################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17092 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $HR4435B.009_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17092 1 2 '2D 1H-13C HSQC' . . . 17092 1 3 '3D CBCA(CO)NH' . . . 17092 1 4 '3D HNCACB' . . . 17092 1 5 '3D HBHA(CO)NH' . . . 17092 1 6 '3D HNCO' . . . 17092 1 7 '3D HCCH-TOCSY' . . . 17092 1 8 '3D 1H-15N NOESY' . . . 17092 1 9 '3D 1H-13C NOESY' . . . 17092 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 11 11 MET HA H 1 4.611 0.05 . 1 . . . . . 11 MET HA . 17092 1 2 . 1 1 11 11 MET HB2 H 1 3.072 0.05 . 1 . . . . . 11 MET HB2 . 17092 1 3 . 1 1 11 11 MET HB3 H 1 3.072 0.05 . 1 . . . . . 11 MET HB3 . 17092 1 4 . 1 1 11 11 MET C C 13 174.809 0.5 . 1 . . . . . 11 MET C . 17092 1 5 . 1 1 11 11 MET CA C 13 56.308 0.5 . 1 . . . . . 11 MET CA . 17092 1 6 . 1 1 11 11 MET CB C 13 30.305 0.5 . 1 . . . . . 11 MET CB . 17092 1 7 . 1 1 12 12 LEU H H 1 7.993 0.05 . 1 . . . . . 12 LEU H . 17092 1 8 . 1 1 12 12 LEU HA H 1 4.13 0.05 . 1 . . . . . 12 LEU HA . 17092 1 9 . 1 1 12 12 LEU HB2 H 1 1.788 0.05 . 2 . . . . . 12 LEU HB2 . 17092 1 10 . 1 1 12 12 LEU HB3 H 1 1.788 0.05 . 2 . . . . . 12 LEU HB3 . 17092 1 11 . 1 1 12 12 LEU HD11 H 1 0.97 0.05 . 2 . . . . . 12 LEU HD1 . 17092 1 12 . 1 1 12 12 LEU HD12 H 1 0.97 0.05 . 2 . . . . . 12 LEU HD1 . 17092 1 13 . 1 1 12 12 LEU HD13 H 1 0.97 0.05 . 2 . . . . . 12 LEU HD1 . 17092 1 14 . 1 1 12 12 LEU HD21 H 1 0.737 0.05 . 2 . . . . . 12 LEU HD2 . 17092 1 15 . 1 1 12 12 LEU HD22 H 1 0.737 0.05 . 2 . . . . . 12 LEU HD2 . 17092 1 16 . 1 1 12 12 LEU HD23 H 1 0.737 0.05 . 2 . . . . . 12 LEU HD2 . 17092 1 17 . 1 1 12 12 LEU HG H 1 1.12 0.05 . 1 . . . . . 12 LEU HG . 17092 1 18 . 1 1 12 12 LEU CA C 13 61.053 0.5 . 1 . . . . . 12 LEU CA . 17092 1 19 . 1 1 12 12 LEU CB C 13 38.62 0.5 . 1 . . . . . 12 LEU CB . 17092 1 20 . 1 1 12 12 LEU CD1 C 13 17.65 0.5 . 2 . . . . . 12 LEU CD1 . 17092 1 21 . 1 1 12 12 LEU CG C 13 27.31 0.5 . 1 . . . . . 12 LEU CG . 17092 1 22 . 1 1 12 12 LEU N N 15 122.279 0.5 . 1 . . . . . 12 LEU N . 17092 1 23 . 1 1 13 13 PRO HA H 1 4.687 0.05 . 1 . . . . . 13 PRO HA . 17092 1 24 . 1 1 13 13 PRO HB2 H 1 2.383 0.05 . 2 . . . . . 13 PRO HB2 . 17092 1 25 . 1 1 13 13 PRO HB3 H 1 1.914 0.05 . 2 . . . . . 13 PRO HB3 . 17092 1 26 . 1 1 13 13 PRO HD2 H 1 3.538 0.05 . 2 . . . . . 13 PRO HD2 . 17092 1 27 . 1 1 13 13 PRO HD3 H 1 3.891 0.05 . 2 . . . . . 13 PRO HD3 . 17092 1 28 . 1 1 13 13 PRO HG2 H 1 2.022 0.05 . 2 . . . . . 13 PRO HG2 . 17092 1 29 . 1 1 13 13 PRO HG3 H 1 2.022 0.05 . 2 . . . . . 13 PRO HG3 . 17092 1 30 . 1 1 13 13 PRO CA C 13 61.568 0.5 . 1 . . . . . 13 PRO CA . 17092 1 31 . 1 1 13 13 PRO CB C 13 31.219 0.5 . 1 . . . . . 13 PRO CB . 17092 1 32 . 1 1 13 13 PRO CD C 13 50.672 0.5 . 1 . . . . . 13 PRO CD . 17092 1 33 . 1 1 13 13 PRO CG C 13 27.78 0.5 . 1 . . . . . 13 PRO CG . 17092 1 34 . 1 1 14 14 PRO HA H 1 4.129 0.05 . 1 . . . . . 14 PRO HA . 17092 1 35 . 1 1 14 14 PRO HB2 H 1 1.799 0.05 . 2 . . . . . 14 PRO HB2 . 17092 1 36 . 1 1 14 14 PRO HB3 H 1 2.218 0.05 . 2 . . . . . 14 PRO HB3 . 17092 1 37 . 1 1 14 14 PRO HD2 H 1 3.634 0.05 . 2 . . . . . 14 PRO HD2 . 17092 1 38 . 1 1 14 14 PRO HD3 H 1 3.829 0.05 . 2 . . . . . 14 PRO HD3 . 17092 1 39 . 1 1 14 14 PRO HG2 H 1 1.686 0.05 . 2 . . . . . 14 PRO HG2 . 17092 1 40 . 1 1 14 14 PRO HG3 H 1 1.964 0.05 . 2 . . . . . 14 PRO HG3 . 17092 1 41 . 1 1 14 14 PRO C C 13 177.029 0.5 . 1 . . . . . 14 PRO C . 17092 1 42 . 1 1 14 14 PRO CA C 13 64.68 0.5 . 1 . . . . . 14 PRO CA . 17092 1 43 . 1 1 14 14 PRO CB C 13 32.257 0.5 . 1 . . . . . 14 PRO CB . 17092 1 44 . 1 1 14 14 PRO CD C 13 50.652 0.5 . 1 . . . . . 14 PRO CD . 17092 1 45 . 1 1 14 14 PRO CG C 13 27.601 0.5 . 1 . . . . . 14 PRO CG . 17092 1 46 . 1 1 15 15 GLU H H 1 8.997 0.05 . 1 . . . . . 15 GLU H . 17092 1 47 . 1 1 15 15 GLU HA H 1 4.075 0.05 . 1 . . . . . 15 GLU HA . 17092 1 48 . 1 1 15 15 GLU HB2 H 1 1.978 0.05 . 2 . . . . . 15 GLU HB2 . 17092 1 49 . 1 1 15 15 GLU HB3 H 1 1.977 0.05 . 2 . . . . . 15 GLU HB3 . 17092 1 50 . 1 1 15 15 GLU HG2 H 1 2.235 0.05 . 2 . . . . . 15 GLU HG2 . 17092 1 51 . 1 1 15 15 GLU HG3 H 1 2.235 0.05 . 2 . . . . . 15 GLU HG3 . 17092 1 52 . 1 1 15 15 GLU C C 13 176.86 0.5 . 1 . . . . . 15 GLU C . 17092 1 53 . 1 1 15 15 GLU CA C 13 58.265 0.5 . 1 . . . . . 15 GLU CA . 17092 1 54 . 1 1 15 15 GLU CB C 13 29.104 0.5 . 1 . . . . . 15 GLU CB . 17092 1 55 . 1 1 15 15 GLU CG C 13 36.472 0.5 . 1 . . . . . 15 GLU CG . 17092 1 56 . 1 1 15 15 GLU N N 15 116.877 0.5 . 1 . . . . . 15 GLU N . 17092 1 57 . 1 1 16 16 GLN H H 1 8.364 0.05 . 1 . . . . . 16 GLN H . 17092 1 58 . 1 1 16 16 GLN HA H 1 4.417 0.05 . 1 . . . . . 16 GLN HA . 17092 1 59 . 1 1 16 16 GLN HB2 H 1 1.872 0.05 . 2 . . . . . 16 GLN HB2 . 17092 1 60 . 1 1 16 16 GLN HB3 H 1 2.234 0.05 . 2 . . . . . 16 GLN HB3 . 17092 1 61 . 1 1 16 16 GLN HE21 H 1 6.81 0.05 . 2 . . . . . 16 GLN HE21 . 17092 1 62 . 1 1 16 16 GLN HE22 H 1 7.55 0.05 . 2 . . . . . 16 GLN HE22 . 17092 1 63 . 1 1 16 16 GLN HG2 H 1 2.269 0.05 . 2 . . . . . 16 GLN HG2 . 17092 1 64 . 1 1 16 16 GLN HG3 H 1 2.269 0.05 . 2 . . . . . 16 GLN HG3 . 17092 1 65 . 1 1 16 16 GLN C C 13 176.023 0.5 . 1 . . . . . 16 GLN C . 17092 1 66 . 1 1 16 16 GLN CA C 13 55.521 0.5 . 1 . . . . . 16 GLN CA . 17092 1 67 . 1 1 16 16 GLN CB C 13 29.90 0.5 . 1 . . . . . 16 GLN CB . 17092 1 68 . 1 1 16 16 GLN CG C 13 34.052 0.5 . 1 . . . . . 16 GLN CG . 17092 1 69 . 1 1 16 16 GLN N N 15 119.163 0.5 . 1 . . . . . 16 GLN N . 17092 1 70 . 1 1 16 16 GLN NE2 N 15 112.4 0.5 . 1 . . . . . 16 GLN NE2 . 17092 1 71 . 1 1 17 17 TRP H H 1 8.457 0.05 . 1 . . . . . 17 TRP H . 17092 1 72 . 1 1 17 17 TRP HA H 1 4.216 0.05 . 1 . . . . . 17 TRP HA . 17092 1 73 . 1 1 17 17 TRP HB2 H 1 2.919 0.05 . 2 . . . . . 17 TRP HB2 . 17092 1 74 . 1 1 17 17 TRP HB3 H 1 3.059 0.05 . 2 . . . . . 17 TRP HB3 . 17092 1 75 . 1 1 17 17 TRP HD1 H 1 7.498 0.05 . 1 . . . . . 17 TRP HD1 . 17092 1 76 . 1 1 17 17 TRP HE1 H 1 10.08 0.05 . 1 . . . . . 17 TRP HE1 . 17092 1 77 . 1 1 17 17 TRP HE3 H 1 7.46 0.05 . 1 . . . . . 17 TRP HE3 . 17092 1 78 . 1 1 17 17 TRP HH2 H 1 6.598 0.05 . 1 . . . . . 17 TRP HH2 . 17092 1 79 . 1 1 17 17 TRP HZ2 H 1 7.464 0.05 . 1 . . . . . 17 TRP HZ2 . 17092 1 80 . 1 1 17 17 TRP HZ3 H 1 6.847 0.05 . 1 . . . . . 17 TRP HZ3 . 17092 1 81 . 1 1 17 17 TRP C C 13 174.779 0.5 . 1 . . . . . 17 TRP C . 17092 1 82 . 1 1 17 17 TRP CA C 13 59.496 0.5 . 1 . . . . . 17 TRP CA . 17092 1 83 . 1 1 17 17 TRP CB C 13 29.005 0.5 . 1 . . . . . 17 TRP CB . 17092 1 84 . 1 1 17 17 TRP CD1 C 13 127.37 0.5 . 1 . . . . . 17 TRP CD1 . 17092 1 85 . 1 1 17 17 TRP CE3 C 13 120.0 0.5 . 1 . . . . . 17 TRP CE3 . 17092 1 86 . 1 1 17 17 TRP CH2 C 13 123.7 0.5 . 1 . . . . . 17 TRP CH2 . 17092 1 87 . 1 1 17 17 TRP CZ2 C 13 114.6 0.5 . 1 . . . . . 17 TRP CZ2 . 17092 1 88 . 1 1 17 17 TRP CZ3 C 13 121.06 0.5 . 1 . . . . . 17 TRP CZ3 . 17092 1 89 . 1 1 17 17 TRP N N 15 123.943 0.5 . 1 . . . . . 17 TRP N . 17092 1 90 . 1 1 17 17 TRP NE1 N 15 129.7 0.5 . 1 . . . . . 17 TRP NE1 . 17092 1 91 . 1 1 18 18 SER H H 1 8.359 0.05 . 1 . . . . . 18 SER H . 17092 1 92 . 1 1 18 18 SER HA H 1 4.513 0.05 . 1 . . . . . 18 SER HA . 17092 1 93 . 1 1 18 18 SER HB2 H 1 4.272 0.05 . 2 . . . . . 18 SER HB2 . 17092 1 94 . 1 1 18 18 SER HB3 H 1 3.852 0.05 . 2 . . . . . 18 SER HB3 . 17092 1 95 . 1 1 18 18 SER CA C 13 55.99 0.5 . 1 . . . . . 18 SER CA . 17092 1 96 . 1 1 18 18 SER CB C 13 66.818 0.5 . 1 . . . . . 18 SER CB . 17092 1 97 . 1 1 18 18 SER N N 15 117.131 0.5 . 1 . . . . . 18 SER N . 17092 1 98 . 1 1 19 19 HIS H H 1 8.835 0.05 . 1 . . . . . 19 HIS H . 17092 1 99 . 1 1 19 19 HIS HA H 1 3.948 0.05 . 1 . . . . . 19 HIS HA . 17092 1 100 . 1 1 19 19 HIS HB2 H 1 2.929 0.05 . 2 . . . . . 19 HIS HB2 . 17092 1 101 . 1 1 19 19 HIS HB3 H 1 2.812 0.05 . 2 . . . . . 19 HIS HB3 . 17092 1 102 . 1 1 19 19 HIS HD2 H 1 6.701 0.05 . 1 . . . . . 19 HIS HD2 . 17092 1 103 . 1 1 19 19 HIS C C 13 177.241 0.5 . 1 . . . . . 19 HIS C . 17092 1 104 . 1 1 19 19 HIS CA C 13 61.370 0.5 . 1 . . . . . 19 HIS CA . 17092 1 105 . 1 1 19 19 HIS CB C 13 30.306 0.5 . 