARG CA C 13 59.283 0.184 . 1 . . . . . . . . 5599 1 1077 . 1 1 125 125 ARG HA H 1 4.255 0.0020 . 1 . . . . . . . . 5599 1 1078 . 1 1 125 125 ARG C C 13 179.875 0.0 . 1 . . . . . . . . 5599 1 1079 . 1 1 125 125 ARG CB C 13 30.79 0.095 . 1 . . . . . . . . 5599 1 1080 . 1 1 125 125 ARG HB2 H 1 1.935 0.0 . 1 . . . . . . . . 5599 1 1081 . 1 1 125 125 ARG CG C 13 27.624 0.0 . 1 . . . . . . . . 5599 1 1082 . 1 1 125 125 ARG HG2 H 1 1.45 0.0 . 1 . . . . . . . . 5599 1 1083 . 1 1 125 125 ARG CD C 13 44.039 0.0 . 1 . . . . . . . . 5599 1 1084 . 1 1 125 125 ARG HD2 H 1 3.262 0.0030 . 1 . . . . . . . . 5599 1 1085 . 1 1 126 126 LEU H H 1 8.796 0.0050 . 1 . . . . . . . . 5599 1 1086 . 1 1 126 126 LEU N N 15 124.479 0.054 . 1 . . . . . . . . 5599 1 1087 . 1 1 126 126 LEU CA C 13 58.312 0.04 . 1 . . . . . . . . 5599 1 1088 . 1 1 126 126 LEU C C 13 178.24 0.0 . 1 . . . . . . . . 5599 1 1089 . 1 1 126 126 LEU CB C 13 41.115 0.156 . 1 . . . . . . . . 5599 1 1090 . 1 1 127 127 LEU H H 1 8.468 0.0040 . 1 . . . . . . . . 5599 1 1091 . 1 1 127 127 LEU N N 15 122.273 0.026 . 1 . . . . . . . . 5599 1 1092 . 1 1 127 127 LEU CA C 13 59.359 0.107 . 1 . . . . . . . . 5599 1 1093 . 1 1 127 127 LEU C C 13 177.861 0.0 . 1 . . . . . . . . 5599 1 1094 . 1 1 127 127 LEU CB C 13 41.561 0.107 . 1 . . . . . . . . 5599 1 1095 . 1 1 128 128 GLU H H 1 7.932 0.0090 . 1 . . . . . . . . 5599 1 1096 . 1 1 128 128 GLU N N 15 119.552 0.14 . 1 . . . . . . . . 5599 1 1097 . 1 1 128 128 GLU CA C 13 60.055 0.073 . 1 . . . . . . . . 5599 1 1098 . 1 1 128 128 GLU HA H 1 4.174 0.0090 . 1 . . . . . . . . 5599 1 1099 . 1 1 128 128 GLU C C 13 180.083 0.0 . 1 . . . . . . . . 5599 1 1100 . 1 1 128 128 GLU CB C 13 30.401 0.013 . 1 . . . . . . . . 5599 1 1101 . 1 1 128 128 GLU HB2 H 1 2.266 0.012 . 1 . . . . . . . . 5599 1 1102 . 1 1 128 128 GLU CG C 13 36.93 0.029 . 1 . . . . . . . . 5599 1 1103 . 1 1 128 128 GLU HG2 H 1 2.518 0.0050 . 1 . . . . . . . . 5599 1 1104 . 1 1 129 129 GLY H H 1 7.976 0.0040 . 1 . . . . . . . . 5599 1 1105 . 1 1 129 129 GLY N N 15 107.798 0.024 . 1 . . . . . . . . 5599 1 1106 . 1 1 129 129 GLY CA C 13 47.765 0.127 . 1 . . . . . . . . 5599 1 1107 . 1 1 129 129 GLY HA2 H 1 3.883 0.0040 . 1 . . . . . . . . 5599 1 1108 . 1 1 129 129 GLY C C 13 176.051 0.0 . 1 . . . . . . . . 5599 1 1109 . 1 1 130 130 MET H H 1 8.753 0.0050 . 1 . . . . . . . . 5599 1 1110 . 1 1 130 130 MET N N 15 120.983 0.015 . 1 . . . . . . . . 5599 1 1111 . 1 1 130 130 MET CA C 13 56.1 0.067 . 1 . . . . . . . . 5599 1 1112 . 1 1 130 130 MET C C 13 179.136 0.0 . 1 . . . . . . . . 5599 1 1113 . 1 1 130 130 MET CB C 13 29.793 0.016 . 1 . . . . . . . . 5599 1 1114 . 1 1 131 131 GLU H H 1 8.673 0.0040 . 1 . . . . . . . . 5599 1 1115 . 1 1 131 131 GLU N N 15 121.032 0.027 . 1 . . . . . . . . 5599 1 1116 . 1 1 131 131 GLU CA C 13 60.702 0.085 . 1 . . . . . . . . 5599 1 1117 . 1 1 131 131 GLU HA H 1 4.037 0.017 . 1 . . . . . . . . 5599 1 1118 . 1 1 131 131 GLU C C 13 180.165 0.0 . 1 . . . . . . . . 5599 1 1119 . 1 1 131 131 GLU CB C 13 29.879 0.115 . 1 . . . . . . . . 5599 1 1120 . 1 1 131 131 GLU HB2 H 1 2.287 0.032 . 1 . . . . . . . . 5599 1 1121 . 1 1 131 131 GLU HB3 H 1 2.045 0.0090 . 1 . . . . . . . . 5599 1 1122 . 1 1 131 131 GLU CG C 13 37.772 0.139 . 1 . . . . . . . . 5599 1 1123 . 1 1 131 131 GLU HG2 H 1 2.648 0.0090 . 1 . . . . . . . . 5599 1 1124 . 1 1 131 131 GLU HG3 H 1 2.175 0.0060 . 1 . . . . . . . . 5599 1 1125 . 1 1 132 132 LEU H H 1 7.598 0.0040 . 1 . . . . . . . . 5599 1 1126 . 1 1 132 132 LEU N N 15 121.986 0.045 . 1 . . . . . . . . 5599 1 1127 . 1 1 132 132 LEU CA C 13 58.482 0.087 . 1 . . . . . . . . 5599 1 1128 . 1 1 132 132 LEU HA H 1 3.313 0.0080 . 1 . . . . . . . . 5599 1 1129 . 1 1 132 132 LEU C C 13 180.014 0.0 . 1 . . . . . . . . 5599 1 1130 . 1 1 132 132 LEU CB C 13 41.587 0.496 . 1 . . . . . . . . 5599 1 1131 . 1 1 132 132 LEU HB2 H 1 1.006 0.0050 . 1 . . . . . . . . 5599 1 1132 . 1 1 132 132 LEU HB3 H 1 1.712 0.0060 . 1 . . . . . . . . 5599 1 1133 . 1 1 132 132 LEU CG C 13 27.011 0.166 . 1 . . . . . . . . 5599 1 1134 . 1 1 132 132 LEU CD1 C 13 19.983 0.014 . 1 . . . . . . . . 5599 1 1135 . 1 1 132 132 LEU HD11 H 1 -0.291 0.0030 . 1 . . . . . . . . 5599 1 1136 . 1 1 132 132 LEU HD12 H 1 -0.291 0.0030 . 1 . . . . . . . . 5599 1 1137 . 1 1 132 132 LEU HD13 H 1 -0.291 0.0030 . 1 . . . . . . . . 5599 1 1138 . 1 1 132 132 LEU CD2 C 13 26.458 0.064 . 1 . . . . . . . . 5599 1 1139 . 1 1 132 132 LEU HD21 H 1 0.646 0.0030 . 1 . . . . . . . . 5599 1 1140 . 1 1 132 132 LEU HD22 H 1 0.646 0.0030 . 1 . . . . . . . . 5599 1 1141 . 1 1 132 132 LEU HD23 H 1 0.646 0.0030 . 1 . . . . . . . . 5599 1 1142 . 1 1 132 132 LEU HG H 1 1.131 0.0060 . 1 . . . . . . . . 5599 1 1143 . 1 1 133 133 ILE H H 1 7.865 0.0080 . 1 . . . . . . . . 5599 1 1144 . 1 1 133 133 ILE N N 15 122.087 0.078 . 1 . . . . . . . . 5599 1 1145 . 1 1 133 133 ILE CA C 13 67.324 0.076 . 1 . . . . . . . . 5599 1 1146 . 1 1 133 133 ILE HA H 1 3.397 0.012 . 1 . . . . . . . . 5599 1 1147 . 1 1 133 133 ILE C C 13 178.137 0.0 . 1 . . . . . . . . 5599 1 1148 . 