1 . . . . . 19 HIS CB . 17092 1 106 . 1 1 19 19 HIS CD2 C 13 118.2 0.5 . 1 . . . . . 19 HIS CD2 . 17092 1 107 . 1 1 19 19 HIS N N 15 120.098 0.5 . 1 . . . . . 19 HIS N . 17092 1 108 . 1 1 20 20 THR H H 1 7.715 0.05 . 1 . . . . . 20 THR H . 17092 1 109 . 1 1 20 20 THR HA H 1 3.750 0.05 . 1 . . . . . 20 THR HA . 17092 1 110 . 1 1 20 20 THR HB H 1 3.890 0.05 . 1 . . . . . 20 THR HB . 17092 1 111 . 1 1 20 20 THR HG21 H 1 1.075 0.05 . 2 . . . . . 20 THR HG2 . 17092 1 112 . 1 1 20 20 THR HG22 H 1 1.075 0.05 . 2 . . . . . 20 THR HG2 . 17092 1 113 . 1 1 20 20 THR HG23 H 1 1.075 0.05 . 2 . . . . . 20 THR HG2 . 17092 1 114 . 1 1 20 20 THR C C 13 175.401 0.5 . 1 . . . . . 20 THR C . 17092 1 115 . 1 1 20 20 THR CA C 13 66.06 0.5 . 1 . . . . . 20 THR CA . 17092 1 116 . 1 1 20 20 THR CB C 13 68.50 0.5 . 1 . . . . . 20 THR CB . 17092 1 117 . 1 1 20 20 THR CG2 C 13 21.866 0.5 . 1 . . . . . 20 THR CG2 . 17092 1 118 . 1 1 20 20 THR N N 15 114.052 0.5 . 1 . . . . . 20 THR N . 17092 1 119 . 1 1 21 21 THR H H 1 7.366 0.05 . 1 . . . . . 21 THR H . 17092 1 120 . 1 1 21 21 THR HA H 1 3.672 0.05 . 1 . . . . . 21 THR HA . 17092 1 121 . 1 1 21 21 THR HB H 1 3.748 0.05 . 1 . . . . . 21 THR HB . 17092 1 122 . 1 1 21 21 THR HG21 H 1 0.205 0.05 . 2 . . . . . 21 THR HG2 . 17092 1 123 . 1 1 21 21 THR HG22 H 1 0.205 0.05 . 2 . . . . . 21 THR HG2 . 17092 1 124 . 1 1 21 21 THR HG23 H 1 0.205 0.05 . 2 . . . . . 21 THR HG2 . 17092 1 125 . 1 1 21 21 THR C C 13 178.441 0.5 . 1 . . . . . 21 THR C . 17092 1 126 . 1 1 21 21 THR CA C 13 65.14 0.5 . 1 . . . . . 21 THR CA . 17092 1 127 . 1 1 21 21 THR CB C 13 68.660 0.5 . 1 . . . . . 21 THR CB . 17092 1 128 . 1 1 21 21 THR CG2 C 13 22.584 0.5 . 1 . . . . . 21 THR CG2 . 17092 1 129 . 1 1 21 21 THR N N 15 117.272 0.5 . 1 . . . . . 21 THR N . 17092 1 130 . 1 1 22 22 VAL H H 1 8.245 0.05 . 1 . . . . . 22 VAL H . 17092 1 131 . 1 1 22 22 VAL HA H 1 3.499 0.05 . 1 . . . . . 22 VAL HA . 17092 1 132 . 1 1 22 22 VAL HB H 1 2.055 0.05 . 1 . . . . . 22 VAL HB . 17092 1 133 . 1 1 22 22 VAL HG11 H 1 1.195 0.05 . 2 . . . . . 22 VAL HG1 . 17092 1 134 . 1 1 22 22 VAL HG12 H 1 1.195 0.05 . 2 . . . . . 22 VAL HG1 . 17092 1 135 . 1 1 22 22 VAL HG13 H 1 1.195 0.05 . 2 . . . . . 22 VAL HG1 . 17092 1 136 . 1 1 22 22 VAL HG21 H 1 0.126 0.05 . 2 . . . . . 22 VAL HG2 . 17092 1 137 . 1 1 22 22 VAL HG22 H 1 0.126 0.05 . 2 . . . . . 22 VAL HG2 . 17092 1 138 . 1 1 22 22 VAL HG23 H 1 0.126 0.05 . 2 . . . . . 22 VAL HG2 . 17092 1 139 . 1 1 22 22 VAL C C 13 176.627 0.5 . 1 . . . . . 22 VAL C . 17092 1 140 . 1 1 22 22 VAL CA C 13 66.994 0.5 . 1 . . . . . 22 VAL CA . 17092 1 141 . 1 1 22 22 VAL CB C 13 31.34 0.5 . 1 . . . . . 22 VAL CB . 17092 1 142 . 1 1 22 22 VAL CG1 C 13 23.98 0.5 . 2 . . . . . 22 VAL CG1 . 17092 1 143 . 1 1 22 22 VAL CG2 C 13 20.885 0.5 . 2 . . . . . 22 VAL CG2 . 17092 1 144 . 1 1 22 22 VAL N N 15 121.128 0.5 . 1 . . . . . 22 VAL N . 17092 1 145 . 1 1 23 23 ARG H H 1 8.357 0.05 . 1 . . . . . 23 ARG H . 17092 1 146 . 1 1 23 23 ARG HA H 1 3.453 0.05 . 1 . . . . . 23 ARG HA . 17092 1 147 . 1 1 23 23 ARG HB2 H 1 1.938 0.05 . 2 . . . . . 23 ARG HB2 . 17092 1 148 . 1 1 23 23 ARG HB3 H 1 1.621 0.05 . 2 . . . . . 23 ARG HB3 . 17092 1 149 . 1 1 23 23 ARG HD2 H 1 3.267 0.05 . 2 . . . . . 23 ARG HD2 . 17092 1 150 . 1 1 23 23 ARG HD3 H 1 3.267 0.05 . 2 . . . . . 23 ARG HD3 . 17092 1 151 . 1 1 23 23 ARG HG2 H 1 1.479 0.05 . 2 . . . . . 23 ARG HG2 . 17092 1 152 . 1 1 23 23 ARG HG3 H 1 1.334 0.05 . 2 . . . . . 23 ARG HG3 . 17092 1 153 . 1 1 23 23 ARG C C 13 177.705 0.5 . 1 . . . . . 23 ARG C . 17092 1 154 . 1 1 23 23 ARG CA C 13 61.016 0.5 . 1 . . . . . 23 ARG CA . 17092 1 155 . 1 1 23 23 ARG CB C 13 29.460 0.5 . 1 . . . . . 23 ARG CB . 17092 1 156 . 1 1 23 23 ARG CD C 13 43.404 0.5 . 1 . . . . . 23 ARG CD . 17092 1 157 . 1 1 23 23 ARG CG C 13 28.45 0.5 . 1 . . . . . 23 ARG CG . 17092 1 158 . 1 1 23 23 ARG N N 15 120.207 0.5 . 1 . . . . . 23 ARG N . 17092 1 159 . 1 1 24 24 ASN H H 1 8.084 0.05 . 1 . . . . . 24 ASN H . 17092 1 160 . 1 1 24 24 ASN HA H 1 4.322 0.05 . 1 . . . . . 24 ASN HA . 17092 1 161 . 1 1 24 24 ASN HB2 H 1 2.790 0.05 . 2 . . . . . 24 ASN HB2 . 17092 1 162 . 1 1 24 24 ASN HB3 H 1 2.687 0.05 . 2 . . . . . 24 ASN HB3 . 17092 1 163 . 1 1 24 24 ASN HD21 H 1 6.913 0.05 . 2 . . . . . 24 ASN HD21 . 17092 1 164 . 1 1 24 24 ASN HD22 H 1 7.578 0.05 . 2 . . . . . 24 ASN HD22 . 17092 1 165 . 1 1 24 24 ASN C C 13 177.832 0.5 . 1 . . . . . 24 ASN C . 17092 1 166 . 1 1 24 24 ASN CA C 13 55.773 0.5 . 1 . . . . . 24 ASN CA . 17092 1 167 . 1 1 24 24 ASN CB C 13 37.474 0.5 . 1 . . . . . 24 ASN CB . 17092 1 168 . 1 1 24 24 ASN N N 15 116.048 0.5 . 1 . . . . . 24 ASN N . 17092 1 169 . 1 1 24 24 ASN ND2 N 15 112.3 0.5 . 1 . . . . . 24 ASN ND2 . 17092 1 170 . 1 1 25 25 ALA H H 1 7.842 0.05 . 1 . . . . . 25 ALA H . 17092 1 171 . 1 1 25 25 ALA HA H 1 4.242 0.05 . 1 . . . . . 25 ALA HA . 17092 1 172 . 1 1 25 25 ALA HB1 H 1 1.416 0.05 . 1 . . . . . 25 ALA HB . 17092 1 173 . 1 1 25 25 ALA HB2 H 1 1.416 0.05 . 1 . . . . . 25 ALA HB . 17092 1 174 . 1 1 25 25 ALA HB3 H 1 1.416 0.05 . 1 . . . . . 25 ALA HB . 17092 1 175 . 1 1 25 25 ALA C C 13 178.995 0.5 . 1 . . . . . 25 ALA C . 17092 1 176 . 1 1 25 25 ALA CA C 13 55.312 0.5 . 1 . . . . . 25 ALA CA . 17092 1 177 . 1 1 25 25 ALA CB C 13 18.500 0.5 . 1 . . . . . 25 ALA CB . 17092 1 178 . 1 1 25 25 ALA N N 15 123.506 0.5 . 1 . . . . . 25 ALA N . 17092 1 179 . 1 1 26 26 LEU H H 1 8.691 0.05 . 1 . . . . . 26 LEU H . 17092 1 180 . 1 1 26 26 LEU HA H 1 4.044 0.05 . 1 . . . . . 26 LEU HA . 17092 1 181 . 1 1 26 26 LEU HB2 H 1 1.059 0.05 . 2 . . . . . 26 LEU HB2 . 17092 1 182 . 1 1 26 26 LEU HB3 H 1 1.926 0.05 . 2 . . . . . 26 LEU HB3 . 17092 1 183 . 1 1 26 26 LEU HD11 H 1 0.791 0.05 . 2 . . . . . 26 LEU HD1 . 17092 1 184 . 1 1 26 26 LEU HD12 H 1 0.791 0.05 . 2 . . . . . 26 LEU HD1 . 17092 1 185 . 1 1 26 26 LEU HD13 H 1 0.791 0.05 . 2 . . . . . 26 LEU HD1 . 17092 1 186 . 1 1 26 26 LEU HD21 H 1 0.551 0.05 . 2 . . . . . 26 LEU HD2 . 17092 1 187 . 1 1 26 26 LEU HD22 H 1 0.551 0.05 . 2 . . . . . 26 LEU HD2 . 17092 1 188 . 1 1 26 26 LEU HD23 H 1 0.551 0.05 . 2 . . . . . 26 LEU HD2 . 17092 1 189 . 1 1 26 26 LEU HG H 1 1.336 0.05 . 1 . . . . . 26 LEU HG . 17092 1 190 . 1 1 26 26 LEU C C 13 178.488 0.5 . 1 . . . . . 26 LEU C . 17092 1 191 . 1 1 26 26 LEU CA C 13 58.307 0.5 . 1 . . . . . 26 LEU CA . 17092 1 192 . 1 1 26 26 LEU CB C 13 42.28 0.5 . 1 . . . . . 26 LEU CB . 17092 1 193 . 1 1 26 26 LEU CD1 C 13 24.667 0.5 . 2 . . . . . 26 LEU CD1 . 17092 1 194 . 1 1 26 26 LEU CD2 C 13 26.93 0.5 . 2 . . . . . 26 LEU CD2 . 17092 1 195 . 1 1 26 26 LEU CG C 13 27.13 0.5 . 1 . . . . . 26 LEU CG . 17092 1 196 . 1 1 26 26 LEU N N 15 117.957 0.5 . 1 . . . . . 26 LEU N . 17092 1 197 . 1 1 27 27 LYS H H 1 8.164 0.05 . 1 . . . . . 27 LYS H . 17092 1 198 . 1 1 27 27 LYS HA H 1 3.869 0.05 . 1 . . . . . 27 LYS HA . 17092 1 199 . 1 1 27 27 LYS HB2 H 1 1.861 0.05 . 2 . . . . . 27 LYS HB2 . 17092 1 200 . 1 1 27 27 LYS HB3 H 1 1.861 0.05 . 2 . . . . . 27 LYS HB3 . 17092 1 201 . 1 1 27 27 LYS HD2 H 1 1.677 0.05 . 2 . . . . . 27 LYS HD2 . 17092 1 202 . 1 1 27 27 LYS HD3 H 1 1.677 0.05 . 2 . . . . . 27 LYS HD3 . 17092 1 203 . 1 1 27 27 LYS HG2 H 1 1.436 0.05 . 2 . . . . . 27 LYS HG2 . 17092 1 204 . 1 1 27 27 LYS HG3 H 1 1.718 0.05 . 2 . . . . . 27 LYS HG3 . 17092 1 205 . 1 1 27 27 LYS C C 13 179.177 0.5 . 1 . . . . . 27 LYS C . 17092 1 206 . 1 1 27 27 LYS CA C 13 60.275 0.5 . 1 . . . . . 27 LYS CA . 17092 1 207 . 1 1 27 27 LYS CB C 13 31.716 0.5 . 1 . . . . . 27 LYS CB . 17092 1 208 . 1 1 27 27 LYS CD C 13 29.398 0.5 . 1 . . . . . 27 LYS CD . 17092 1 209 . 1 1 27 27 LYS CE C 13 41.848 0.5 . 1 . . . . . 27 LYS CE . 17092 1 210 . 1 1 27 27 LYS CG C 13 25.76 0.5 . 1 . . . . . 27 LYS CG . 17092 1 211 . 1 1 27 27 LYS N N 15 116.679 0.5 . 1 . . . . . 27 LYS N . 17092 1 212 . 1 1 28 28 ASP H H 1 7.421 0.05 . 1 . . . . . 28 ASP H . 17092 1 213 . 1 1 28 28 ASP HA H 1 4.483 0.05 . 1 . . . . . 28 ASP HA . 17092 1 214 . 1 1 28 28 ASP HB2 H 1 2.895 0.05 . 2 . . . . . 28 ASP HB2 . 17092 1 215 . 1 1 28 28 ASP HB3 H 1 2.954 0.05 . 2 . . . . . 28 ASP HB3 . 17092 1 216 . 1 1 28 28 ASP C C 13 179.194 0.5 . 1 . . . . . 28 ASP C . 17092 1 217 . 1 1 28 28 ASP CA C 13 57.708 0.5 . 1 . . . . . 28 ASP CA . 17092 1 218 . 1 1 28 28 ASP CB C 13 41.33 0.5 . 1 . . . . . 28 ASP CB . 17092 1 219 . 1 1 28 28 ASP N N 15 118.199 0.5 . 1 . . . . . 28 ASP N . 17092 1 220 . 1 1 29 29 LEU H H 1 8.542 0.05 . 1 . . . . . 29 LEU H . 17092 1 221 . 1 1 29 29 LEU HA H 1 4.285 0.05 . 1 . . . . . 29 LEU HA . 17092 1 222 . 1 1 29 29 LEU HB2 H 1 1.657 0.05 . 2 . . . . . 29 LEU HB2 . 17092 1 223 . 1 1 29 29 LEU HB3 H 1 2.178 0.05 . 2 . . . . . 29 LEU HB3 . 17092 1 224 . 1 1 29 29 LEU HD11 H 1 1.171 0.05 . 2 . . . . . 29 LEU HD1 . 17092 1 225 . 1 1 29 29 LEU HD12 H 1 1.171 0.05 . 2 . . . . . 29 LEU HD1 . 17092 1 226 . 1 1 29 29 LEU HD13 H 1 1.171 0.05 . 2 . . . . . 29 LEU HD1 . 17092 1 227 . 1 1 29 29 LEU HD21 H 1 1.171 0.05 . 2 . . . . . 29 LEU HD2 . 17092 1 228 . 1 1 29 29 LEU HD22 H 1 1.171 0.05 . 2 . . . . . 29 LEU HD2 . 17092 1 229 . 1 1 29 29 LEU HD23 H 1 1.171 0.05 . 2 . . . . . 29 LEU HD2 . 17092 1 230 . 1 1 29 29 LEU HG H 1 2.317 0.05 . 1 . . . . . 29 LEU HG . 17092 1 231 . 1 1 29 29 LEU C C 13 179.716 0.5 . 1 . . . . . 29 LEU C . 17092 1 232 . 1 1 29 29 LEU CA C 13 58.11 0.5 . 1 . . . . . 29 LEU CA . 17092 1 233 . 1 1 29 29 LEU CB C 13 43.179 0.5 . 1 . . . . . 29 LEU CB . 17092 1 234 . 1 1 29 29 LEU CD1 C 13 24.065 0.5 . 2 . . . . . 29 LEU CD1 . 17092 1 235 . 1 1 29 29 LEU CD2 C 13 24.065 0.5 . 2 . . . . . 29 LEU CD2 . 17092 1 236 . 1 1 29 29 LEU CG C 13 27.33 0.5 . 1 . . . . . 29 LEU CG . 17092 1 237 . 1 1 29 29 LEU N N 15 121.732 0.5 . 1 . . . . . 29 LEU N . 17092 1 238 . 1 1 30 30 LEU H H 1 8.375 0.05 . 1 . . . . . 30 LEU H . 17092 1 239 . 1 1 30 30 LEU HA H 1 4.751 0.05 . 1 . . . . . 30 LEU HA . 17092 1 240 . 1 1 30 30 LEU HB2 H 1 1.797 0.05 . 2 . . . . . 30 LEU HB2 . 17092 1 241 . 1 1 30 30 LEU HB3 H 1 1.658 0.05 . 2 . . . . . 30 LEU HB3 . 17092 1 242 . 1 1 30 30 LEU HD11 H 1 0.812 0.05 . 2 . . . . . 30 LEU HD1 . 17092 1 243 . 1 1 30 30 LEU HD12 H 1 0.812 0.05 . 2 . . . . . 30 LEU HD1 . 17092 1 244 . 1 1 30 30 LEU HD13 H 1 0.812 0.05 . 2 . . . . . 30 LEU HD1 . 17092 1 245 . 1 1 30 30 LEU HD21 H 1 0.774 0.05 . 2 . . . . . 30 LEU HD2 . 17092 1 246 . 1 1 30 30 LEU HD22 H 1 0.774 0.05 . 2 . . . . . 30 LEU HD2 . 17092 1 247 . 1 1 30 30 LEU HD23 H 1 0.774 0.05 . 2 . . . . . 30 LEU HD2 . 17092 1 248 . 1 1 30 30 LEU HG H 1 1.799 0.05 . 1 . . . . . 30 LEU HG . 17092 1 249 . 1 1 30 30 LEU C C 13 177.905 0.5 . 1 . . . . . 30 LEU C . 17092 1 250 . 1 1 30 30 LEU CA C 13 56.132 0.5 . 1 . . . . . 30 LEU CA . 17092 1 251 . 1 1 30 30 LEU CB C 13 41.053 0.5 . 1 . . . . . 30 LEU CB . 17092 1 252 . 1 1 30 30 LEU CD1 C 13 23.113 0.5 . 2 . . . . . 30 LEU CD1 . 17092 1 253 . 1 1 30 30 LEU CD2 C 13 26.18 0.5 . 2 . . . . . 30 LEU CD2 . 17092 1 254 . 1 1 30 30 LEU CG C 13 27.24 0.5 . 1 . . . . . 30 LEU CG . 17092 1 255 . 1 1 30 30 LEU N N 15 116.988 0.5 . 1 . . . . . 30 LEU N . 17092 1 256 . 1 1 31 31 LYS H H 1 7.356 0.05 . 1 . . . . . 31 LYS H . 17092 1 257 . 1 1 31 31 LYS HA H 1 4.160 0.05 . 1 . . . . . 31 LYS HA . 17092 1 258 . 1 1 31 31 LYS HB2 H 1 1.887 0.05 . 2 . . . . . 31 LYS HB2 . 17092 1 259 . 1 1 31 31 LYS HB3 H 1 1.887 0.05 . 2 . . . . . 31 LYS HB3 . 17092 1 260 . 1 1 31 31 LYS HD2 H 1 1.758 0.05 . 2 . . . . . 31 LYS HD2 . 17092 1 261 . 1 1 31 31 LYS HD3 H 1 1.758 0.05 . 2 . . . . . 31 LYS HD3 . 17092 1 262 . 1 1 31 31 LYS HE2 H 1 3.025 0.05 . 2 . . . . . 31 LYS HE2 . 17092 1 263 . 1 1 31 31 LYS HE3 H 1 3.025 0.05 . 2 . . . . . 31 LYS HE3 . 17092 1 264 . 1 1 31 31 LYS HG2 H 1 1.497 0.05 . 2 . . . . . 31 LYS HG2 . 17092 1 265 . 1 1 31 31 LYS HG3 H 1 1.745 0.05 . 2 . . . . . 31 LYS HG3 . 17092 1 266 . 1 1 31 31 LYS C C 13 177.685 0.5 . 1 . . . . . 31 LYS C . 17092 1 267 . 1 1 31 31 LYS CA C 13 58.914 0.5 . 1 . . . . . 31 LYS CA . 17092 1 268 . 1 1 31 31 LYS CB C 13 32.407 0.5 . 1 . . . . . 31 LYS CB . 17092 1 269 . 1 1 31 31 LYS CD C 13 29.28 0.5 . 1 . . . . . 31 LYS CD . 17092 1 270 . 1 1 31 31 LYS CE C 13 42.211 0.5 . 1 . . . . . 31 LYS CE . 17092 1 271 . 1 1 31 31 LYS CG C 13 24.89 0.5 . 1 . . . . . 31 LYS CG . 17092 1 272 . 1 1 31 31 LYS N N 15 118.384 0.5 . 1 . . . . . 31 LYS N . 17092 1 273 . 1 1 32 32 ASP H H 1 7.531 0.05 . 1 . . . . . 32 ASP H . 17092 1 274 . 1 1 32 32 ASP HA H 1 4.898 0.05 . 1 . . . . . 32 ASP HA . 17092 1 275 . 1 1 32 32 ASP HB2 H 1 2.823 0.05 . 2 . . . . . 32 ASP HB2 . 17092 1 276 . 1 1 32 32 ASP HB3 H 1 2.673 0.05 . 2 . . . . . 32 ASP HB3 . 17092 1 277 . 1 1 32 32 ASP C C 13 175.336 0.5 . 1 . . . . . 32 ASP C . 17092 1 278 . 1 1 32 32 ASP CA C 13 54.685 0.5 . 1 . . . . . 32 ASP CA . 17092 1 279 . 1 1 32 32 ASP CB C 13 43.536 0.5 . 1 . . . . . 32 ASP CB . 17092 1 280 . 1 1 32 32 ASP N N 15 115.412 0.5 . 1 . . . . . 32 ASP N . 17092 1 281 . 1 1 33 33 MET H H 1 7.912 0.05 . 1 . . . . . 33 MET H . 17092 1 282 . 1 1 33 33 MET HA H 1 4.668 0.05 . 1 . . . . . 33 MET HA . 17092 1 283 . 1 1 33 33 MET HB2 H 1 1.961 0.05 . 2 . . . . . 33 MET HB2 . 17092 1 284 . 1 1 33 33 MET HB3 H 1 2.108 0.05 . 2 . . . . . 33 MET HB3 . 17092 1 285 . 1 1 33 33 MET HE1 H 1 2.116 0.05 . 1 . . . . . 33 MET HE . 17092 1 286 . 1 1 33 33 MET HE2 H 1 2.116 0.05 . 1 . . . . . 33 MET HE . 17092 1 287 . 1 1 33 33 MET HE3 H 1 2.116 0.05 . 1 . . . . . 33 MET HE . 17092 1 288 . 1 1 33 33 MET HG2 H 1 2.511 0.05 . 2 . . . . . 33 MET HG2 . 17092 1 289 . 1 1 33 33 MET HG3 H 1 2.609 0.05 . 2 . . . . . 33 MET HG3 . 17092 1 290 . 1 1 33 33 MET C C 13 173.380 0.5 . 1 . . . . . 33 MET C . 17092 1 291 . 1 1 33 33 MET CA C 13 54.747 0.5 . 1 . . . . . 33 MET CA . 17092 1 292 . 1 1 33 33 MET CB C 13 36.099 0.5 . 1 . . . . . 33 MET CB . 17092 1 293 . 1 1 33 33 MET CE C 13 16.71 0.5 . 1 . . . . . 33 MET CE . 17092 1 294 . 1 1 33 33 MET CG C 13 30.747 0.5 . 1 . . . . . 33 MET CG . 17092 1 295 . 1 1 33 33 MET N N 15 118.971 0.5 . 1 . . . . . 33 MET N . 17092 1 296 . 1 1 34 34 ASN H H 1 8.208 0.05 . 1 . . . . . 34 ASN H . 17092 1 297 . 1 1 34 34 ASN HA H 1 4.837 0.05 . 1 . . . . . 34 ASN HA . 17092 1 298 . 1 1 34 34 ASN HB2 H 1 3.132 0.05 . 2 . . . . . 34 ASN HB2 . 17092 1 299 . 1 1 34 34 ASN HB3 H 1 2.862 0.05 . 2 . . . . . 34 ASN HB3 . 17092 1 300 . 1 1 34 34 ASN HD21 H 1 7.681 0.05 . 2 . . . . . 34 ASN HD21 . 17092 1 301 . 1 1 34 34 ASN HD22 H 1 6.977 0.05 . 2 . . . . . 34 ASN HD22 . 17092 1 302 . 1 1 34 34 ASN C C 13 176.268 0.5 . 1 . . . . . 34 ASN C . 17092 1 303 . 1 1 34 34 ASN CA C 13 52.054 0.5 . 1 . . . . . 34 ASN CA . 17092 1 304 . 1 1 34 34 ASN CB C 13 39.349 0.5 . 1 . . . . . 34 ASN CB . 17092 1 305 . 1 1 34 34 ASN N N 15 116.256 0.5 . 1 . . . . . 34 ASN N . 17092 1 306 . 1 1 34 34 ASN ND2 N 15 113.60 0.5 . 1 . . . . . 34 ASN ND2 . 17092 1 307 . 1 1 35 35 GLN H H 1 8.858 0.05 . 1 . . . . . 35 GLN H . 17092 1 308 . 1 1 35 35 GLN HA H 1 3.796 0.05 . 1 . . . . . 35 GLN HA . 17092 1 309 . 1 1 35 35 GLN HB2 H 1 2.054 0.05 . 2 . . . . . 35 GLN HB2 . 17092 1 310 . 1 1 35 35 GLN HB3 H 1 2.054 0.05 . 2 . . . . . 35 GLN HB3 . 17092 1 311 . 1 1 35 35 GLN HE21 H 1 6.74 0.05 . 2 . . . . . 35 GLN HE21 . 17092 1 312 . 1 1 35 35 GLN HE22 H 1 7.228 0.05 . 2 . . . . . 35 GLN HE22 . 17092 1 313 . 1 1 35 35 GLN HG2 H 1 2.409 0.05 . 2 . . . . . 35 GLN HG2 . 17092 1 314 . 1 1 35 35 GLN HG3 H 1 2.409 0.05 . 2 . . . . . 35 GLN HG3 . 17092 1 315 . 1 1 35 35 GLN C C 13 177.669 0.5 . 1 . . . . . 35 GLN C . 17092 1 316 . 1 1 35 35 GLN CA C 13 60.248 0.5 . 1 . . . . . 35 GLN CA . 17092 1 317 . 1 1 35 35 GLN CB C 13 28.854 0.5 . 1 . . . . . 35 GLN CB . 17092 1 318 . 1 1 35 35 GLN CG C 13 34.589 0.5 . 1 . . . . . 35 GLN CG . 17092 1 319 . 1 1 35 35 GLN N N 15 119.983 0.5 . 1 . . . . . 35 GLN N . 17092 1 320 . 1 1 35 35 GLN NE2 N 15 109.70 0.5 . 1 . . . . . 35 GLN NE2 . 17092 1 321 . 1 1 36 36 SER H H 1 8.413 0.05 . 1 . . . . . 36 SER H . 17092 1 322 . 1 1 36 36 SER HA H 1 4.060 0.05 . 1 . . . . . 36 SER HA . 17092 1 323 . 1 1 36 36 SER HB2 H 1 3.858 0.05 . 2 . . . . . 36 SER HB2 . 17092 1 324 . 1 1 36 36 SER HB3 H 1 3.858 0.05 . 2 . . . . . 36 SER HB3 . 17092 1 325 . 1 1 36 36 SER C C 13 177.339 0.5 . 