1 1 133 133 ILE CB C 13 38.733 0.143 . 1 . . . . . . . . 5599 1 1149 . 1 1 133 133 ILE HB H 1 2.017 0.011 . 1 . . . . . . . . 5599 1 1150 . 1 1 133 133 ILE CG2 C 13 18.362 0.34 . 1 . . . . . . . . 5599 1 1151 . 1 1 133 133 ILE HG21 H 1 0.454 0.0070 . 1 . . . . . . . . 5599 1 1152 . 1 1 133 133 ILE HG22 H 1 0.454 0.0070 . 1 . . . . . . . . 5599 1 1153 . 1 1 133 133 ILE HG23 H 1 0.454 0.0070 . 1 . . . . . . . . 5599 1 1154 . 1 1 133 133 ILE CG1 C 13 31.616 0.051 . 1 . . . . . . . . 5599 1 1155 . 1 1 133 133 ILE HG12 H 1 1.811 0.0070 . 1 . . . . . . . . 5599 1 1156 . 1 1 133 133 ILE HG13 H 1 0.711 0.0080 . 1 . . . . . . . . 5599 1 1157 . 1 1 133 133 ILE CD1 C 13 12.182 0.078 . 1 . . . . . . . . 5599 1 1158 . 1 1 133 133 ILE HD11 H 1 0.093 0.0060 . 1 . . . . . . . . 5599 1 1159 . 1 1 133 133 ILE HD12 H 1 0.093 0.0060 . 1 . . . . . . . . 5599 1 1160 . 1 1 133 133 ILE HD13 H 1 0.093 0.0060 . 1 . . . . . . . . 5599 1 1161 . 1 1 134 134 VAL H H 1 8.703 0.0020 . 1 . . . . . . . . 5599 1 1162 . 1 1 134 134 VAL N N 15 120.681 0.021 . 1 . . . . . . . . 5599 1 1163 . 1 1 134 134 VAL CA C 13 68.41 0.085 . 1 . . . . . . . . 5599 1 1164 . 1 1 134 134 VAL HA H 1 3.48 0.018 . 1 . . . . . . . . 5599 1 1165 . 1 1 134 134 VAL C C 13 177.658 0.0 . 1 . . . . . . . . 5599 1 1166 . 1 1 134 134 VAL CB C 13 32.144 0.079 . 1 . . . . . . . . 5599 1 1167 . 1 1 134 134 VAL HB H 1 2.241 0.012 . 1 . . . . . . . . 5599 1 1168 . 1 1 134 134 VAL CG1 C 13 24.409 0.0 . 1 . . . . . . . . 5599 1 1169 . 1 1 134 134 VAL HG11 H 1 1.145 0.011 . 1 . . . . . . . . 5599 1 1170 . 1 1 134 134 VAL HG12 H 1 1.145 0.011 . 1 . . . . . . . . 5599 1 1171 . 1 1 134 134 VAL HG13 H 1 1.145 0.011 . 1 . . . . . . . . 5599 1 1172 . 1 1 134 134 VAL CG2 C 13 22.2 0.0 . 1 . . . . . . . . 5599 1 1173 . 1 1 134 134 VAL HG21 H 1 1.054 0.0070 . 1 . . . . . . . . 5599 1 1174 . 1 1 134 134 VAL HG22 H 1 1.054 0.0070 . 1 . . . . . . . . 5599 1 1175 . 1 1 134 134 VAL HG23 H 1 1.054 0.0070 . 1 . . . . . . . . 5599 1 1176 . 1 1 135 135 SER H H 1 7.788 0.0040 . 1 . . . . . . . . 5599 1 1177 . 1 1 135 135 SER N N 15 113.688 0.032 . 1 . . . . . . . . 5599 1 1178 . 1 1 135 135 SER CA C 13 62.06 0.064 . 1 . . . . . . . . 5599 1 1179 . 1 1 135 135 SER HA H 1 4.206 0.0 . 1 . . . . . . . . 5599 1 1180 . 1 1 135 135 SER C C 13 174.943 0.0 . 1 . . . . . . . . 5599 1 1181 . 1 1 135 135 SER CB C 13 63.578 0.137 . 1 . . . . . . . . 5599 1 1182 . 1 1 135 135 SER HB2 H 1 4.089 0.0010 . 1 . . . . . . . . 5599 1 1183 . 1 1 136 136 GLN H H 1 7.42 0.0030 . 1 . . . . . . . . 5599 1 1184 . 1 1 136 136 GLN N N 15 118.181 0.03 . 1 . . . . . . . . 5599 1 1185 . 1 1 136 136 GLN CA C 13 57.983 0.075 . 1 . . . . . . . . 5599 1 1186 . 1 1 136 136 GLN HA H 1 4.346 0.0070 . 1 . . . . . . . . 5599 1 1187 . 1 1 136 136 GLN C C 13 177.353 0.0 . 1 . . . . . . . . 5599 1 1188 . 1 1 136 136 GLN CB C 13 30.238 0.056 . 1 . . . . . . . . 5599 1 1189 . 1 1 136 136 GLN HB2 H 1 2.158 0.0080 . 1 . . . . . . . . 5599 1 1190 . 1 1 136 136 GLN CG C 13 34.4 0.0 . 1 . . . . . . . . 5599 1 1191 . 1 1 136 136 GLN HG2 H 1 2.416 0.0060 . 1 . . . . . . . . 5599 1 1192 . 1 1 137 137 VAL H H 1 7.98 0.0040 . 1 . . . . . . . . 5599 1 1193 . 1 1 137 137 VAL N N 15 117.211 0.035 . 1 . . . . . . . . 5599 1 1194 . 1 1 137 137 VAL CA C 13 64.526 0.059 . 1 . . . . . . . . 5599 1 1195 . 1 1 137 137 VAL HA H 1 4.088 0.014 . 1 . . . . . . . . 5599 1 1196 . 1 1 137 137 VAL C C 13 175.549 0.022 . 1 . . . . . . . . 5599 1 1197 . 1 1 137 137 VAL CB C 13 34.027 0.082 . 1 . . . . . . . . 5599 1 1198 . 1 1 137 137 VAL HB H 1 1.898 0.013 . 1 . . . . . . . . 5599 1 1199 . 1 1 137 137 VAL CG1 C 13 22.83 0.071 . 1 . . . . . . . . 5599 1 1200 . 1 1 137 137 VAL HG11 H 1 1.049 0.012 . 1 . . . . . . . . 5599 1 1201 . 1 1 137 137 VAL HG12 H 1 1.049 0.012 . 1 . . . . . . . . 5599 1 1202 . 1 1 137 137 VAL HG13 H 1 1.049 0.012 . 1 . . . . . . . . 5599 1 1203 . 1 1 137 137 VAL CG2 C 13 22.585 0.086 . 1 . . . . . . . . 5599 1 1204 . 1 1 137 137 VAL HG21 H 1 0.832 0.0090 . 1 . . . . . . . . 5599 1 1205 . 1 1 137 137 VAL HG22 H 1 0.832 0.0090 . 1 . . . . . . . . 5599 1 1206 . 1 1 137 137 VAL HG23 H 1 0.832 0.0090 . 1 . . . . . . . . 5599 1 1207 . 1 1 138 138 HIS H H 1 8.577 0.0060 . 1 . . . . . . . . 5599 1 1208 . 1 1 138 138 HIS N N 15 118.963 0.033 . 1 . . . . . . . . 5599 1 1209 . 1 1 138 138 HIS CA C 13 54.563 0.047 . 1 . . . . . . . . 5599 1 1210 . 1 1 138 138 HIS HA H 1 5.205 0.018 . 1 . . . . . . . . 5599 1 1211 . 1 1 138 138 HIS C C 13 172.261 0.0 . 1 . . . . . . . . 5599 1 1212 . 1 1 138 138 HIS CB C 13 31.044 0.064 . 1 . . . . . . . . 5599 1 1213 . 1 1 138 138 HIS HB2 H 1 3.212 0.016 . 1 . . . . . . . . 5599 1 1214 . 1 1 138 138 HIS HB3 H 1 2.943 0.0060 . 1 . . . . . . . . 5599 1 1215 . 1 1 139 139 PRO CA C 13 65.077 0.06 . 1 . . . . . . . . 5599 1 1216 . 1 1 139 139 PRO HA H 1 4.486 0.015 . 1 . . . . . . . . 5599 1 1217 . 1 1 139 139 PRO C C 13 177.457 0.0 . 1 . . . . . . . . 5599 1 1218 . 1 1 139 139 PRO CB C 13 32.488 0.087 . 1 . . . . . . . . 5599 1 1219 . 1 1 139 139 PRO HB2 H 1 2.533 0.015 . 1 . . . . . . . . 5599 1 1220 . 