1 . . . . . 36 SER C . 17092 1 326 . 1 1 36 36 SER CA C 13 61.114 0.5 . 1 . . . . . 36 SER CA . 17092 1 327 . 1 1 36 36 SER CB C 13 62.462 0.5 . 1 . . . . . 36 SER CB . 17092 1 328 . 1 1 36 36 SER N N 15 114.335 0.5 . 1 . . . . . 36 SER N . 17092 1 329 . 1 1 37 37 SER H H 1 8.133 0.05 . 1 . . . . . 37 SER H . 17092 1 330 . 1 1 37 37 SER HA H 1 4.248 0.05 . 1 . . . . . 37 SER HA . 17092 1 331 . 1 1 37 37 SER HB2 H 1 3.955 0.05 . 2 . . . . . 37 SER HB2 . 17092 1 332 . 1 1 37 37 SER HB3 H 1 3.955 0.05 . 2 . . . . . 37 SER HB3 . 17092 1 333 . 1 1 37 37 SER C C 13 176.490 0.5 . 1 . . . . . 37 SER C . 17092 1 334 . 1 1 37 37 SER CA C 13 61.538 0.5 . 1 . . . . . 37 SER CA . 17092 1 335 . 1 1 37 37 SER CB C 13 62.971 0.5 . 1 . . . . . 37 SER CB . 17092 1 336 . 1 1 37 37 SER N N 15 118.759 0.5 . 1 . . . . . 37 SER N . 17092 1 337 . 1 1 38 38 LEU H H 1 8.106 0.05 . 1 . . . . . 38 LEU H . 17092 1 338 . 1 1 38 38 LEU HA H 1 4.074 0.05 . 1 . . . . . 38 LEU HA . 17092 1 339 . 1 1 38 38 LEU HB2 H 1 1.685 0.05 . 2 . . . . . 38 LEU HB2 . 17092 1 340 . 1 1 38 38 LEU HB3 H 1 1.508 0.05 . 2 . . . . . 38 LEU HB3 . 17092 1 341 . 1 1 38 38 LEU HD11 H 1 0.899 0.05 . 2 . . . . . 38 LEU HD1 . 17092 1 342 . 1 1 38 38 LEU HD12 H 1 0.899 0.05 . 2 . . . . . 38 LEU HD1 . 17092 1 343 . 1 1 38 38 LEU HD13 H 1 0.899 0.05 . 2 . . . . . 38 LEU HD1 . 17092 1 344 . 1 1 38 38 LEU HD21 H 1 0.961 0.05 . 2 . . . . . 38 LEU HD2 . 17092 1 345 . 1 1 38 38 LEU HD22 H 1 0.961 0.05 . 2 . . . . . 38 LEU HD2 . 17092 1 346 . 1 1 38 38 LEU HD23 H 1 0.961 0.05 . 2 . . . . . 38 LEU HD2 . 17092 1 347 . 1 1 38 38 LEU HG H 1 1.60 0.05 . 1 . . . . . 38 LEU HG . 17092 1 348 . 1 1 38 38 LEU C C 13 178.439 0.5 . 1 . . . . . 38 LEU C . 17092 1 349 . 1 1 38 38 LEU CA C 13 57.41 0.5 . 1 . . . . . 38 LEU CA . 17092 1 350 . 1 1 38 38 LEU CB C 13 41.756 0.5 . 1 . . . . . 38 LEU CB . 17092 1 351 . 1 1 38 38 LEU CD1 C 13 26.63 0.5 . 2 . . . . . 38 LEU CD1 . 17092 1 352 . 1 1 38 38 LEU CD2 C 13 24.77 0.5 . 2 . . . . . 38 LEU CD2 . 17092 1 353 . 1 1 38 38 LEU CG C 13 27.76 0.5 . 1 . . . . . 38 LEU CG . 17092 1 354 . 1 1 38 38 LEU N N 15 122.957 0.5 . 1 . . . . . 38 LEU N . 17092 1 355 . 1 1 39 39 ALA H H 1 8.088 0.05 . 1 . . . . . 39 ALA H . 17092 1 356 . 1 1 39 39 ALA HA H 1 4.012 0.05 . 1 . . . . . 39 ALA HA . 17092 1 357 . 1 1 39 39 ALA HB1 H 1 1.388 0.05 . 1 . . . . . 39 ALA HB . 17092 1 358 . 1 1 39 39 ALA HB2 H 1 1.388 0.05 . 1 . . . . . 39 ALA HB . 17092 1 359 . 1 1 39 39 ALA HB3 H 1 1.388 0.05 . 1 . . . . . 39 ALA HB . 17092 1 360 . 1 1 39 39 ALA C C 13 177.912 0.5 . 1 . . . . . 39 ALA C . 17092 1 361 . 1 1 39 39 ALA CA C 13 54.431 0.5 . 1 . . . . . 39 ALA CA . 17092 1 362 . 1 1 39 39 ALA CB C 13 18.467 0.5 . 1 . . . . . 39 ALA CB . 17092 1 363 . 1 1 39 39 ALA N N 15 121.176 0.5 . 1 . . . . . 39 ALA N . 17092 1 364 . 1 1 40 40 LYS H H 1 7.317 0.05 . 1 . . . . . 40 LYS H . 17092 1 365 . 1 1 40 40 LYS HA H 1 4.068 0.05 . 1 . . . . . 40 LYS HA . 17092 1 366 . 1 1 40 40 LYS HB2 H 1 1.915 0.05 . 2 . . . . . 40 LYS HB2 . 17092 1 367 . 1 1 40 40 LYS HB3 H 1 1.915 0.05 . 2 . . . . . 40 LYS HB3 . 17092 1 368 . 1 1 40 40 LYS HE2 H 1 2.961 0.05 . 2 . . . . . 40 LYS HE2 . 17092 1 369 . 1 1 40 40 LYS HE3 H 1 2.961 0.05 . 1 . . . . . 40 LYS HE3 . 17092 1 370 . 1 1 40 40 LYS HG2 H 1 1.556 0.05 . 2 . . . . . 40 LYS HG2 . 17092 1 371 . 1 1 40 40 LYS HG3 H 1 1.556 0.05 . 2 . . . . . 40 LYS HG3 . 17092 1 372 . 1 1 40 40 LYS C C 13 177.801 0.5 . 1 . . . . . 40 LYS C . 17092 1 373 . 1 1 40 40 LYS CA C 13 58.293 0.5 . 1 . . . . . 40 LYS CA . 17092 1 374 . 1 1 40 40 LYS CB C 13 32.600 0.5 . 1 . . . . . 40 LYS CB . 17092 1 375 . 1 1 40 40 LYS CD C 13 29.275 0.5 . 1 . . . . . 40 LYS CD . 17092 1 376 . 1 1 40 40 LYS CE C 13 42.117 0.5 . 1 . . . . . 40 LYS CE . 17092 1 377 . 1 1 40 40 LYS CG C 13 25.049 0.5 . 1 . . . . . 40 LYS CG . 17092 1 378 . 1 1 40 40 LYS N N 15 115.241 0.5 . 1 . . . . . 40 LYS N . 17092 1 379 . 1 1 41 41 GLU H H 1 7.385 0.05 . 1 . . . . . 41 GLU H . 17092 1 380 . 1 1 41 41 GLU HA H 1 4.295 0.05 . 1 . . . . . 41 GLU HA . 17092 1 381 . 1 1 41 41 GLU HB2 H 1 1.819 0.05 . 2 . . . . . 41 GLU HB2 . 17092 1 382 . 1 1 41 41 GLU HB3 H 1 2.205 0.05 . 2 . . . . . 41 GLU HB3 . 17092 1 383 . 1 1 41 41 GLU HG2 H 1 2.385 0.05 . 2 . . . . . 41 GLU HG2 . 17092 1 384 . 1 1 41 41 GLU HG3 H 1 2.312 0.05 . 2 . . . . . 41 GLU HG3 . 17092 1 385 . 1 1 41 41 GLU C C 13 175.473 0.5 . 1 . . . . . 41 GLU C . 17092 1 386 . 1 1 41 41 GLU CA C 13 56.856 0.5 . 1 . . . . . 41 GLU CA . 17092 1 387 . 1 1 41 41 GLU CB C 13 31.868 0.5 . 1 . . . . . 41 GLU CB . 17092 1 388 . 1 1 41 41 GLU CG C 13 35.748 0.5 . 1 . . . . . 41 GLU CG . 17092 1 389 . 1 1 41 41 GLU N N 15 115.291 0.5 . 1 . . . . . 41 GLU N . 17092 1 390 . 1 1 42 42 CYS H H 1 7.629 0.05 . 1 . . . . . 42 CYS H . 17092 1 391 . 1 1 42 42 CYS HA H 1 2.919 0.05 . 1 . . . . . 42 CYS HA . 17092 1 392 . 1 1 42 42 CYS HB2 H 1 1.563 0.05 . 2 . . . . . 42 CYS HB2 . 17092 1 393 . 1 1 42 42 CYS HB3 H 1 1.563 0.05 . 2 . . . . . 42 CYS HB3 . 17092 1 394 . 1 1 42 42 CYS CA C 13 55.861 0.5 . 1 . . . . . 42 CYS CA . 17092 1 395 . 1 1 42 42 CYS CB C 13 27.562 0.5 . 1 . . . . . 42 CYS CB . 17092 1 396 . 1 1 42 42 CYS N N 15 117.545 0.5 . 1 . . . . . 42 CYS N . 17092 1 397 . 1 1 43 43 PRO HA H 1 4.382 0.05 . 1 . . . . . 43 PRO HA . 17092 1 398 . 1 1 43 43 PRO HB2 H 1 1.733 0.05 . 2 . . . . . 43 PRO HB2 . 17092 1 399 . 1 1 43 43 PRO HB3 H 1 2.227 0.05 . 2 . . . . . 43 PRO HB3 . 17092 1 400 . 1 1 43 43 PRO HD2 H 1 2.958 0.05 . 2 . . . . . 43 PRO HD2 . 17092 1 401 . 1 1 43 43 PRO HD3 H 1 2.714 0.05 . 2 . . . . . 43 PRO HD3 . 17092 1 402 . 1 1 43 43 PRO HG2 H 1 1.824 0.05 . 2 . . . . . 43 PRO HG2 . 17092 1 403 . 1 1 43 43 PRO HG3 H 1 1.548 0.05 . 2 . . . . . 43 PRO HG3 . 17092 1 404 . 1 1 43 43 PRO C C 13 175.654 0.5 . 1 . . . . . 43 PRO C . 17092 1 405 . 1 1 43 43 PRO CA C 13 64.024 0.5 . 1 . . . . . 43 PRO CA . 17092 1 406 . 1 1 43 43 PRO CB C 13 31.697 0.5 . 1 . . . . . 43 PRO CB . 17092 1 407 . 1 1 43 43 PRO CD C 13 50.254 0.5 . 1 . . . . . 43 PRO CD . 17092 1 408 . 1 1 43 43 PRO CG C 13 27.434 0.5 . 1 . . . . . 43 PRO CG . 17092 1 409 . 1 1 44 44 LEU H H 1 7.438 0.05 . 1 . . . . . 44 LEU H . 17092 1 410 . 1 1 44 44 LEU HA H 1 4.65 0.05 . 1 . . . . . 44 LEU HA . 17092 1 411 . 1 1 44 44 LEU HB2 H 1 1.249 0.05 . 2 . . . . . 44 LEU HB2 . 17092 1 412 . 1 1 44 44 LEU HB3 H 1 1.449 0.05 . 2 . . . . . 44 LEU HB3 . 17092 1 413 . 1 1 44 44 LEU HD11 H 1 0.414 0.05 . 2 . . . . . 44 LEU HD1 . 17092 1 414 . 1 1 44 44 LEU HD12 H 1 0.414 0.05 . 2 . . . . . 44 LEU HD1 . 17092 1 415 . 1 1 44 44 LEU HD13 H 1 0.414 0.05 . 2 . . . . . 44 LEU HD1 . 17092 1 416 . 1 1 44 44 LEU HD21 H 1 0.725 0.05 . 2 . . . . . 44 LEU HD2 . 17092 1 417 . 1 1 44 44 LEU HD22 H 1 0.725 0.05 . 2 . . . . . 44 LEU HD2 . 17092 1 418 . 1 1 44 44 LEU HD23 H 1 0.725 0.05 . 2 . . . . . 44 LEU HD2 . 17092 1 419 . 1 1 44 44 LEU HG H 1 1.536 0.05 . 1 . . . . . 44 LEU HG . 17092 1 420 . 1 1 44 44 LEU C C 13 175.153 0.5 . 1 . . . . . 44 LEU C . 17092 1 421 . 1 1 44 44 LEU CA C 13 53.055 0.5 . 1 . . . . . 44 LEU CA . 17092 1 422 . 1 1 44 44 LEU CB C 13 43.638 0.5 . 1 . . . . . 44 LEU CB . 17092 1 423 . 1 1 44 44 LEU CD1 C 13 26.90 0.5 . 2 . . . . . 44 LEU CD1 . 17092 1 424 . 1 1 44 44 LEU CD2 C 13 23.33 0.5 . 2 . . . . . 44 LEU CD2 . 17092 1 425 . 1 1 44 44 LEU CG C 13 27.05 0.5 . 1 . . . . . 44 LEU CG . 17092 1 426 . 1 1 44 44 LEU N N 15 118.932 0.5 . 1 . . . . . 44 LEU N . 17092 1 427 . 1 1 45 45 SER H H 1 7.842 0.05 . 1 . . . . . 45 SER H . 17092 1 428 . 1 1 45 45 SER HA H 1 4.437 0.05 . 1 . . . . . 45 SER HA . 17092 1 429 . 1 1 45 45 SER HB2 H 1 4.305 0.05 . 2 . . . . . 45 SER HB2 . 17092 1 430 . 1 1 45 45 SER HB3 H 1 3.974 0.05 . 2 . . . . . 45 SER HB3 . 17092 1 431 . 1 1 45 45 SER C C 13 174.798 0.5 . 1 . . . . . 45 SER C . 17092 1 432 . 1 1 45 45 SER CA C 13 56.716 0.5 . 1 . . . . . 45 SER CA . 17092 1 433 . 1 1 45 45 SER CB C 13 65.460 0.5 . 1 . . . . . 45 SER CB . 17092 1 434 . 1 1 45 45 SER N N 15 116.305 0.5 . 1 . . . . . 45 SER N . 17092 1 435 . 1 1 46 46 GLN H H 1 9.116 0.05 . 1 . . . . . 46 GLN H . 17092 1 436 . 1 1 46 46 GLN HA H 1 3.681 0.05 . 1 . . . . . 46 GLN HA . 17092 1 437 . 1 1 46 46 GLN HB2 H 1 1.995 0.05 . 2 . . . . . 46 GLN HB2 . 17092 1 438 . 1 1 46 46 GLN HB3 H 1 1.995 0.05 . 2 . . . . . 46 GLN HB3 . 17092 1 439 . 1 1 46 46 GLN HE21 H 1 6.795 0.05 . 2 . . . . . 46 GLN HE21 . 17092 1 440 . 1 1 46 46 GLN HE22 H 1 7.559 0.05 . 2 . . . . . 46 GLN HE22 . 17092 1 441 . 1 1 46 46 GLN HG2 H 1 2.272 0.05 . 2 . . . . . 46 GLN HG2 . 17092 1 442 . 1 1 46 46 GLN HG3 H 1 2.272 0.05 . 2 . . . . . 46 GLN HG3 . 17092 1 443 . 1 1 46 46 GLN C C 13 177.986 0.5 . 1 . . . . . 46 GLN C . 17092 1 444 . 1 1 46 46 GLN CA C 13 60.583 0.5 . 1 . . . . . 46 GLN CA . 17092 1 445 . 1 1 46 46 GLN CB C 13 28.134 0.5 . 1 . . . . . 46 GLN CB . 17092 1 446 . 1 1 46 46 GLN CG C 13 34.395 0.5 . 1 . . . . . 46 GLN CG . 17092 1 447 . 1 1 46 46 GLN N N 15 120.751 0.5 . 1 . . . . . 46 GLN N . 17092 1 448 . 1 1 46 46 GLN NE2 N 15 111.90 0.5 . 1 . . . . . 46 GLN NE2 . 17092 1 449 . 1 1 47 47 SER H H 1 8.397 0.05 . 1 . . . . . 47 SER H . 17092 1 450 . 1 1 47 47 SER HA H 1 4.091 0.05 . 1 . . . . . 47 SER HA . 17092 1 451 . 1 1 47 47 SER HB2 H 1 3.783 0.05 . 2 . . . . . 47 SER HB2 . 17092 1 452 . 1 1 47 47 SER HB3 H 1 3.783 0.05 . 2 . . . . . 47 SER HB3 . 17092 1 453 . 1 1 47 47 SER C C 13 177.293 0.5 . 1 . . . . . 47 SER C . 17092 1 454 . 1 1 47 47 SER CA C 13 61.097 0.5 . 1 . . . . . 47 SER CA . 17092 1 455 . 1 1 47 47 SER CB C 13 62.426 0.5 . 1 . . . . . 47 SER CB . 17092 1 456 . 1 1 47 47 SER N N 15 112.912 0.5 . 1 . . . . . 47 SER N . 17092 1 457 . 1 1 48 48 MET H H 1 7.622 0.05 . 1 . . . . . 48 MET H . 17092 1 458 . 1 1 48 48 MET HA H 1 4.024 0.05 . 1 . . . . . 48 MET HA . 17092 1 459 . 1 1 48 48 MET HB2 H 1 2.494 0.05 . 2 . . . . . 48 MET HB2 . 17092 1 460 . 1 1 48 48 MET HB3 H 1 2.553 0.05 . 2 . . . . . 48 MET HB3 . 17092 1 461 . 1 1 48 48 MET HE1 H 1 2.175 0.05 . 2 . . . . . 48 MET HE . 17092 1 462 . 1 1 48 48 MET HE2 H 1 2.175 0.05 . 2 . . . . . 48 MET HE . 17092 1 463 . 1 1 48 48 MET HE3 H 1 2.175 0.05 . 2 . . . . . 48 MET HE . 17092 1 464 . 1 1 48 48 MET HG2 H 1 2.174 0.05 . 2 . . . . . 48 MET HG2 . 17092 1 465 . 1 1 48 48 MET HG3 H 1 2.174 0.05 . 2 . . . . . 48 MET HG3 . 17092 1 466 . 1 1 48 48 MET C C 13 177.796 0.5 . 1 . . . . . 48 MET C . 17092 1 467 . 1 1 48 48 MET CA C 13 59.074 0.5 . 1 . . . . . 48 MET CA . 17092 1 468 . 1 1 48 48 MET CB C 13 33.177 0.5 . 1 . . . . . 48 MET CB . 17092 1 469 . 1 1 48 48 MET CE C 13 17.75 0.5 . 1 . . . . . 48 MET CE . 17092 1 470 . 1 1 48 48 MET CG C 13 33.133 0.5 . 1 . . . . . 48 MET CG . 17092 1 471 . 1 1 48 48 MET N N 15 123.332 0.5 . 1 . . . . . 48 MET N . 17092 1 472 . 1 1 49 49 ILE H H 1 8.305 0.05 . 1 . . . . . 49 ILE H . 17092 1 473 . 1 1 49 49 ILE HA H 1 3.194 0.05 . 1 . . . . . 49 ILE HA . 17092 1 474 . 1 1 49 49 ILE HB H 1 1.779 0.05 . 1 . . . . . 49 ILE HB . 17092 1 475 . 1 1 49 49 ILE HD11 H 1 0.537 0.05 . 2 . . . . . 49 ILE HD1 . 17092 1 476 . 1 1 49 49 ILE HD12 H 1 0.537 0.05 . 2 . . . . . 49 ILE HD1 . 17092 1 477 . 1 1 49 49 ILE HD13 H 1 0.537 0.05 . 2 . . . . . 49 ILE HD1 . 17092 1 478 . 1 1 49 49 ILE HG12 H 1 0.586 0.05 . 2 . . . . . 49 ILE HG12 . 17092 1 479 . 1 1 49 49 ILE HG13 H 1 1.629 0.05 . 2 . . . . . 49 ILE HG13 . 17092 1 480 . 1 1 49 49 ILE HG21 H 1 0.767 0.05 . 2 . . . . . 49 ILE HG2 . 17092 1 481 . 1 1 49 49 ILE HG22 H 1 0.767 0.05 . 2 . . . . . 49 ILE HG2 . 17092 1 482 . 1 1 49 49 ILE HG23 H 1 0.767 0.05 . 2 . . . . . 49 ILE HG2 . 17092 1 483 . 1 1 49 49 ILE C C 13 177.177 0.5 . 1 . . . . . 49 ILE C . 17092 1 484 . 1 1 49 49 ILE CA C 13 66.429 0.5 . 1 . . . . . 49 ILE CA . 17092 1 485 . 1 1 49 49 ILE CB C 13 38.457 0.5 . 1 . . . . . 49 ILE CB . 17092 1 486 . 1 1 49 49 ILE CD1 C 13 13.600 0.5 . 1 . . . . . 49 ILE CD1 . 17092 1 487 . 1 1 49 49 ILE CG1 C 13 29.577 0.5 . 2 . . . . . 49 ILE CG1 . 17092 1 488 . 1 1 49 49 ILE CG2 C 13 17.056 0.5 . 2 . . . . . 49 ILE CG2 . 17092 1 489 . 1 1 49 49 ILE N N 15 119.136 0.5 . 1 . . . . . 49 ILE N . 17092 1 490 . 1 1 50 50 SER H H 1 8.097 0.05 . 1 . . . . . 50 SER H . 17092 1 491 . 1 1 50 50 SER HA H 1 3.979 0.05 . 1 . . . . . 50 SER HA . 17092 1 492 . 1 1 50 50 SER HB2 H 1 3.875 0.05 . 2 . . . . . 50 SER HB2 . 17092 1 493 . 1 1 50 50 SER HB3 H 1 3.875 0.05 . 2 . . . . . 50 SER HB3 . 17092 1 494 . 1 1 50 50 SER C C 13 176.776 0.5 . 1 . . . . . 50 SER C . 17092 1 495 . 1 1 50 50 SER CA C 13 61.749 0.5 . 1 . . . . . 50 SER CA . 17092 1 496 . 1 1 50 50 SER CB C 13 63.060 0.5 . 1 . . . . . 50 SER CB . 17092 1 497 . 1 1 50 50 SER N N 15 112.353 0.5 . 1 . . . . . 50 SER N . 17092 1 498 . 1 1 51 51 SER H H 1 7.901 0.05 . 1 . . . . . 51 SER H . 17092 1 499 . 1 1 51 51 SER HA H 1 4.114 0.05 . 1 . . . . . 51 SER HA . 17092 1 500 . 1 1 51 51 SER HB2 H 1 3.595 0.05 . 2 . . . . . 51 SER HB2 . 17092 1 501 . 1 1 51 51 SER HB3 H 1 3.804 0.05 . 2 . . . . . 51 SER HB3 . 17092 1 502 . 1 1 51 51 SER C C 13 176.255 0.5 . 1 . . . . . 51 SER C . 17092 1 503 . 1 1 51 51 SER CA C 13 62.475 0.5 . 1 . . . . . 51 SER CA . 17092 1 504 . 1 1 51 51 SER CB C 13 63.012 0.5 . 1 . . . . . 51 SER CB . 17092 1 505 . 1 1 51 51 SER N N 15 115.934 0.5 . 1 . . . . . 51 SER N . 17092 1 506 . 1 1 52 52 ILE H H 1 7.987 0.05 . 1 . . . . . 52 ILE H . 17092 1 507 . 1 1 52 52 ILE HA H 1 3.652 0.05 . 1 . . . . . 52 ILE HA . 17092 1 508 . 1 1 52 52 ILE HB H 1 1.606 0.05 . 1 . . . . . 52 ILE HB . 17092 1 509 . 1 1 52 52 ILE HD11 H 1 0.513 0.05 . 2 . . . . . 52 ILE HD1 . 17092 1 510 . 1 1 52 52 ILE HD12 H 1 0.513 0.05 . 2 . . . . . 52 ILE HD1 . 17092 1 511 . 1 1 52 52 ILE HD13 H 1 0.513 0.05 . 2 . . . . . 52 ILE HD1 . 17092 1 512 . 1 1 52 52 ILE HG12 H 1 0.737 0.05 . 2 . . . . . 52 ILE HG12 . 17092 1 513 . 1 1 52 52 ILE HG13 H 1 1.685 0.05 . 2 . . . . . 52 ILE HG13 . 17092 1 514 . 1 1 52 52 ILE HG21 H 1 0.647 0.05 . 2 . . . . . 52 ILE HG2 . 17092 1 515 . 1 1 52 52 ILE HG22 H 1 0.647 0.05 . 2 . . . . . 52 ILE HG2 . 17092 1 516 . 1 1 52 52 ILE HG23 H 1 0.647 0.05 . 2 . . . . . 52 ILE HG2 . 17092 1 517 . 1 1 52 52 ILE C C 13 178.410 0.5 . 1 . . . . . 52 ILE C . 17092 1 518 . 1 1 52 52 ILE CA C 13 64.840 0.5 . 1 . . . . . 52 ILE CA . 17092 1 519 . 1 1 52 52 ILE CB C 13 37.902 0.5 . 1 . . . . . 52 ILE CB . 17092 1 520 . 1 1 52 52 ILE CD1 C 13 14.061 0.5 . 1 . . . . . 52 ILE CD1 . 17092 1 521 . 1 1 52 52 ILE CG1 C 13 29.069 0.5 . 2 . . . . . 52 ILE CG1 . 17092 1 522 . 1 1 52 52 ILE CG2 C 13 17.717 0.5 . 2 . . . . . 52 ILE CG2 . 17092 1 523 . 1 1 52 52 ILE N N 15 120.449 0.5 . 1 . . . . . 52 ILE N . 17092 1 524 . 1 1 53 53 VAL H H 1 8.303 0.05 . 1 . . . . . 53 VAL H . 17092 1 525 . 1 1 53 53 VAL HA H 1 3.654 0.05 . 1 . . . . . 53 VAL HA . 17092 1 526 . 1 1 53 53 VAL HB H 1 2.054 0.05 . 1 . . . . . 53 VAL HB . 17092 1 527 . 1 1 53 53 VAL HG11 H 1 0.902 0.05 . 2 . . . . . 53 VAL HG1 . 17092 1 528 . 1 1 53 53 VAL HG12 H 1 0.902 0.05 . 2 . . . . . 53 VAL HG1 . 17092 1 529 . 1 1 53 53 VAL HG13 H 1 0.902 0.05 . 2 . . . . . 53 VAL HG1 . 17092 1 530 . 1 1 53 53 VAL HG21 H 1 0.8375 0.05 . 2 . . . . . 53 VAL HG2 . 17092 1 531 . 1 1 53 53 VAL HG22 H 1 0.8375 0.05 . 2 . . . . . 53 VAL HG2 . 17092 1 532 . 1 1 53 53 VAL HG23 H 1 0.8375 0.05 . 2 . . . . . 53 VAL HG2 . 17092 1 533 . 1 1 53 53 VAL C C 13 177.313 0.5 . 1 . . . . . 53 VAL C . 17092 1 534 . 1 1 53 53 VAL CA C 13 66.061 0.5 . 1 . . . . . 53 VAL CA . 17092 1 535 . 1 1 53 53 VAL CB C 13 31.767 0.5 . 1 . . . . . 53 VAL CB . 17092 1 536 . 1 1 53 53 VAL CG1 C 13 21.96 0.5 . 2 . . . . . 53 VAL CG1 . 17092 1 537 . 1 1 53 53 VAL CG2 C 13 21.73 0.5 . 2 . . . . . 53 VAL CG2 . 17092 1 538 . 1 1 53 53 VAL N N 15 115.656 0.5 . 1 . . . . . 53 VAL N . 17092 1 539 . 1 1 54 54 ASN H H 1 7.984 0.05 . 1 . . . . . 54 ASN H . 17092 1 540 . 1 1 54 54 ASN HA H 1 4.760 0.05 . 1 . . . . . 54 ASN HA . 17092 1 541 . 1 1 54 54 ASN HB2 H 1 2.824 0.05 . 2 . . . . . 54 ASN HB2 . 17092 1 542 . 1 1 54 54 ASN HB3 H 1 2.824 0.05 . 2 . . . . . 54 ASN HB3 . 17092 1 543 . 1 1 54 54 ASN HD21 H 1 7.487 0.05 . 2 . . . . . 54 ASN HD21 . 17092 1 544 . 1 1 54 54 ASN HD22 H 1 6.961 0.05 . 2 . . . . . 54 ASN HD22 . 17092 1 545 . 