1 1 139 139 PRO CG C 13 27.766 0.168 . 1 . . . . . . . . 5599 1 1221 . 1 1 139 139 PRO HG2 H 1 2.063 0.017 . 1 . . . . . . . . 5599 1 1222 . 1 1 139 139 PRO CD C 13 50.952 0.021 . 1 . . . . . . . . 5599 1 1223 . 1 1 139 139 PRO HD2 H 1 3.349 0.0020 . 1 . . . . . . . . 5599 1 1224 . 1 1 139 139 PRO HD3 H 1 3.709 0.012 . 1 . . . . . . . . 5599 1 1225 . 1 1 140 140 GLU H H 1 9.137 0.0040 . 1 . . . . . . . . 5599 1 1226 . 1 1 140 140 GLU N N 15 120.455 0.037 . 1 . . . . . . . . 5599 1 1227 . 1 1 140 140 GLU CA C 13 57.638 0.064 . 1 . . . . . . . . 5599 1 1228 . 1 1 140 140 GLU HA H 1 4.368 0.0050 . 1 . . . . . . . . 5599 1 1229 . 1 1 140 140 GLU C C 13 176.657 0.0 . 1 . . . . . . . . 5599 1 1230 . 1 1 140 140 GLU CB C 13 29.506 0.032 . 1 . . . . . . . . 5599 1 1231 . 1 1 140 140 GLU HB2 H 1 2.066 0.0060 . 1 . . . . . . . . 5599 1 1232 . 1 1 140 140 GLU HB3 H 1 2.164 0.0060 . 1 . . . . . . . . 5599 1 1233 . 1 1 140 140 GLU CG C 13 36.3 0.0 . 1 . . . . . . . . 5599 1 1234 . 1 1 140 140 GLU HG2 H 1 2.434 0.01 . 1 . . . . . . . . 5599 1 1235 . 1 1 140 140 GLU HG3 H 1 2.392 0.0080 . 1 . . . . . . . . 5599 1 1236 . 1 1 141 141 THR H H 1 7.922 0.0020 . 1 . . . . . . . . 5599 1 1237 . 1 1 141 141 THR N N 15 118.229 0.048 . 1 . . . . . . . . 5599 1 1238 . 1 1 141 141 THR CA C 13 63.717 0.102 . 1 . . . . . . . . 5599 1 1239 . 1 1 141 141 THR HA H 1 4.216 0.0070 . 1 . . . . . . . . 5599 1 1240 . 1 1 141 141 THR C C 13 174.368 0.0 . 1 . . . . . . . . 5599 1 1241 . 1 1 141 141 THR CB C 13 70.131 0.108 . 1 . . . . . . . . 5599 1 1242 . 1 1 141 141 THR HB H 1 4.156 0.013 . 1 . . . . . . . . 5599 1 1243 . 1 1 141 141 THR CG2 C 13 22.242 0.0 . 1 . . . . . . . . 5599 1 1244 . 1 1 141 141 THR HG21 H 1 1.254 0.0090 . 1 . . . . . . . . 5599 1 1245 . 1 1 141 141 THR HG22 H 1 1.254 0.0090 . 1 . . . . . . . . 5599 1 1246 . 1 1 141 141 THR HG23 H 1 1.254 0.0090 . 1 . . . . . . . . 5599 1 1247 . 1 1 142 142 LYS H H 1 8.307 0.0040 . 1 . . . . . . . . 5599 1 1248 . 1 1 142 142 LYS N N 15 126.442 0.067 . 1 . . . . . . . . 5599 1 1249 . 1 1 142 142 LYS CA C 13 56.512 0.122 . 1 . . . . . . . . 5599 1 1250 . 1 1 142 142 LYS HA H 1 4.435 0.014 . 1 . . . . . . . . 5599 1 1251 . 1 1 142 142 LYS C C 13 176.41 0.0 . 1 . . . . . . . . 5599 1 1252 . 1 1 142 142 LYS CB C 13 33.636 0.082 . 1 . . . . . . . . 5599 1 1253 . 1 1 142 142 LYS HB2 H 1 1.913 0.01 . 1 . . . . . . . . 5599 1 1254 . 1 1 142 142 LYS HB3 H 1 1.815 0.011 . 1 . . . . . . . . 5599 1 1255 . 1 1 142 142 LYS CG C 13 25.056 0.058 . 1 . . . . . . . . 5599 1 1256 . 1 1 142 142 LYS HG2 H 1 1.498 0.013 . 1 . . . . . . . . 5599 1 1257 . 1 1 142 142 LYS CD C 13 29.3 0.0 . 1 . . . . . . . . 5599 1 1258 . 1 1 142 142 LYS HD2 H 1 1.729 0.016 . 1 . . . . . . . . 5599 1 1259 . 1 1 142 142 LYS CE C 13 42.469 0.098 . 1 . . . . . . . . 5599 1 1260 . 1 1 142 142 LYS HE2 H 1 3.047 0.01 . 1 . . . . . . . . 5599 1 1261 . 1 1 143 143 GLU H H 1 8.387 0.0060 . 1 . . . . . . . . 5599 1 1262 . 1 1 143 143 GLU N N 15 122.59 0.024 . 1 . . . . . . . . 5599 1 1263 . 1 1 143 143 GLU CA C 13 57.282 0.074 . 1 . . . . . . . . 5599 1 1264 . 1 1 143 143 GLU HA H 1 4.321 0.0040 . 1 . . . . . . . . 5599 1 1265 . 1 1 143 143 GLU C C 13 176.201 0.0 . 1 . . . . . . . . 5599 1 1266 . 1 1 143 143 GLU CB C 13 30.808 0.033 . 1 . . . . . . . . 5599 1 1267 . 1 1 143 143 GLU HB2 H 1 2.095 0.042 . 1 . . . . . . . . 5599 1 1268 . 1 1 143 143 GLU HB3 H 1 1.994 0.0040 . 1 . . . . . . . . 5599 1 1269 . 1 1 143 143 GLU CG C 13 36.784 0.036 . 1 . . . . . . . . 5599 1 1270 . 1 1 143 143 GLU HG2 H 1 2.313 0.015 . 1 . . . . . . . . 5599 1 1271 . 1 1 144 144 ASN H H 1 8.369 0.0040 . 1 . . . . . . . . 5599 1 1272 . 1 1 144 144 ASN N N 15 120.505 0.025 . 1 . . . . . . . . 5599 1 1273 . 1 1 144 144 ASN CA C 13 53.772 0.082 . 1 . . . . . . . . 5599 1 1274 . 1 1 144 144 ASN HA H 1 4.739 0.015 . 1 . . . . . . . . 5599 1 1275 . 1 1 144 144 ASN C C 13 175.021 0.0 . 1 . . . . . . . . 5599 1 1276 . 1 1 144 144 ASN CB C 13 39.292 0.113 . 1 . . . . . . . . 5599 1 1277 . 1 1 144 144 ASN HB2 H 1 2.87 0.0080 . 1 . . . . . . . . 5599 1 1278 . 1 1 144 144 ASN HB3 H 1 2.807 0.011 . 1 . . . . . . . . 5599 1 1279 . 1 1 145 145 GLU H H 1 8.332 0.0030 . 1 . . . . . . . . 5599 1 1280 . 1 1 145 145 GLU N N 15 122.918 0.019 . 1 . . . . . . . . 5599 1 1281 . 1 1 145 145 GLU CA C 13 57.249 0.164 . 1 . . . . . . . . 5599 1 1282 . 1 1 145 145 GLU HA H 1 4.382 0.011 . 1 . . . . . . . . 5599 1 1283 . 1 1 145 145 GLU C C 13 176.191 0.0 . 1 . . . . . . . . 5599 1 1284 . 1 1 145 145 GLU CB C 13 31.077 0.169 . 1 . . . . . . . . 5599 1 1285 . 1 1 145 145 GLU HB2 H 1 2.128 0.014 . 1 . . . . . . . . 5599 1 1286 . 1 1 145 145 GLU HB3 H 1 1.957 0.018 . 1 . . . . . . . . 5599 1 1287 . 1 1 145 145 GLU CG C 13 36.8 0.0 . 1 . . . . . . . . 5599 1 1288 . 1 1 145 145 GLU HG2 H 1 2.376 0.0040 . 1 . . . . . . . . 5599 1 1289 . 1 1 145 145 GLU HG3 H 1 2.275 0.0050 . 1 . . . . . . . . 5599 1 1290 . 1 1 146 146 ILE H H 1 8.021 0.0030 . 1 . . . . . . . . 5599 1 1291 . 1 1 146 146 ILE N N 15 122.692 0.023 . 1 . . . . . . . . 5599 1 1292 . 