1 1 54 54 ASN C C 13 175.078 0.5 . 1 . . . . . 54 ASN C . 17092 1 546 . 1 1 54 54 ASN CA C 13 54.273 0.5 . 1 . . . . . 54 ASN CA . 17092 1 547 . 1 1 54 54 ASN CB C 13 39.212 0.5 . 1 . . . . . 54 ASN CB . 17092 1 548 . 1 1 54 54 ASN N N 15 116.134 0.5 . 1 . . . . . 54 ASN N . 17092 1 549 . 1 1 54 54 ASN ND2 N 15 113.8 0.5 . 1 . . . . . 54 ASN ND2 . 17092 1 550 . 1 1 55 55 SER H H 1 7.520 0.05 . 1 . . . . . 55 SER H . 17092 1 551 . 1 1 55 55 SER HA H 1 4.507 0.05 . 1 . . . . . 55 SER HA . 17092 1 552 . 1 1 55 55 SER HB2 H 1 3.919 0.05 . 2 . . . . . 55 SER HB2 . 17092 1 553 . 1 1 55 55 SER HB3 H 1 3.919 0.05 . 2 . . . . . 55 SER HB3 . 17092 1 554 . 1 1 55 55 SER C C 13 174.080 0.5 . 1 . . . . . 55 SER C . 17092 1 555 . 1 1 55 55 SER CA C 13 58.103 0.5 . 1 . . . . . 55 SER CA . 17092 1 556 . 1 1 55 55 SER CB C 13 63.90 0.5 . 1 . . . . . 55 SER CB . 17092 1 557 . 1 1 55 55 SER N N 15 114.00 0.5 . 1 . . . . . 55 SER N . 17092 1 558 . 1 1 56 56 THR H H 1 8.246 0.05 . 1 . . . . . 56 THR H . 17092 1 559 . 1 1 56 56 THR HA H 1 4.091 0.05 . 1 . . . . . 56 THR HA . 17092 1 560 . 1 1 56 56 THR HB H 1 4.076 0.05 . 1 . . . . . 56 THR HB . 17092 1 561 . 1 1 56 56 THR HG21 H 1 1.018 0.05 . 1 . . . . . 56 THR HG2 . 17092 1 562 . 1 1 56 56 THR HG22 H 1 1.018 0.05 . 1 . . . . . 56 THR HG2 . 17092 1 563 . 1 1 56 56 THR HG23 H 1 1.018 0.05 . 1 . . . . . 56 THR HG2 . 17092 1 564 . 1 1 56 56 THR C C 13 174.230 0.5 . 1 . . . . . 56 THR C . 17092 1 565 . 1 1 56 56 THR CA C 13 62.240 0.5 . 1 . . . . . 56 THR CA . 17092 1 566 . 1 1 56 56 THR CB C 13 68.925 0.5 . 1 . . . . . 56 THR CB . 17092 1 567 . 1 1 56 56 THR CG2 C 13 21.633 0.5 . 1 . . . . . 56 THR CG2 . 17092 1 568 . 1 1 56 56 THR N N 15 113.388 0.5 . 1 . . . . . 56 THR N . 17092 1 569 . 1 1 57 57 TYR H H 1 7.847 0.05 . 1 . . . . . 57 TYR H . 17092 1 570 . 1 1 57 57 TYR HA H 1 4.385 0.05 . 1 . . . . . 57 TYR HA . 17092 1 571 . 1 1 57 57 TYR HB2 H 1 2.769 0.05 . 2 . . . . . 57 TYR HB2 . 17092 1 572 . 1 1 57 57 TYR HB3 H 1 2.889 0.05 . 2 . . . . . 57 TYR HB3 . 17092 1 573 . 1 1 57 57 TYR HD1 H 1 6.963 0.05 . 3 . . . . . 57 TYR HD1 . 17092 1 574 . 1 1 57 57 TYR HD2 H 1 6.963 0.05 . 3 . . . . . 57 TYR HD2 . 17092 1 575 . 1 1 57 57 TYR HE1 H 1 6.677 0.05 . 3 . . . . . 57 TYR HE1 . 17092 1 576 . 1 1 57 57 TYR HE2 H 1 6.677 0.05 . 3 . . . . . 57 TYR HE2 . 17092 1 577 . 1 1 57 57 TYR C C 13 175.132 0.5 . 1 . . . . . 57 TYR C . 17092 1 578 . 1 1 57 57 TYR CA C 13 57.924 0.5 . 1 . . . . . 57 TYR CA . 17092 1 579 . 1 1 57 57 TYR CB C 13 38.781 0.5 . 1 . . . . . 57 TYR CB . 17092 1 580 . 1 1 57 57 TYR CD1 C 13 133.0 0.5 . 3 . . . . . 57 TYR CD1 . 17092 1 581 . 1 1 57 57 TYR CD2 C 13 133.0 0.5 . 3 . . . . . 57 TYR CD2 . 17092 1 582 . 1 1 57 57 TYR CE1 C 13 118.1 0.5 . 3 . . . . . 57 TYR CE1 . 17092 1 583 . 1 1 57 57 TYR CE2 C 13 118.1 0.5 . 3 . . . . . 57 TYR CE2 . 17092 1 584 . 1 1 57 57 TYR N N 15 120.408 0.5 . 1 . . . . . 57 TYR N . 17092 1 585 . 1 1 58 58 TYR H H 1 7.667 0.05 . 1 . . . . . 58 TYR H . 17092 1 586 . 1 1 58 58 TYR HA H 1 4.288 0.05 . 1 . . . . . 58 TYR HA . 17092 1 587 . 1 1 58 58 TYR HB2 H 1 2.672 0.05 . 2 . . . . . 58 TYR HB2 . 17092 1 588 . 1 1 58 58 TYR HB3 H 1 2.669 0.05 . 2 . . . . . 58 TYR HB3 . 17092 1 589 . 1 1 58 58 TYR HD1 H 1 6.805 0.05 . 3 . . . . . 58 TYR HD1 . 17092 1 590 . 1 1 58 58 TYR HD2 H 1 6.805 0.05 . 3 . . . . . 58 TYR HD2 . 17092 1 591 . 1 1 58 58 TYR HE1 H 1 6.694 0.05 . 3 . . . . . 58 TYR HE1 . 17092 1 592 . 1 1 58 58 TYR HE2 H 1 6.694 0.05 . 3 . . . . . 58 TYR HE2 . 17092 1 593 . 1 1 58 58 TYR C C 13 175.093 0.5 . 1 . . . . . 58 TYR C . 17092 1 594 . 1 1 58 58 TYR CA C 13 57.726 0.5 . 1 . . . . . 58 TYR CA . 17092 1 595 . 1 1 58 58 TYR CB C 13 38.321 0.5 . 1 . . . . . 58 TYR CB . 17092 1 596 . 1 1 58 58 TYR CD1 C 13 132.7 0.5 . 3 . . . . . 58 TYR CD1 . 17092 1 597 . 1 1 58 58 TYR CD2 C 13 132.7 0.5 . 3 . . . . . 58 TYR CD2 . 17092 1 598 . 1 1 58 58 TYR CE1 C 13 118.2 0.5 . 3 . . . . . 58 TYR CE1 . 17092 1 599 . 1 1 58 58 TYR CE2 C 13 118.2 0.5 . 3 . . . . . 58 TYR CE2 . 17092 1 600 . 1 1 58 58 TYR N N 15 122.335 0.5 . 1 . . . . . 58 TYR N . 17092 1 601 . 1 1 59 59 ALA H H 1 7.258 0.05 . 1 . . . . . 59 ALA H . 17092 1 602 . 1 1 59 59 ALA HA H 1 3.929 0.05 . 1 . . . . . 59 ALA HA . 17092 1 603 . 1 1 59 59 ALA HB1 H 1 1.016 0.05 . 1 . . . . . 59 ALA HB . 17092 1 604 . 1 1 59 59 ALA HB2 H 1 1.016 0.05 . 1 . . . . . 59 ALA HB . 17092 1 605 . 1 1 59 59 ALA HB3 H 1 1.016 0.05 . 1 . . . . . 59 ALA HB . 17092 1 606 . 1 1 59 59 ALA C C 13 176.797 0.5 . 1 . . . . . 59 ALA C . 17092 1 607 . 1 1 59 59 ALA CA C 13 52.466 0.5 . 1 . . . . . 59 ALA CA . 17092 1 608 . 1 1 59 59 ALA CB C 13 19.158 0.5 . 1 . . . . . 59 ALA CB . 17092 1 609 . 1 1 59 59 ALA N N 15 124.239 0.5 . 1 . . . . . 59 ALA N . 17092 1 610 . 1 1 60 60 ASN H H 1 7.622 0.05 . 1 . . . . . 60 ASN H . 17092 1 611 . 1 1 60 60 ASN HA H 1 4.542 0.05 . 1 . . . . . 60 ASN HA . 17092 1 612 . 1 1 60 60 ASN HB2 H 1 2.555 0.05 . 2 . . . . . 60 ASN HB2 . 17092 1 613 . 1 1 60 60 ASN HB3 H 1 2.732 0.05 . 2 . . . . . 60 ASN HB3 . 17092 1 614 . 1 1 60 60 ASN HD21 H 1 7.423 0.05 . 2 . . . . . 60 ASN HD21 . 17092 1 615 . 1 1 60 60 ASN HD22 H 1 6.811 0.05 . 2 . . . . . 60 ASN HD22 . 17092 1 616 . 1 1 60 60 ASN C C 13 174.486 0.5 . 1 . . . . . 60 ASN C . 17092 1 617 . 1 1 60 60 ASN CA C 13 52.958 0.5 . 1 . . . . . 60 ASN CA . 17092 1 618 . 1 1 60 60 ASN CB C 13 37.837 0.5 . 1 . . . . . 60 ASN CB . 17092 1 619 . 1 1 60 60 ASN N N 15 116.033 0.5 . 1 . . . . . 60 ASN N . 17092 1 620 . 1 1 60 60 ASN ND2 N 15 111.8 0.5 . 1 . . . . . 60 ASN ND2 . 17092 1 621 . 1 1 61 61 VAL H H 1 7.900 0.05 . 1 . . . . . 61 VAL H . 17092 1 622 . 1 1 61 61 VAL HA H 1 4.135 0.05 . 1 . . . . . 61 VAL HA . 17092 1 623 . 1 1 61 61 VAL HB H 1 1.936 0.05 . 1 . . . . . 61 VAL HB . 17092 1 624 . 1 1 61 61 VAL HG11 H 1 0.885 0.05 . 2 . . . . . 61 VAL HG1 . 17092 1 625 . 1 1 61 61 VAL HG12 H 1 0.885 0.05 . 2 . . . . . 61 VAL HG1 . 17092 1 626 . 1 1 61 61 VAL HG13 H 1 0.885 0.05 . 2 . . . . . 61 VAL HG1 . 17092 1 627 . 1 1 61 61 VAL HG21 H 1 0.885 0.05 . 2 . . . . . 61 VAL HG2 . 17092 1 628 . 1 1 61 61 VAL HG22 H 1 0.885 0.05 . 2 . . . . . 61 VAL HG2 . 17092 1 629 . 1 1 61 61 VAL HG23 H 1 0.885 0.05 . 2 . . . . . 61 VAL HG2 . 17092 1 630 . 1 1 61 61 VAL C C 13 175.085 0.5 . 1 . . . . . 61 VAL C . 17092 1 631 . 1 1 61 61 VAL CA C 13 61.668 0.5 . 1 . . . . . 61 VAL CA . 17092 1 632 . 1 1 61 61 VAL CB C 13 32.702 0.5 . 1 . . . . . 61 VAL CB . 17092 1 633 . 1 1 61 61 VAL CG1 C 13 21.43 0.5 . 2 . . . . . 61 VAL CG1 . 17092 1 634 . 1 1 61 61 VAL CG2 C 13 21.43 0.5 . 2 . . . . . 61 VAL CG2 . 17092 1 635 . 1 1 61 61 VAL N N 15 122.088 0.5 . 1 . . . . . 61 VAL N . 17092 1 636 . 1 1 62 62 SER H H 1 8.640 0.05 . 1 . . . . . 62 SER H . 17092 1 637 . 1 1 62 62 SER HA H 1 4.388 0.05 . 1 . . . . . 62 SER HA . 17092 1 638 . 1 1 62 62 SER HB2 H 1 4.057 0.05 . 2 . . . . . 62 SER HB2 . 17092 1 639 . 1 1 62 62 SER HB3 H 1 4.377 0.05 . 2 . . . . . 62 SER HB3 . 17092 1 640 . 1 1 62 62 SER C C 13 175.137 0.5 . 1 . . . . . 62 SER C . 17092 1 641 . 1 1 62 62 SER CA C 13 58.187 0.5 . 1 . . . . . 62 SER CA . 17092 1 642 . 1 1 62 62 SER CB C 13 64.87 0.5 . 1 . . . . . 62 SER CB . 17092 1 643 . 1 1 62 62 SER N N 15 124.689 0.5 . 1 . . . . . 62 SER N . 17092 1 644 . 1 1 63 63 ALA H H 1 9.045 0.05 . 1 . . . . . 63 ALA H . 17092 1 645 . 1 1 63 63 ALA HA H 1 4.167 0.05 . 1 . . . . . 63 ALA HA . 17092 1 646 . 1 1 63 63 ALA HB1 H 1 1.513 0.05 . 1 . . . . . 63 ALA HB . 17092 1 647 . 1 1 63 63 ALA HB2 H 1 1.513 0.05 . 1 . . . . . 63 ALA HB . 17092 1 648 . 1 1 63 63 ALA HB3 H 1 1.513 0.05 . 1 . . . . . 63 ALA HB . 17092 1 649 . 1 1 63 63 ALA C C 13 180.595 0.5 . 1 . . . . . 63 ALA C . 17092 1 650 . 1 1 63 63 ALA CA C 13 55.96 0.5 . 1 . . . . . 63 ALA CA . 17092 1 651 . 1 1 63 63 ALA CB C 13 17.695 0.5 . 1 . . . . . 63 ALA CB . 17092 1 652 . 1 1 63 63 ALA N N 15 125.907 0.5 . 1 . . . . . 63 ALA N . 17092 1 653 . 1 1 64 64 ALA H H 1 8.447 0.05 . 1 . . . . . 64 ALA H . 17092 1 654 . 1 1 64 64 ALA HA H 1 4.074 0.05 . 1 . . . . . 64 ALA HA . 17092 1 655 . 1 1 64 64 ALA HB1 H 1 1.404 0.05 . 