1 1 146 146 ILE CA C 13 61.433 0.08 . 1 . . . . . . . . 5599 1 1293 . 1 1 146 146 ILE HA H 1 4.161 0.016 . 1 . . . . . . . . 5599 1 1294 . 1 1 146 146 ILE C C 13 174.933 0.0050 . 1 . . . . . . . . 5599 1 1295 . 1 1 146 146 ILE CB C 13 39.298 0.079 . 1 . . . . . . . . 5599 1 1296 . 1 1 146 146 ILE HB H 1 1.845 0.011 . 1 . . . . . . . . 5599 1 1297 . 1 1 146 146 ILE CG2 C 13 17.981 0.04 . 1 . . . . . . . . 5599 1 1298 . 1 1 146 146 ILE HG21 H 1 1.176 0.01 . 1 . . . . . . . . 5599 1 1299 . 1 1 146 146 ILE HG22 H 1 1.176 0.01 . 1 . . . . . . . . 5599 1 1300 . 1 1 146 146 ILE HG23 H 1 1.176 0.01 . 1 . . . . . . . . 5599 1 1301 . 1 1 146 146 ILE CG1 C 13 27.561 0.051 . 1 . . . . . . . . 5599 1 1302 . 1 1 146 146 ILE HG12 H 1 1.441 0.011 . 1 . . . . . . . . 5599 1 1303 . 1 1 146 146 ILE HG13 H 1 0.847 0.0060 . 1 . . . . . . . . 5599 1 1304 . 1 1 146 146 ILE CD1 C 13 13.208 0.05 . 1 . . . . . . . . 5599 1 1305 . 1 1 146 146 ILE HD11 H 1 0.846 0.0070 . 1 . . . . . . . . 5599 1 1306 . 1 1 146 146 ILE HD12 H 1 0.846 0.0070 . 1 . . . . . . . . 5599 1 1307 . 1 1 146 146 ILE HD13 H 1 0.846 0.0070 . 1 . . . . . . . . 5599 1 1308 . 1 1 147 147 TYR H H 1 7.379 0.0040 . 1 . . . . . . . . 5599 1 1309 . 1 1 147 147 TYR N N 15 123.706 0.03 . 1 . . . . . . . . 5599 1 1310 . 1 1 147 147 TYR CA C 13 55.243 0.0010 . 1 . . . . . . . . 5599 1 1311 . 1 1 147 147 TYR HA H 1 4.997 0.025 . 1 . . . . . . . . 5599 1 1312 . 1 1 147 147 TYR C C 13 172.838 0.0 . 1 . . . . . . . . 5599 1 1313 . 1 1 147 147 TYR CB C 13 38.627 0.12 . 1 . . . . . . . . 5599 1 1314 . 1 1 147 147 TYR HB2 H 1 3.147 0.014 . 1 . . . . . . . . 5599 1 1315 . 1 1 148 148 PRO CA C 13 62.963 0.107 . 1 . . . . . . . . 5599 1 1316 . 1 1 148 148 PRO HA H 1 4.615 0.0090 . 1 . . . . . . . . 5599 1 1317 . 1 1 148 148 PRO C C 13 177.675 0.0 . 1 . . . . . . . . 5599 1 1318 . 1 1 148 148 PRO CB C 13 31.91 0.101 . 1 . . . . . . . . 5599 1 1319 . 1 1 148 148 PRO HB2 H 1 2.406 0.0090 . 1 . . . . . . . . 5599 1 1320 . 1 1 148 148 PRO HB3 H 1 2.046 0.0060 . 1 . . . . . . . . 5599 1 1321 . 1 1 148 148 PRO CG C 13 28.497 0.055 . 1 . . . . . . . . 5599 1 1322 . 1 1 148 148 PRO HG2 H 1 2.171 0.0070 . 1 . . . . . . . . 5599 1 1323 . 1 1 148 148 PRO CD C 13 51.196 0.092 . 1 . . . . . . . . 5599 1 1324 . 1 1 148 148 PRO HD2 H 1 4.072 0.0090 . 1 . . . . . . . . 5599 1 1325 . 1 1 148 148 PRO HD3 H 1 3.642 0.01 . 1 . . . . . . . . 5599 1 1326 . 1 1 149 149 VAL H H 1 8.875 0.0040 . 1 . . . . . . . . 5599 1 1327 . 1 1 149 149 VAL N N 15 129.582 0.045 . 1 . . . . . . . . 5599 1 1328 . 1 1 149 149 VAL CA C 13 60.499 0.044 . 1 . . . . . . . . 5599 1 1329 . 1 1 149 149 VAL HA H 1 4.383 0.0 . 1 . . . . . . . . 5599 1 1330 . 1 1 149 149 VAL C C 13 178.047 0.0 . 1 . . . . . . . . 5599 1 1331 . 1 1 149 149 VAL CB C 13 30.014 0.0 . 1 . . . . . . . . 5599 1 1332 . 1 1 151 151 SER C C 13 177.37 0.0 . 1 . . . . . . . . 5599 1 1333 . 1 1 152 152 GLY H H 1 7.886 0.0050 . 1 . . . . . . . . 5599 1 1334 . 1 1 152 152 GLY N N 15 116.451 0.049 . 1 . . . . . . . . 5599 1 1335 . 1 1 152 152 GLY CA C 13 46.597 0.047 . 1 . . . . . . . . 5599 1 1336 . 1 1 152 152 GLY C C 13 174.651 0.0 . 1 . . . . . . . . 5599 1 1337 . 1 1 153 153 LEU H H 1 7.651 0.0050 . 1 . . . . . . . . 5599 1 1338 . 1 1 153 153 LEU N N 15 119.109 0.078 . 1 . . . . . . . . 5599 1 1339 . 1 1 153 153 LEU CA C 13 57.867 0.049 . 1 . . . . . . . . 5599 1 1340 . 1 1 153 153 LEU C C 13 175.985 0.0 . 1 . . . . . . . . 5599 1 1341 . 1 1 153 153 LEU CB C 13 39.01 0.0 . 1 . . . . . . . . 5599 1 1342 . 1 1 156 156 LEU CA C 13 56.983 0.0080 . 1 . . . . . . . . 5599 1 1343 . 1 1 156 156 LEU C C 13 177.897 0.0 . 1 . . . . . . . . 5599 1 1344 . 1 1 157 157 GLN H H 1 7.238 0.015 . 1 . . . . . . . . 5599 1 1345 . 1 1 157 157 GLN N N 15 115.104 0.0060 . 1 . . . . . . . . 5599 1 1346 . 1 1 157 157 GLN CA C 13 55.704 0.064 . 1 . . . . . . . . 5599 1 1347 . 1 1 157 157 GLN HA H 1 4.334 0.0010 . 1 . . . . . . . . 5599 1 1348 . 1 1 157 157 GLN C C 13 176.019 0.0 . 1 . . . . . . . . 5599 1 1349 . 1 1 157 157 GLN HB2 H 1 2.255 0.0 . 1 . . . . . . . . 5599 1 1350 . 1 1 157 157 GLN HB3 H 1 2.218 0.0 . 1 . . . . . . . . 5599 1 1351 . 1 1 157 157 GLN HG2 H 1 2.411 0.0 . 1 . . . . . . . . 5599 1 1352 . 1 1 158 158 MET H H 1 6.96 0.0070 . 1 . . . . . . . . 5599 1 1353 . 1 1 158 158 MET N N 15 120.517 0.053 . 1 . . . . . . . . 5599 1 1354 . 1 1 158 158 MET CA C 13 56.649 0.093 . 1 . . . . . . . . 5599 1 1355 . 1 1 158 158 MET HA H 1 4.346 0.017 . 1 . . . . . . . . 5599 1 1356 . 1 1 158 158 MET C C 13 175.688 0.0 . 1 . . . . . . . . 5599 1 1357 . 1 1 158 158 MET CB C 13 33.868 0.086 . 1 . . . . . . . . 5599 1 1358 . 1 1 158 158 MET HB2 H 1 2.188 0.01 . 1 . . . . . . . . 5599 1 1359 . 1 1 158 158 MET HB3 H 1 2.042 0.013 . 1 . . . . . . . . 5599 1 1360 . 1 1 158 158 MET CG C 13 32.9 0.0 . 1 . . . . . . . . 5599 1 1361 . 1 1 158 158 MET HG2 H 1 2.851 0.01 . 1 . . . . . . . . 5599 1 1362 . 1 1 158 158 MET HG3 H 1 2.788 0.012 . 1 . . . . . . . . 5599 1 1363 . 1 1 159 159 ALA H H 1 8.294 0.0060 . 1 . . . . . . . . 5599 1 1364 . 1 1 159 159 ALA N N 15 124.553 0.077 . 