1 . . . . . 64 ALA HB . 17092 1 656 . 1 1 64 64 ALA HB2 H 1 1.404 0.05 . 1 . . . . . 64 ALA HB . 17092 1 657 . 1 1 64 64 ALA HB3 H 1 1.404 0.05 . 1 . . . . . 64 ALA HB . 17092 1 658 . 1 1 64 64 ALA C C 13 181.159 0.5 . 1 . . . . . 64 ALA C . 17092 1 659 . 1 1 64 64 ALA CA C 13 55.466 0.5 . 1 . . . . . 64 ALA CA . 17092 1 660 . 1 1 64 64 ALA CB C 13 17.949 0.5 . 1 . . . . . 64 ALA CB . 17092 1 661 . 1 1 64 64 ALA N N 15 119.531 0.5 . 1 . . . . . 64 ALA N . 17092 1 662 . 1 1 65 65 LYS H H 1 7.920 0.05 . 1 . . . . . 65 LYS H . 17092 1 663 . 1 1 65 65 LYS HA H 1 4.151 0.05 . 1 . . . . . 65 LYS HA . 17092 1 664 . 1 1 65 65 LYS HB2 H 1 1.677 0.05 . 2 . . . . . 65 LYS HB2 . 17092 1 665 . 1 1 65 65 LYS HB3 H 1 2.081 0.05 . 2 . . . . . 65 LYS HB3 . 17092 1 666 . 1 1 65 65 LYS HD2 H 1 1.12 0.05 . 2 . . . . . 65 LYS HD2 . 17092 1 667 . 1 1 65 65 LYS HD3 H 1 1.425 0.05 . 2 . . . . . 65 LYS HD3 . 17092 1 668 . 1 1 65 65 LYS HE2 H 1 2.935 0.05 . 2 . . . . . 65 LYS HE2 . 17092 1 669 . 1 1 65 65 LYS HE3 H 1 2.935 0.05 . 2 . . . . . 65 LYS HE3 . 17092 1 670 . 1 1 65 65 LYS HG2 H 1 1.500 0.05 . 2 . . . . . 65 LYS HG2 . 17092 1 671 . 1 1 65 65 LYS HG3 H 1 1.445 0.05 . 2 . . . . . 65 LYS HG3 . 17092 1 672 . 1 1 65 65 LYS C C 13 179.485 0.5 . 1 . . . . . 65 LYS C . 17092 1 673 . 1 1 65 65 LYS CA C 13 57.729 0.5 . 1 . . . . . 65 LYS CA . 17092 1 674 . 1 1 65 65 LYS CB C 13 30.726 0.5 . 1 . . . . . 65 LYS CB . 17092 1 675 . 1 1 65 65 LYS CD C 13 27.38 0.5 . 1 . . . . . 65 LYS CD . 17092 1 676 . 1 1 65 65 LYS CE C 13 42.119 0.5 . 1 . . . . . 65 LYS CE . 17092 1 677 . 1 1 65 65 LYS CG C 13 24.655 0.5 . 1 . . . . . 65 LYS CG . 17092 1 678 . 1 1 65 65 LYS N N 15 120.121 0.5 . 1 . . . . . 65 LYS N . 17092 1 679 . 1 1 66 66 CYS H H 1 8.177 0.05 . 1 . . . . . 66 CYS H . 17092 1 680 . 1 1 66 66 CYS HA H 1 3.901 0.05 . 1 . . . . . 66 CYS HA . 17092 1 681 . 1 1 66 66 CYS HB2 H 1 2.358 0.05 . 2 . . . . . 66 CYS HB2 . 17092 1 682 . 1 1 66 66 CYS HB3 H 1 3.377 0.05 . 2 . . . . . 66 CYS HB3 . 17092 1 683 . 1 1 66 66 CYS C C 13 176.764 0.5 . 1 . . . . . 66 CYS C . 17092 1 684 . 1 1 66 66 CYS CA C 13 64.775 0.5 . 1 . . . . . 66 CYS CA . 17092 1 685 . 1 1 66 66 CYS CB C 13 26.493 0.5 . 1 . . . . . 66 CYS CB . 17092 1 686 . 1 1 66 66 CYS N N 15 118.973 0.5 . 1 . . . . . 66 CYS N . 17092 1 687 . 1 1 67 67 GLN H H 1 8.062 0.05 . 1 . . . . . 67 GLN H . 17092 1 688 . 1 1 67 67 GLN HA H 1 4.034 0.05 . 1 . . . . . 67 GLN HA . 17092 1 689 . 1 1 67 67 GLN HB2 H 1 2.046 0.05 . 2 . . . . . 67 GLN HB2 . 17092 1 690 . 1 1 67 67 GLN HB3 H 1 2.181 0.05 . 2 . . . . . 67 GLN HB3 . 17092 1 691 . 1 1 67 67 GLN HE21 H 1 7.053 0.05 . 2 . . . . . 67 GLN HE21 . 17092 1 692 . 1 1 67 67 GLN HE22 H 1 7.486 0.05 . 2 . . . . . 67 GLN HE22 . 17092 1 693 . 1 1 67 67 GLN HG2 H 1 2.595 0.05 . 2 . . . . . 67 GLN HG2 . 17092 1 694 . 1 1 67 67 GLN HG3 H 1 2.595 0.05 . 2 . . . . . 67 GLN HG3 . 17092 1 695 . 1 1 67 67 GLN C C 13 178.688 0.5 . 1 . . . . . 67 GLN C . 17092 1 696 . 1 1 67 67 GLN CA C 13 58.643 0.5 . 1 . . . . . 67 GLN CA . 17092 1 697 . 1 1 67 67 GLN CB C 13 27.602 0.5 . 1 . . . . . 67 GLN CB . 17092 1 698 . 1 1 67 67 GLN CG C 13 33.601 0.5 . 1 . . . . . 67 GLN CG . 17092 1 699 . 1 1 67 67 GLN N N 15 118.729 0.5 . 1 . . . . . 67 GLN N . 17092 1 700 . 1 1 67 67 GLN NE2 N 15 111.6 0.5 . 1 . . . . . 67 GLN NE2 . 17092 1 701 . 1 1 68 68 GLU H H 1 8.234 0.05 . 1 . . . . . 68 GLU H . 17092 1 702 . 1 1 68 68 GLU HA H 1 3.864 0.05 . 1 . . . . . 68 GLU HA . 17092 1 703 . 1 1 68 68 GLU HB2 H 1 2.118 0.05 . 2 . . . . . 68 GLU HB2 . 17092 1 704 . 1 1 68 68 GLU HB3 H 1 2.118 0.05 . 2 . . . . . 68 GLU HB3 . 17092 1 705 . 1 1 68 68 GLU HG2 H 1 2.112 0.05 . 2 . . . . . 68 GLU HG2 . 17092 1 706 . 1 1 68 68 GLU HG3 H 1 2.112 0.05 . 1 . . . . . 68 GLU HG3 . 17092 1 707 . 1 1 68 68 GLU C C 13 180.069 0.5 . 1 . . . . . 68 GLU C . 17092 1 708 . 1 1 68 68 GLU CA C 13 59.624 0.5 . 1 . . . . . 68 GLU CA . 17092 1 709 . 1 1 68 68 GLU CB C 13 29.994 0.5 . 1 . . . . . 68 GLU CB . 17092 1 710 . 1 1 68 68 GLU CG C 13 36.033 0.5 . 1 . . . . . 68 GLU CG . 17092 1 711 . 1 1 68 68 GLU N N 15 121.128 0.5 . 1 . . . . . 68 GLU N . 17092 1 712 . 1 1 69 69 PHE H H 1 8.636 0.05 . 1 . . . . . 69 PHE H . 17092 1 713 . 1 1 69 69 PHE HA H 1 3.803 0.05 . 1 . . . . . 69 PHE HA . 17092 1 714 . 1 1 69 69 PHE HB2 H 1 2.785 0.05 . 2 . . . . . 69 PHE HB2 . 17092 1 715 . 1 1 69 69 PHE HB3 H 1 3.284 0.05 . 2 . . . . . 69 PHE HB3 . 17092 1 716 . 1 1 69 69 PHE HD1 H 1 6.795 0.05 . 3 . . . . . 69 PHE HD1 . 17092 1 717 . 1 1 69 69 PHE HD2 H 1 6.795 0.05 . 3 . . . . . 69 PHE HD2 . 17092 1 718 . 1 1 69 69 PHE HE1 H 1 7.088 0.05 . 3 . . . . . 69 PHE HE1 . 17092 1 719 . 1 1 69 69 PHE HE2 H 1 7.088 0.05 . 3 . . . . . 69 PHE HE2 . 17092 1 720 . 1 1 69 69 PHE HZ H 1 7.072 0.05 . 1 . . . . . 69 PHE HZ . 17092 1 721 . 1 1 69 69 PHE C C 13 176.169 0.5 . 1 . . . . . 69 PHE C . 17092 1 722 . 1 1 69 69 PHE CA C 13 62.859 0.5 . 1 . . . . . 69 PHE CA . 17092 1 723 . 1 1 69 69 PHE CB C 13 38.44 0.5 . 1 . . . . . 69 PHE CB . 17092 1 724 . 1 1 69 69 PHE CD1 C 13 131.2 0.5 . 3 . . . . . 69 PHE CD1 . 17092 1 725 . 1 1 69 69 PHE CD2 C 13 131.2 0.5 . 3 . . . . . 69 PHE CD2 . 17092 1 726 . 1 1 69 69 PHE CE1 C 13 131.4 0.5 . 3 . . . . . 69 PHE CE1 . 17092 1 727 . 1 1 69 69 PHE CE2 C 13 131.4 0.5 . 3 . . . . . 69 PHE CE2 . 17092 1 728 . 1 1 69 69 PHE CZ C 13 129.00 0.5 . 1 . . . . . 69 PHE CZ . 17092 1 729 . 1 1 69 69 PHE N N 15 120.807 0.5 . 1 . . . . . 69 PHE N . 17092 1 730 . 1 1 70 70 GLY H H 1 8.181 0.05 . 1 . . . . . 70 GLY H . 17092 1 731 . 1 1 70 70 GLY HA2 H 1 1.798 0.05 . 2 . . . . . 70 GLY HA2 . 17092 1 732 . 1 1 70 70 GLY HA3 H 1 1.798 0.05 . 2 . . . . . 70 GLY HA3 . 17092 1 733 . 1 1 70 70 GLY C C 13 175.436 0.5 . 1 . . . . . 70 GLY C . 17092 1 734 . 1 1 70 70 GLY CA C 13 45.189 0.5 . 1 . . . . . 70 GLY CA . 17092 1 735 . 1 1 70 70 GLY N N 15 108.539 0.5 . 1 . . . . . 70 GLY N . 17092 1 736 . 1 1 71 71 ARG H H 1 7.804 0.05 . 1 . . . . . 71 ARG H . 17092 1 737 . 1 1 71 71 ARG HA H 1 3.84 0.05 . 1 . . . . . 71 ARG HA . 17092 1 738 . 1 1 71 71 ARG HB2 H 1 1.807 0.05 . 2 . . . . . 71 ARG HB2 . 17092 1 739 . 1 1 71 71 ARG HB3 H 1 1.842 0.05 . 2 . . . . . 71 ARG HB3 . 17092 1 740 . 1 1 71 71 ARG HD2 H 1 3.267 0.05 . 2 . . . . . 71 ARG HD2 . 17092 1 741 . 1 1 71 71 ARG HD3 H 1 3.154 0.05 . 2 . . . . . 71 ARG HD3 . 17092 1 742 . 1 1 71 71 ARG HG2 H 1 1.783 0.05 . 2 . . . . . 71 ARG HG2 . 17092 1 743 . 1 1 71 71 ARG HG3 H 1 1.525 0.05 . 2 . . . . . 71 ARG HG3 . 17092 1 744 . 1 1 71 71 ARG C C 13 178.768 0.5 . 1 . . . . . 71 ARG C . 17092 1 745 . 1 1 71 71 ARG CA C 13 60.134 0.5 . 1 . . . . . 71 ARG CA . 17092 1 746 . 1 1 71 71 ARG CB C 13 30.301 0.5 . 1 . . . . . 71 ARG CB . 17092 1 747 . 1 1 71 71 ARG CD C 13 43.534 0.5 . 1 . . . . . 71 ARG CD . 17092 1 748 . 1 1 71 71 ARG CG C 13 28.14 0.5 . 1 . . . . . 71 ARG CG . 17092 1 749 . 1 1 71 71 ARG N N 15 120.908 0.5 . 1 . . . . . 71 ARG N . 17092 1 750 . 1 1 72 72 TRP H H 1 7.731 0.05 . 1 . . . . . 72 TRP H . 17092 1 751 . 1 1 72 72 TRP HA H 1 4.047 0.05 . 1 . . . . . 72 TRP HA . 17092 1 752 . 1 1 72 72 TRP HB2 H 1 3.193 0.05 . 2 . . . . . 72 TRP HB2 . 17092 1 753 . 1 1 72 72 TRP HB3 H 1 3.193 0.05 . 2 . . . . . 72 TRP HB3 . 17092 1 754 . 1 1 72 72 TRP HD1 H 1 7.281 0.05 . 1 . . . . . 72 TRP HD1 . 17092 1 755 . 1 1 72 72 TRP HE1 H 1 10.26 0.05 . 1 . . . . . 72 TRP HE1 . 17092 1 756 . 1 1 72 72 TRP HE3 H 1 6.56 0.05 . 1 . . . . . 72 TRP HE3 . 17092 1 757 . 1 1 72 72 TRP HH2 H 1 6.247 0.05 . 1 . . . . . 72 TRP HH2 . 17092 1 758 . 1 1 72 72 TRP HZ2 H 1 6.345 0.05 . 1 . . . . . 72 TRP HZ2 . 17092 1 759 . 1 1 72 72 TRP HZ3 H 1 6.551 0.05 . 1 . . . . . 72 TRP HZ3 . 17092 1 760 . 1 1 72 72 TRP C C 13 177.263 0.5 . 1 . . . . . 72 TRP C . 17092 1 761 . 1 1 72 72 TRP CA C 13 61.51 0.5 . 1 . . . . . 72 TRP CA . 17092 1 762 . 1 1 72 72 TRP CB C 13 27.716 0.5 . 1 . . . . . 72 TRP CB . 17092 1 763 . 1 1 72 72 TRP CD1 C 13 127.48 0.5 . 1 . . . . . 72 TRP CD1 . 17092 1 764 . 1 1 72 72 TRP CE3 C 13 119.5 0.5 . 1 . . . . . 72 TRP CE3 . 17092 1 765 . 1 1 72 72 TRP CH2 C 13 123.1 0.5 . 