1 . . . . . . . . 5599 1 1365 . 1 1 159 159 ALA CA C 13 54.409 0.081 . 1 . . . . . . . . 5599 1 1366 . 1 1 159 159 ALA HA H 1 4.209 0.013 . 1 . . . . . . . . 5599 1 1367 . 1 1 159 159 ALA C C 13 178.393 0.0 . 1 . . . . . . . . 5599 1 1368 . 1 1 159 159 ALA CB C 13 19.534 0.166 . 1 . . . . . . . . 5599 1 1369 . 1 1 159 159 ALA HB1 H 1 1.515 0.0050 . 1 . . . . . . . . 5599 1 1370 . 1 1 159 159 ALA HB2 H 1 1.515 0.0050 . 1 . . . . . . . . 5599 1 1371 . 1 1 159 159 ALA HB3 H 1 1.515 0.0050 . 1 . . . . . . . . 5599 1 1372 . 1 1 160 160 ASP H H 1 7.826 0.0020 . 1 . . . . . . . . 5599 1 1373 . 1 1 160 160 ASP N N 15 118.458 0.022 . 1 . . . . . . . . 5599 1 1374 . 1 1 160 160 ASP CA C 13 54.487 0.087 . 1 . . . . . . . . 5599 1 1375 . 1 1 160 160 ASP HA H 1 4.658 0.0060 . 1 . . . . . . . . 5599 1 1376 . 1 1 160 160 ASP C C 13 175.649 0.0 . 1 . . . . . . . . 5599 1 1377 . 1 1 160 160 ASP CB C 13 42.836 0.09 . 1 . . . . . . . . 5599 1 1378 . 1 1 160 160 ASP HB2 H 1 2.853 0.01 . 1 . . . . . . . . 5599 1 1379 . 1 1 160 160 ASP HB3 H 1 2.686 0.0080 . 1 . . . . . . . . 5599 1 1380 . 1 1 161 161 GLU H H 1 8.751 0.0080 . 1 . . . . . . . . 5599 1 1381 . 1 1 161 161 GLU N N 15 128.136 0.012 . 1 . . . . . . . . 5599 1 1382 . 1 1 161 161 GLU CA C 13 61.105 0.06 . 1 . . . . . . . . 5599 1 1383 . 1 1 161 161 GLU C C 13 177.685 0.0 . 1 . . . . . . . . 5599 1 1384 . 1 1 161 161 GLU CB C 13 32.529 1.493 . 1 . . . . . . . . 5599 1 1385 . 1 1 162 162 GLU H H 1 8.569 0.0040 . 1 . . . . . . . . 5599 1 1386 . 1 1 162 162 GLU N N 15 119.219 0.023 . 1 . . . . . . . . 5599 1 1387 . 1 1 162 162 GLU CA C 13 60.849 0.131 . 1 . . . . . . . . 5599 1 1388 . 1 1 162 162 GLU HA H 1 3.824 0.011 . 1 . . . . . . . . 5599 1 1389 . 1 1 162 162 GLU C C 13 179.513 0.012 . 1 . . . . . . . . 5599 1 1390 . 1 1 162 162 GLU CB C 13 29.784 0.075 . 1 . . . . . . . . 5599 1 1391 . 1 1 162 162 GLU HB2 H 1 1.954 0.011 . 1 . . . . . . . . 5599 1 1392 . 1 1 162 162 GLU CG C 13 37.0 0.0 . 1 . . . . . . . . 5599 1 1393 . 1 1 162 162 GLU HG2 H 1 2.11 0.01 . 1 . . . . . . . . 5599 1 1394 . 1 1 162 162 GLU HG3 H 1 2.265 0.013 . 1 . . . . . . . . 5599 1 1395 . 1 1 163 163 SER H H 1 8.015 0.0040 . 1 . . . . . . . . 5599 1 1396 . 1 1 163 163 SER N N 15 117.133 0.072 . 1 . . . . . . . . 5599 1 1397 . 1 1 163 163 SER CA C 13 62.618 0.192 . 1 . . . . . . . . 5599 1 1398 . 1 1 163 163 SER HA H 1 4.245 0.0040 . 1 . . . . . . . . 5599 1 1399 . 1 1 163 163 SER C C 13 176.982 0.0 . 1 . . . . . . . . 5599 1 1400 . 1 1 163 163 SER CB C 13 62.318 1.792 . 1 . . . . . . . . 5599 1 1401 . 1 1 163 163 SER HB2 H 1 4.068 0.0070 . 1 . . . . . . . . 5599 1 1402 . 1 1 164 164 ARG H H 1 8.332 0.0030 . 1 . . . . . . . . 5599 1 1403 . 1 1 164 164 ARG N N 15 125.556 0.012 . 1 . . . . . . . . 5599 1 1404 . 1 1 164 164 ARG CA C 13 60.409 0.082 . 1 . . . . . . . . 5599 1 1405 . 1 1 164 164 ARG HA H 1 4.328 0.0030 . 1 . . . . . . . . 5599 1 1406 . 1 1 164 164 ARG C C 13 178.528 0.0 . 1 . . . . . . . . 5599 1 1407 . 1 1 164 164 ARG CB C 13 31.267 0.044 . 1 . . . . . . . . 5599 1 1408 . 1 1 164 164 ARG HB2 H 1 2.126 0.0070 . 1 . . . . . . . . 5599 1 1409 . 1 1 164 164 ARG HB3 H 1 1.96 0.0090 . 1 . . . . . . . . 5599 1 1410 . 1 1 164 164 ARG CG C 13 28.862 0.059 . 1 . . . . . . . . 5599 1 1411 . 1 1 164 164 ARG HG2 H 1 1.608 0.0030 . 1 . . . . . . . . 5599 1 1412 . 1 1 164 164 ARG CD C 13 44.342 0.075 . 1 . . . . . . . . 5599 1 1413 . 1 1 164 164 ARG HD2 H 1 3.541 0.026 . 1 . . . . . . . . 5599 1 1414 . 1 1 164 164 ARG HD3 H 1 3.49 0.01 . 1 . . . . . . . . 5599 1 1415 . 1 1 165 165 LEU H H 1 8.817 0.0070 . 1 . . . . . . . . 5599 1 1416 . 1 1 165 165 LEU N N 15 118.904 0.0090 . 1 . . . . . . . . 5599 1 1417 . 1 1 165 165 LEU CA C 13 59.08 0.082 . 1 . . . . . . . . 5599 1 1418 . 1 1 165 165 LEU HA H 1 4.348 0.034 . 1 . . . . . . . . 5599 1 1419 . 1 1 165 165 LEU C C 13 179.926 0.0 . 1 . . . . . . . . 5599 1 1420 . 1 1 165 165 LEU CB C 13 42.182 0.125 . 1 . . . . . . . . 5599 1 1421 . 1 1 165 165 LEU HB2 H 1 2.161 0.0090 . 1 . . . . . . . . 5599 1 1422 . 1 1 165 165 LEU HB3 H 1 1.47 0.0050 . 1 . . . . . . . . 5599 1 1423 . 1 1 165 165 LEU CG C 13 27.556 0.069 . 1 . . . . . . . . 5599 1 1424 . 1 1 165 165 LEU CD1 C 13 26.59 0.178 . 1 . . . . . . . . 5599 1 1425 . 1 1 165 165 LEU HD11 H 1 1.024 0.014 . 1 . . . . . . . . 5599 1 1426 . 1 1 165 165 LEU HD12 H 1 1.024 0.014 . 1 . . . . . . . . 5599 1 1427 . 1 1 165 165 LEU HD13 H 1 1.024 0.014 . 1 . . . . . . . . 5599 1 1428 . 1 1 165 165 LEU CD2 C 13 22.764 0.065 . 1 . . . . . . . . 5599 1 1429 . 1 1 165 165 LEU HD21 H 1 0.755 0.016 . 1 . . . . . . . . 5599 1 1430 . 1 1 165 165 LEU HD22 H 1 0.755 0.016 . 1 . . . . . . . . 5599 1 1431 . 1 1 165 165 LEU HD23 H 1 0.755 0.016 . 1 . . . . . . . . 5599 1 1432 . 1 1 165 165 LEU HG H 1 2.048 0.018 . 1 . . . . . . . . 5599 1 1433 . 1 1 166 166 SER H H 1 7.998 0.0060 . 1 . . . . . . . . 5599 1 1434 . 1 1 166 166 SER N N 15 115.023 0.099 . 1 . . . . . . . . 5599 1 1435 . 1 1 166 166 SER CA C 13 62.45 0.102 . 1 . . . . . . . . 5599 1 1436 . 1 1 166 166 SER HA H 1 4.156 0.012 . 1 . . . . . . . . 5599 1 1437 . 1 1 166 166 SER C C 13 176.226 0.0 . 1 . . . . . . . . 5599 1 1438 . 1 1 166 166 SER CB C 13 63.489 0.049 . 1 . . . . . . . . 5599 1 1439 . 1 1 166 166 SER HB2 H 1 4.038 0.0020 . 1 . . . . . . . . 5599 1 1440 . 1 1 167 167 ALA H H 1 7.845 0.0040 . 1 . . . . . . . . 5599 1 1441 . 1 1 167 167 ALA N N 15 126.235 0.016 . 1 . . . . . . . . 5599 1 1442 . 1 1 167 167 ALA CA C 13 55.957 0.083 . 1 . . . . . . . . 5599 1 1443 . 1 1 167 167 ALA HA H 1 4.371 0.011 . 1 . . . . . . . . 5599 1 1444 . 1 1 167 167 ALA C C 13 181.847 0.0 . 1 . . . . . . . . 5599 1 1445 . 1 1 167 167 ALA CB C 13 19.04 0.118 . 1 . . . . . . . . 5599 1 1446 . 1 1 167 167 ALA HB1 H 1 1.601 0.0090 . 1 . . . . . . . . 5599 1 1447 . 1 1 167 167 ALA HB2 H 1 1.601 0.0090 . 1 . . . . . . . . 5599 1 1448 . 1 1 167 167 ALA HB3 H 1 1.601 0.0090 . 1 . . . . . . . . 5599 1 1449 . 1 1 168 168 TYR H H 1 8.468 0.0030 . 1 . . . . . . . . 5599 1 1450 . 1 1 168 168 TYR N N 15 120.995 0.015 . 1 . . . . . . . . 5599 1 1451 . 1 1 168 168 TYR CA C 13 63.669 0.084 . 1 . . . . . . . . 5599 1 1452 . 1 1 168 168 TYR HA H 1 3.933 0.012 . 1 . . . . . . . . 5599 1 1453 . 1 1 168 168 TYR C C 13 177.225 0.0 . 1 . . . . . . . . 5599 1 1454 . 1 1 168 168 TYR CB C 13 40.477 0.093 . 1 . . . . . . . . 5599 1 1455 . 1 1 168 168 TYR HB2 H 1 3.115 0.014 . 1 . . . . . . . . 5599 1 1456 . 1 1 168 168 TYR HB3 H 1 2.343 0.014 . 1 . . . . . . . . 5599 1 1457 . 1 1 169 169 TYR H H 1 8.718 0.0050 . 1 . . . . . . . . 5599 1 1458 . 1 1 169 169 TYR N N 15 121.218 0.048 . 1 . . . . . . . . 5599 1 1459 . 1 1 169 169 TYR CA C 13 63.299 0.109 . 1 . . . . . . . . 5599 1 1460 . 1 1 169 169 TYR HA H 1 3.819 0.0050 . 1 . . . . . . . . 5599 1 1461 . 1 1 169 169 TYR C C 13 177.312 0.0 . 1 . . . . . . . . 5599 1 1462 . 1 1 169 169 TYR CB C 13 39.672 0.138 . 1 . . . . . . . . 5599 1 1463 . 1 1 169 169 TYR HB2 H 1 3.511 0.013 . 1 . . . . . . . . 5599 1 1464 . 1 1 169 169 TYR HB3 H 1 3.304 0.0050 . 1 . . . . . . . . 5599 1 1465 . 1 1 170 170 ASN H H 1 8.489 0.0050 . 1 . . . . . . . . 5599 1 1466 . 1 1 170 170 ASN N N 15 117.092 0.024 . 1 . . . . . . . . 5599 1 1467 . 1 1 170 170 ASN CA C 13 57.539 0.114 . 1 . . . . . . . . 5599 1 1468 . 1 1 170 170 ASN HA H 1 4.583 0.0080 . 1 . . . . . . . . 5599 1 1469 . 1 1 170 170 ASN C C 13 177.299 0.0 . 1 . . . . . . . . 5599 1 1470 . 1 1 170 170 ASN CB C 13 39.729 0.079 . 1 . . . . . . . . 5599 1 1471 . 1 1 170 170 ASN HB2 H 1 3.105 0.0070 . 1 . . . . . . . . 5599 1 1472 . 1 1 170 170 ASN HB3 H 1 2.918 0.0070 . 1 . . . . . . . . 5599 1 1473 . 1 1 171 171 LEU H H 1 8.039 0.0040 . 1 . . . . . . . . 5599 1 1474 . 1 1 171 171 LEU N N 15 122.801 0.0020 . 1 . . . . . . . . 5599 1 1475 . 1 1 171 171 LEU CA C 13 59.685 0.02 . 1 . . . . . . . . 5599 1 1476 . 1 1 171 171 LEU HA H 1 4.402 0.0070 . 1 . . . . . . . . 5599 1 1477 . 1 1 171 171 LEU C C 13 178.853 0.0 . 1 . . . . . . . . 5599 1 1478 . 1 1 171 171 LEU CB C 13 43.347 0.058 . 1 . . . . . . . . 5599 1 1479 . 1 1 171 171 LEU HB2 H 1 1.901 0.0080 . 1 . . . . . . . . 5599 1 1480 . 1 1 171 171 LEU CG C 13 28.125 0.0 . 1 . . . . . . . . 5599 1 1481 . 1 1 171 171 LEU CD1 C 13 26.8 0.0 . 1 . . . . . . . . 5599 1 1482 . 1 1 171 171 LEU HD11 H 1 0.935 0.011 . 1 . . . . . . . . 5599 1 1483 . 1 1 171 171 LEU HD12 H 1 0.935 0.011 . 1 . . . . . . . . 5599 1 1484 . 1 1 171 171 LEU HD13 H 1 0.935 0.011 . 1 . . . . . . . . 5599 1 1485 . 1 1 171 171 LEU CD2 C 13 26.358 0.0 . 1 . . . . . . . . 5599 1 1486 . 1 1 171 171 LEU HD21 H 1 1.024 0.015 . 1 . . . . . . . . 5599 1 1487 . 1 1 171 171 LEU HD22 H 1 1.024 0.015 . 1 . . . . . . . . 5599 1 1488 . 1 1 171 171 LEU HD23 H 1 1.024 0.015 . 1 . . . . . . . . 5599 1 1489 . 1 1 171 171 LEU HG H 1 1.872 0.0 . 1 . . . . . . . . 5599 1 1490 . 1 1 172 172 LEU H H 1 8.51 0.01 . 1 . . . . . . . . 5599 1 1491 . 1 1 172 172 LEU N N 15 118.945 0.05 . 1 . . . . . . . . 5599 1 1492 . 1 1 172 172 LEU CA C 13 58.454 0.02 . 1 . . . . . . . . 5599 1 1493 . 1 1 172 172 LEU HA H 1 4.123 0.0020 . 1 . . . . . . . . 5599 1 1494 . 1 1 172 172 LEU C C 13 180.046 0.0 . 1 . . . . . . . . 5599 1 1495 . 1 1 172 172 LEU CB C 13 42.046 0.099 . 1 . . . . . . . . 5599 1 1496 . 1 1 172 172 LEU HB2 H 1 1.809 0.0090 . 1 . . . . . . . . 5599 1 1497 . 1 1 172 172 LEU HB3 H 1 1.589 0.0090 . 1 . . . . . . . . 5599 1 1498 . 1 1 172 172 LEU CG C 13 27.164 0.078 . 1 . . . . . . . . 5599 1 1499 . 1 1 172 172 LEU CD1 C 13 21.793 0.03 . 1 . . . . . . . . 5599 1 1500 . 1 1 172 172 LEU HD11 H 1 0.328 0.0060 . 1 . . . . . . . . 5599 1 1501 . 1 1 172 172 LEU HD12 H 1 0.328 0.0060 . 1 . . . . . . . . 5599 1 1502 . 1 1 172 172 LEU HD13 H 1 0.328 0.0060 . 1 . . . . . . . . 5599 1 1503 . 1 1 172 172 LEU CD2 C 13 24.94 0.068 . 1 . . . . . . . . 5599 1 1504 . 1 1 172 172 LEU HD21 H 1 0.801 0.012 . 1 . . . . . . . . 5599 1 1505 . 1 1 172 172 LEU HD22 H 1 0.801 0.012 . 1 . . . . . . . . 5599 1 1506 . 1 1 172 172 LEU HD23 H 1 0.801 0.012 . 1 . . . . . . . . 5599 1 1507 . 1 1 172 172 LEU HG H 1 1.761 0.016 . 1 . . . . . . . . 5599 1 1508 . 1 1 173 173 HIS H H 1 8.943 0.0060 . 1 . . . . . . . . 5599 1 1509 . 1 1 173 173 HIS N N 15 124.309 0.016 . 1 . . . . . . . . 5599 1 1510 . 1 1 173 173 HIS CA C 13 61.085 0.08 . 1 . . . . . . . . 5599 1 1511 . 1 1 173 173 HIS HA H 1 3.568 0.011 . 1 . . . . . . . . 5599 1 1512 . 1 1 173 173 HIS C C 13 178.639 0.0 . 1 . . . . . . . . 5599 1 1513 . 1 1 173 173 HIS CB C 13 30.954 0.076 . 1 . . . . . . . . 5599 1 1514 . 1 1 173 173 HIS HB2 H 1 3.353 0.03 . 1 . . . . . . . . 5599 1 1515 . 1 1 173 173 HIS HB3 H 1 2.945 0.017 . 1 . . . . . . . . 5599 1 1516 . 1 1 174 174 CYS H H 1 8.599 0.0020 . 1 . . . . . . . . 5599 1 1517 . 1 1 174 174 CYS N N 15 120.977 0.025 . 1 . . . . . . . . 5599 1 1518 . 1 1 174 174 CYS CA C 13 59.842 0.098 . 1 . . . . . . . . 5599 1 1519 . 1 1 174 174 CYS HA H 1 4.311 0.0050 . 1 . . . . . . . . 5599 1 1520 . 1 1 174 174 CYS C C 13 175.883 0.0 . 1 . . . . . . . . 5599 1 1521 . 1 1 174 174 CYS CB C 13 39.814 0.17 . 1 . . . . . . . . 5599 1 1522 . 1 1 174 174 CYS HB2 H 1 3.725 0.015 . 1 . . . . . . . . 5599 1 1523 . 1 1 174 174 CYS HB3 H 1 3.476 0.0080 . 1 . . . . . . . . 5599 1 1524 . 1 1 175 175 LEU H H 1 8.634 0.01 . 1 . . . . . . . . 5599 1 1525 . 1 1 175 175 LEU N N 15 124.88 0.011 . 1 . . . . . . . . 5599 1 1526 . 1 1 175 175 LEU CA C 13 58.411 0.016 . 1 . . . . . . . . 5599 1 1527 . 1 1 175 175 LEU C C 13 179.119 0.0 . 1 . . . . . . . . 5599 1 1528 . 1 1 175 175 LEU CB C 13 40.852 0.06 . 1 . . . . . . . . 5599 1 1529 . 1 1 176 176 ARG H H 1 7.834 0.0050 . 1 . . . . . . . . 5599 1 1530 . 1 1 176 176 ARG N N 15 123.217 0.026 . 1 . . . . . . . . 5599 1 1531 . 1 1 176 176 ARG CA C 13 60.315 0.028 . 1 . . . . . . . . 5599 1 1532 . 1 1 176 176 ARG C C 13 177.548 0.0 . 1 . . . . . . . . 5599 1 1533 . 1 1 177 177 ARG H H 1 7.805 0.0090 . 1 . . . . . . . . 5599 1 1534 . 1 1 177 177 ARG N N 15 120.484 0.037 . 1 . . . . . . . . 5599 1 1535 . 1 1 177 177 ARG CA C 13 59.674 0.065 . 1 . . . . . . . . 5599 1 1536 . 1 1 177 177 ARG HA H 1 4.025 0.0010 . 1 . . . . . . . . 5599 1 1537 . 1 1 177 177 ARG C C 13 179.601 0.0 . 1 . . . . . . . . 5599 1 1538 . 1 1 177 177 ARG CB C 13 30.962 0.013 . 1 . . . . . . . . 5599 1 1539 . 1 1 177 177 ARG HB2 H 1 1.838 0.0 . 1 . . . . . . . . 5599 1 1540 . 1 1 177 177 ARG CG C 13 27.235 0.022 . 1 . . . . . . . . 5599 1 1541 . 1 1 177 177 ARG HG2 H 1 1.455 0.0090 . 1 . . . . . . . . 5599 1 1542 . 1 1 177 177 ARG CD C 13 44.0 0.0 . 1 . . . . . . . . 5599 1 1543 . 1 1 177 177 ARG HD2 H 1 3.325 0.01 . 1 . . . . . . . . 5599 1 1544 . 1 1 178 178 ASP H H 1 8.95 0.0060 . 1 . . . . . . . . 5599 1 1545 . 1 1 178 178 ASP N N 15 122.86 0.073 . 1 . . . . . . . . 5599 1 1546 . 1 1 178 178 ASP CA C 13 58.145 0.093 . 1 . . . . . . . . 5599 1 1547 . 1 1 178 178 ASP HA H 1 4.57 0.011 . 1 . . . . . . . . 5599 1 1548 . 1 1 178 178 ASP C C 13 178.592 0.0 . 1 . . . . . . . . 5599 1 1549 . 1 1 178 178 ASP CB C 13 39.319 0.088 . 1 . . . . . . . . 5599 1 1550 . 1 1 178 178 ASP HB2 H 1 2.96 0.0060 . 1 . . . . . . . . 5599 1 1551 . 1 1 179 179 SER H H 1 8.59 0.0040 . 1 . . . . . . . . 5599 1 1552 . 1 1 179 179 SER N N 15 116.899 0.0010 . 1 . . . . . . . . 5599 1 1553 . 1 1 179 179 SER CA C 13 62.837 0.144 . 1 . . . . . . . . 5599 1 1554 . 1 1 179 179 SER HA H 1 3.977 0.013 . 1 . . . . . . . . 5599 1 1555 . 1 1 179 179 SER C C 13 177.408 0.0 . 1 . . . . . . . . 5599 1 1556 . 1 1 179 179 SER CB C 13 62.7 0.0 . 1 . . . . . . . . 5599 1 1557 . 1 1 179 179 SER HB2 H 1 3.697 0.0060 . 1 . . . . . . . . 5599 1 1558 . 1 1 180 180 HIS H H 1 7.7 0.0040 . 1 . . . . . . . . 5599 1 1559 . 1 1 180 180 HIS N N 15 126.442 0.0090 . 1 . . . . . . . . 5599 1 1560 . 1 1 180 180 HIS CA C 13 59.56 0.075 . 1 . . . . . . . . 5599 1 1561 . 1 1 180 180 HIS HA H 1 3.517 0.015 . 1 . . . . . . . . 5599 1 1562 . 1 1 180 180 HIS C C 13 176.87 0.0 . 1 . . . . . . . . 5599 1 1563 . 1 1 180 180 HIS CB C 13 30.663 0.09 . 1 . . . . . . . . 5599 1 1564 . 1 1 180 180 HIS HB2 H 1 2.959 0.0040 . 1 . . . . . . . . 5599 1 1565 . 1 1 180 180 HIS HB3 H 1 3.318 0.016 . 1 . . . . . . . . 5599 1 1566 . 1 1 181 181 LYS H H 1 7.658 0.0060 . 1 . . . . . . . . 5599 1 1567 . 1 1 181 181 LYS N N 15 119.729 0.016 . 1 . . . . . . . . 5599 1 1568 . 1 1 181 181 LYS CA C 13 60.411 0.079 . 1 . . . . . . . . 5599 1 1569 . 1 1 181 181 LYS HA H 1 3.47 0.014 . 1 . . . . . . . . 5599 1 1570 . 1 1 181 181 LYS C C 13 177.039 0.0 . 1 . . . . . . . . 5599 1 1571 . 1 1 181 181 LYS CB C 13 32.577 0.136 . 1 . . . . . . . . 5599 1 1572 . 1 1 181 181 LYS HB2 H 1 1.448 0.0090 . 1 . . . . . . . . 5599 1 1573 . 1 1 181 181 LYS HB3 H 1 1.905 0.0090 . 1 . . . . . . . . 5599 1 1574 . 1 1 181 181 LYS CG C 13 25.91 0.067 . 1 . . . . . . . . 5599 1 1575 . 1 1 181 181 LYS HG2 H 1 1.305 0.013 . 1 . . . . . . . . 5599 1 1576 . 1 1 181 181 LYS HG3 H 1 1.582 0.0080 . 1 . . . . . . . . 5599 1 1577 . 1 1 181 181 LYS HD2 H 1 1.495 0.0 . 1 . . . . . . . . 5599 1 1578 . 1 1 181 181 LYS HE2 H 1 2.977 0.0020 . 1 . . . . . . . . 5599 1 1579 . 1 1 182 182 ILE H H 1 8.034 0.0040 . 1 . . . . . . . . 5599 1 1580 . 1 1 182 182 ILE N N 15 116.555 0.057 . 1 . . . . . . . . 5599 1 1581 . 1 1 182 182 ILE CA C 13 65.879 0.158 . 1 . . . . . . . . 5599 1 1582 . 1 1 182 182 ILE HA H 1 3.438 0.015 . 1 . . . . . . . . 5599 1 1583 . 1 1 182 182 ILE C C 13 176.783 0.0 . 1 . . . . . . . . 5599 1 1584 . 1 1 182 182 ILE CB C 13 37.708 0.322 . 1 . . . . . . . . 5599 1 1585 . 1 1 182 182 ILE HB H 1 1.923 0.02 . 1 . . . . . . . . 5599 1 1586 . 1 1 182 182 ILE CG2 C 13 18.564 0.103 . 1 . . . . . . . . 5599 1 1587 . 1 1 182 182 ILE CG1 C 13 28.655 0.0 . 1 . . . . . . . . 5599 1 1588 . 1 1 182 182 ILE HG12 H 1 1.79 0.0050 . 1 . . . . . . . . 5599 1 1589 . 1 1 182 182 ILE HG13 H 1 0.995 0.0070 . 1 . . . . . . . . 5599 1 1590 . 1 1 182 182 ILE HD11 H 1 0.894 0.0020 . 1 . . . . . . . . 5599 1 1591 . 1 1 182 182 ILE HD12 H 1 0.894 0.0020 . 1 . . . . . . . . 5599 1 1592 . 1 1 182 182 ILE HD13 H 1 0.894 0.0020 . 1 . . . . . . . . 5599 1 1593 . 1 1 183 183 ASP H H 1 7.292 0.0060 . 1 . . . . . . . . 5599 1 1594 . 1 1 183 183 ASP N N 15 119.482 0.03 . 1 . . . . . . . . 5599 1 1595 . 1 1 183 183 ASP CA C 13 58.115 0.085 . 1 . . . . . . . . 5599 1 1596 . 1 1 183 183 ASP HA H 1 4.46 0.0060 . 1 . . . . . . . . 5599 1 1597 . 1 1 183 183 ASP C C 13 177.502 0.0 . 1 . . . . . . . . 5599 1 1598 . 1 1 183 183 ASP CB C 13 42.855 0.126 . 1 . . . . . . . . 5599 1 1599 . 1 1 183 183 ASP HB2 H 1 2.636 0.0090 . 1 . . . . . . . . 5599 1 1600 . 1 1 183 183 ASP HB3 H 1 2.697 0.0070 . 1 . . . . . . . . 5599 1 1601 . 1 1 184 184 ASN H H 1 7.798 0.0060 . 1 . . . . . . . . 5599 1 1602 . 1 1 184 184 ASN N N 15 117.096 0.023 . 1 . . . . . . . . 5599 1 1603 . 1 1 184 184 ASN CA C 13 56.802 0.039 . 1 . . . . . . . . 5599 1 1604 . 1 1 184 184 ASN HA H 1 4.299 0.016 . 1 . . . . . . . . 5599 1 1605 . 1 1 184 184 ASN C C 13 179.012 0.0 . 1 . . . . . . . . 5599 1 1606 . 1 1 184 184 ASN CB C 13 38.703 0.067 . 1 . . . . . . . . 5599 1 1607 . 1 1 184 184 ASN HB2 H 1 2.616 0.014 . 1 . . . . . . . . 5599 1 1608 . 1 1 184 184 ASN HB3 H 1 2.683 0.0060 . 1 . . . . . . . . 5599 1 1609 . 1 1 185 185 TYR H H 1 9.028 0.0030 . 1 . . . . . . . . 5599 1 1610 . 1 1 185 185 TYR N N 15 120.928 0.047 . 1 . . . . . . . . 5599 1 1611 . 1 1 185 185 TYR CA C 13 57.7 0.145 . 1 . . . . . . . . 5599 1 1612 . 1 1 185 185 TYR HA H 1 4.531 0.02 . 1 . . . . . . . . 5599 1 1613 . 1 1 185 185 TYR C C 13 178.393 0.0 . 1 . . . . . . . . 5599 1 1614 . 1 1 185 185 TYR CB C 13 37.754 0.061 . 1 . . . . . . . . 5599 1 1615 . 1 1 185 185 TYR HB2 H 1 3.008 0.0070 . 1 . . . . . . . . 5599 1 1616 . 1 1 185 185 TYR HB3 H 1 3.214 0.019 . 1 . . . . . . . . 5599 1 1617 . 1 1 186 186 LEU H H 1 8.827 0.0040 . 1 . . . . . . . . 5599 1 1618 . 1 1 186 186 LEU N N 15 121.806 0.061 . 1 . . . . . . . . 5599 1 1619 . 1 1 186 186 LEU CA C 13 58.94 0.07 . 1 . . . . . . . . 5599 1 1620 . 1 1 186 186 LEU C C 13 179.122 0.0 . 1 . . . . . . . . 5599 1 1621 . 1 1 186 186 LEU CB C 13 42.332 0.073 . 1 . . . . . . . . 5599 1 1622 . 1 1 187 187 LYS N N 15 119.998 0.078 . 1 . . . . . . . . 5599 1 1623 . 1 1 187 187 LYS CA C 13 61.288 0.058 . 1 . . . . . . . . 5599 1 1624 . 1 1 187 187 LYS C C 13 179.855 0.0 . 1 . . . . . . . . 5599 1 1625 . 1 1 187 187 LYS CB C 13 32.99 0.037 . 1 . . . . . . . . 5599 1 1626 . 1 1 188 188 LEU H H 1 7.674 0.0070 . 1 . . . . . . . . 5599 1 1627 . 1 1 188 188 LEU N N 15 122.2 0.0 . 1 . . . . . . . . 5599 1 1628 . 1 1 188 188 LEU CA C 13 58.466 0.086 . 1 . . . . . . . . 5599 1 1629 . 1 1 188 188 LEU HA H 1 4.078 0.0020 . 1 . . . . . . . . 5599 1 1630 . 1 1 188 188 LEU C C 13 179.689 0.0 . 1 . . . . . . . . 5599 1 1631 . 1 1 188 188 LEU CB C 13 42.499 0.0 . 1 . . . . . . . . 5599 1 1632 . 1 1 188 188 LEU HB2 H 1 1.95 0.0010 . 1 . . . . . . . . 5599 1 1633 . 1 1 188 188 LEU CG C 13 28.375 0.248 . 1 . . . . . . . . 5599 1 1634 . 1 1 188 188 LEU CD1 C 13 23.997 0.068 . 1 . . . . . . . . 5599 1 1635 . 1 1 188 188 LEU HD11 H 1 0.82 0.01 . 1 . . . . . . . . 5599 1 1636 . 1 1 188 188 LEU HD12 H 1 0.82 0.01 . 1 . . . . . . . . 5599 1 1637 . 1 1 188 188 LEU HD13 H 1 0.82 0.01 . 1 . . . . . . . . 5599 1 1638 . 1 1 188 188 LEU CD2 C 13 25.86 0.016 . 1 . . . . . . . . 5599 1 1639 . 1 1 188 188 LEU HD21 H 1 0.534 0.0070 . 1 . . . . . . . . 5599 1 1640 . 1 1 188 188 LEU HD22 H 1 0.534 0.0070 . 1 . . . . . . . . 5599 1 1641 . 1 1 188 188 LEU HD23 H 1 0.534 0.0070 . 1 . . . . . . . . 5599 1 1642 . 1 1 188 188 LEU HG H 1 1.924 0.0050 . 1 . . . . . . . . 5599 1 1643 . 1 1 189 189 LEU H H 1 8.612 0.0050 . 1 . . . . . . . . 5599 1 1644 . 1 1 189 189 LEU N N 15 121.909 0.031 . 1 . . . . . . . . 5599 1 1645 . 1 1 189 189 LEU CA C 13 58.486 0.061 . 1 . . . . . . . . 5599 1 1646 . 1 1 189 189 LEU C C 13 178.168 0.0 . 1 . . . . . . . . 5599 1 1647 . 1 1 189 189 LEU CB C 13 42.859 0.0 . 1 . . . . . . . . 5599 1 1648 . 1 1 190 190 LYS H H 1 8.511 0.0060 . 1 . . . . . . . . 5599 1 1649 . 1 1 190 190 LYS N N 15 121.41 0.024 . 1 . . . . . . . . 5599 1 1650 . 1 1 190 190 LYS CA C 13 60.603 0.033 . 1 . . . . . . . . 5599 1 1651 . 1 1 190 190 LYS C C 13 179.536 0.0 . 1 . . . . . . . . 5599 1 1652 . 1 1 190 190 LYS CB C 13 32.991 0.0 . 1 . . . . . . . . 5599 1 stop_ save_