1 . . . . . 72 TRP CH2 . 17092 1 766 . 1 1 72 72 TRP CZ2 C 13 114.3 0.5 . 1 . . . . . 72 TRP CZ2 . 17092 1 767 . 1 1 72 72 TRP CZ3 C 13 120.9 0.5 . 1 . . . . . 72 TRP CZ3 . 17092 1 768 . 1 1 72 72 TRP N N 15 121.281 0.5 . 1 . . . . . 72 TRP N . 17092 1 769 . 1 1 72 72 TRP NE1 N 15 132.19 0.5 . 1 . . . . . 72 TRP NE1 . 17092 1 770 . 1 1 73 73 TYR H H 1 9.004 0.05 . 1 . . . . . 73 TYR H . 17092 1 771 . 1 1 73 73 TYR HA H 1 2.840 0.05 . 1 . . . . . 73 TYR HA . 17092 1 772 . 1 1 73 73 TYR HB2 H 1 2.524 0.05 . 2 . . . . . 73 TYR HB2 . 17092 1 773 . 1 1 73 73 TYR HB3 H 1 2.347 0.05 . 2 . . . . . 73 TYR HB3 . 17092 1 774 . 1 1 73 73 TYR HD1 H 1 7.045 0.05 . 3 . . . . . 73 TYR HD1 . 17092 1 775 . 1 1 73 73 TYR HD2 H 1 7.045 0.05 . 3 . . . . . 73 TYR HD2 . 17092 1 776 . 1 1 73 73 TYR HE1 H 1 6.970 0.05 . 3 . . . . . 73 TYR HE1 . 17092 1 777 . 1 1 73 73 TYR HE2 H 1 6.970 0.05 . 3 . . . . . 73 TYR HE2 . 17092 1 778 . 1 1 73 73 TYR C C 13 176.632 0.5 . 1 . . . . . 73 TYR C . 17092 1 779 . 1 1 73 73 TYR CA C 13 61.352 0.5 . 1 . . . . . 73 TYR CA . 17092 1 780 . 1 1 73 73 TYR CB C 13 38.782 0.5 . 1 . . . . . 73 TYR CB . 17092 1 781 . 1 1 73 73 TYR CD1 C 13 132.8 0.5 . 3 . . . . . 73 TYR CD1 . 17092 1 782 . 1 1 73 73 TYR CD2 C 13 132.8 0.5 . 3 . . . . . 73 TYR CD2 . 17092 1 783 . 1 1 73 73 TYR CE1 C 13 119.4 0.5 . 3 . . . . . 73 TYR CE1 . 17092 1 784 . 1 1 73 73 TYR CE2 C 13 119.4 0.5 . 3 . . . . . 73 TYR CE2 . 17092 1 785 . 1 1 73 73 TYR N N 15 121.394 0.5 . 1 . . . . . 73 TYR N . 17092 1 786 . 1 1 74 74 LYS H H 1 7.718 0.05 . 1 . . . . . 74 LYS H . 17092 1 787 . 1 1 74 74 LYS HA H 1 3.733 0.05 . 1 . . . . . 74 LYS HA . 17092 1 788 . 1 1 74 74 LYS HB2 H 1 1.739 0.05 . 2 . . . . . 74 LYS HB2 . 17092 1 789 . 1 1 74 74 LYS HB3 H 1 1.849 0.05 . 2 . . . . . 74 LYS HB3 . 17092 1 790 . 1 1 74 74 LYS HD2 H 1 1.672 0.05 . 2 . . . . . 74 LYS HD2 . 17092 1 791 . 1 1 74 74 LYS HD3 H 1 1.672 0.05 . 2 . . . . . 74 LYS HD3 . 17092 1 792 . 1 1 74 74 LYS HE2 H 1 2.973 0.05 . 2 . . . . . 74 LYS HE2 . 17092 1 793 . 1 1 74 74 LYS HE3 H 1 2.973 0.05 . 2 . . . . . 74 LYS HE3 . 17092 1 794 . 1 1 74 74 LYS HG2 H 1 1.33 0.05 . 2 . . . . . 74 LYS HG2 . 17092 1 795 . 1 1 74 74 LYS HG3 H 1 1.487 0.05 . 2 . . . . . 74 LYS HG3 . 17092 1 796 . 1 1 74 74 LYS C C 13 178.250 0.5 . 1 . . . . . 74 LYS C . 17092 1 797 . 1 1 74 74 LYS CA C 13 59.12 0.5 . 1 . . . . . 74 LYS CA . 17092 1 798 . 1 1 74 74 LYS CB C 13 32.132 0.5 . 1 . . . . . 74 LYS CB . 17092 1 799 . 1 1 74 74 LYS CD C 13 29.87 0.5 . 1 . . . . . 74 LYS CD . 17092 1 800 . 1 1 74 74 LYS CE C 13 42.39 0.5 . 1 . . . . . 74 LYS CE . 17092 1 801 . 1 1 74 74 LYS CG C 13 24.98 0.5 . 1 . . . . . 74 LYS CG . 17092 1 802 . 1 1 74 74 LYS N N 15 116.614 0.5 . 1 . . . . . 74 LYS N . 17092 1 803 . 1 1 75 75 HIS H H 1 6.996 0.05 . 1 . . . . . 75 HIS H . 17092 1 804 . 1 1 75 75 HIS HA H 1 4.226 0.05 . 1 . . . . . 75 HIS HA . 17092 1 805 . 1 1 75 75 HIS HB2 H 1 3.003 0.05 . 2 . . . . . 75 HIS HB2 . 17092 1 806 . 1 1 75 75 HIS HB3 H 1 3.082 0.05 . 2 . . . . . 75 HIS HB3 . 17092 1 807 . 1 1 75 75 HIS C C 13 176.316 0.5 . 1 . . . . . 75 HIS C . 17092 1 808 . 1 1 75 75 HIS CA C 13 58.420 0.5 . 1 . . . . . 75 HIS CA . 17092 1 809 . 1 1 75 75 HIS CB C 13 29.731 0.5 . 1 . . . . . 75 HIS CB . 17092 1 810 . 1 1 75 75 HIS N N 15 116.154 0.5 . 1 . . . . . 75 HIS N . 17092 1 811 . 1 1 76 76 PHE H H 1 8.145 0.05 . 1 . . . . . 76 PHE H . 17092 1 812 . 1 1 76 76 PHE HA H 1 3.735 0.05 . 1 . . . . . 76 PHE HA . 17092 1 813 . 1 1 76 76 PHE HB2 H 1 1.812 0.05 . 2 . . . . . 76 PHE HB2 . 17092 1 814 . 1 1 76 76 PHE HB3 H 1 1.673 0.05 . 2 . . . . . 76 PHE HB3 . 17092 1 815 . 1 1 76 76 PHE HD1 H 1 6.75 0.05 . 3 . . . . . 76 PHE HD1 . 17092 1 816 . 1 1 76 76 PHE HD2 H 1 6.75 0.05 . 3 . . . . . 76 PHE HD2 . 17092 1 817 . 1 1 76 76 PHE HE1 H 1 7.25 0.05 . 3 . . . . . 76 PHE HE1 . 17092 1 818 . 1 1 76 76 PHE HE2 H 1 7.25 0.05 . 3 . . . . . 76 PHE HE2 . 17092 1 819 . 1 1 76 76 PHE C C 13 177.011 0.5 . 1 . . . . . 76 PHE C . 17092 1 820 . 1 1 76 76 PHE CA C 13 60.07 0.5 . 1 . . . . . 76 PHE CA . 17092 1 821 . 1 1 76 76 PHE CB C 13 38.97 0.5 . 1 . . . . . 76 PHE CB . 17092 1 822 . 1 1 76 76 PHE CD1 C 13 131.8 0.5 . 3 . . . . . 76 PHE CD1 . 17092 1 823 . 1 1 76 76 PHE CD2 C 13 131.8 0.5 . 3 . . . . . 76 PHE CD2 . 17092 1 824 . 1 1 76 76 PHE CE1 C 13 131.3 0.5 . 3 . . . . . 76 PHE CE1 . 17092 1 825 . 1 1 76 76 PHE CE2 C 13 131.3 0.5 . 3 . . . . . 76 PHE CE2 . 17092 1 826 . 1 1 76 76 PHE N N 15 123.096 0.5 . 1 . . . . . 76 PHE N . 17092 1 827 . 1 1 77 77 LYS H H 1 7.894 0.05 . 1 . . . . . 77 LYS H . 17092 1 828 . 1 1 77 77 LYS HA H 1 3.609 0.05 . 1 . . . . . 77 LYS HA . 17092 1 829 . 1 1 77 77 LYS HB2 H 1 1.276 0.05 . 2 . . . . . 77 LYS HB2 . 17092 1 830 . 1 1 77 77 LYS HB3 H 1 1.423 0.05 . 2 . . . . . 77 LYS HB3 . 17092 1 831 . 1 1 77 77 LYS HD2 H 1 1.396 0.05 . 2 . . . . . 77 LYS HD2 . 17092 1 832 . 1 1 77 77 LYS HD3 H 1 1.396 0.05 . 2 . . . . . 77 LYS HD3 . 17092 1 833 . 1 1 77 77 LYS HE2 H 1 2.76 0.05 . 2 . . . . . 77 LYS HE2 . 17092 1 834 . 1 1 77 77 LYS HE3 H 1 2.874 0.05 . 2 . . . . . 77 LYS HE3 . 17092 1 835 . 1 1 77 77 LYS HG2 H 1 0.91 0.05 . 2 . . . . . 77 LYS HG2 . 17092 1 836 . 1 1 77 77 LYS HG3 H 1 0.91 0.05 . 2 . . . . . 77 LYS HG3 . 17092 1 837 . 1 1 77 77 LYS C C 13 176.883 0.5 . 1 . . . . . 77 LYS C . 17092 1 838 . 1 1 77 77 LYS CA C 13 56.14 0.5 . 1 . . . . . 77 LYS CA . 17092 1 839 . 1 1 77 77 LYS CB C 13 31.323 0.5 . 1 . . . . . 77 LYS CB . 17092 1 840 . 1 1 77 77 LYS CD C 13 28.08 0.5 . 1 . . . . . 77 LYS CD . 17092 1 841 . 1 1 77 77 LYS CE C 13 41.73 0.5 . 1 . . . . . 77 LYS CE . 17092 1 842 . 1 1 77 77 LYS CG C 13 23.83 0.5 . 1 . . . . . 77 LYS CG . 17092 1 843 . 1 1 77 77 LYS N N 15 118.8 0.5 . 1 . . . . . 77 LYS N . 17092 1 844 . 1 1 78 78 LYS H H 1 7.362 0.05 . 1 . . . . . 78 LYS H . 17092 1 845 . 1 1 78 78 LYS HA H 1 3.991 0.05 . 1 . . . . . 78 LYS HA . 17092 1 846 . 1 1 78 78 LYS HB2 H 1 1.699 0.05 . 2 . . . . . 78 LYS HB2 . 17092 1 847 . 1 1 78 78 LYS HB3 H 1 1.699 0.05 . 2 . . . . . 78 LYS HB3 . 17092 1 848 . 1 1 78 78 LYS HD2 H 1 1.558 0.05 . 2 . . . . . 78 LYS HD2 . 17092 1 849 . 1 1 78 78 LYS HD3 H 1 1.559 0.05 . 2 . . . . . 78 LYS HD3 . 17092 1 850 . 1 1 78 78 LYS HE2 H 1 2.872 0.05 . 2 . . . . . 78 LYS HE2 . 17092 1 851 . 1 1 78 78 LYS HE3 H 1 2.872 0.05 . 2 . . . . . 78 LYS HE3 . 17092 1 852 . 1 1 78 78 LYS HG2 H 1 1.320 0.05 . 2 . . . . . 78 LYS HG2 . 17092 1 853 . 1 1 78 78 LYS HG3 H 1 1.267 0.05 . 2 . . . . . 78 LYS HG3 . 17092 1 854 . 1 1 78 78 LYS C C 13 177.630 0.5 . 1 . . . . . 78 LYS C . 17092 1 855 . 1 1 78 78 LYS CA C 13 57.769 0.5 . 1 . . . . . 78 LYS CA . 17092 1 856 . 1 1 78 78 LYS CB C 13 32.172 0.5 . 1 . . . . . 78 LYS CB . 17092 1 857 . 1 1 78 78 LYS CD C 13 29.108 0.5 . 1 . . . . . 78 LYS CD . 17092 1 858 . 1 1 78 78 LYS CE C 13 42.045 0.5 . 1 . . . . . 78 LYS CE . 17092 1 859 . 1 1 78 78 LYS CG C 13 24.705 0.5 . 1 . . . . . 78 LYS CG . 17092 1 860 . 1 1 78 78 LYS N N 15 119.919 0.5 . 1 . . . . . 78 LYS N . 17092 1 861 . 1 1 79 79 THR H H 1 7.678 0.05 . 1 . . . . . 79 THR H . 17092 1 862 . 1 1 79 79 THR HA H 1 4.049 0.05 . 1 . . . . . 79 THR HA . 17092 1 863 . 1 1 79 79 THR HB H 1 4.049 0.05 . 1 . . . . . 79 THR HB . 17092 1 864 . 1 1 79 79 THR HG21 H 1 1.014 0.05 . 2 . . . . . 79 THR HG2 . 17092 1 865 . 1 1 79 79 THR HG22 H 1 1.014 0.05 . 2 . . . . . 79 THR HG2 . 17092 1 866 . 1 1 79 79 THR HG23 H 1 1.014 0.05 . 2 . . . . . 79 THR HG2 . 17092 1 867 . 1 1 79 79 THR C C 13 175.375 0.5 . 1 . . . . . 79 THR C . 17092 1 868 . 1 1 79 79 THR CA C 13 63.019 0.5 . 1 . . . . . 79 THR CA . 17092 1 869 . 1 1 79 79 THR CB C 13 69.576 0.5 . 1 . . . . . 79 THR CB . 17092 1 870 . 1 1 79 79 THR CG2 C 13 21.581 0.5 . 1 . . . . . 79 THR CG2 . 17092 1 871 . 1 1 79 79 THR N N 15 113.086 0.5 . 1 . . . . . 79 THR N . 17092 1 872 . 1 1 80 80 LYS H H 1 7.880 0.05 . 1 . . . . . 80 LYS H . 17092 1 873 . 1 1 80 80 LYS HA H 1 4.062 0.05 . 1 . . . . . 80 LYS HA . 17092 1 874 . 1 1 80 80 LYS HB2 H 1 1.618 0.05 . 2 . . . . . 80 LYS HB2 . 17092 1 875 . 1 1 80 80 LYS HB3 H 1 1.501 0.05 . 2 . . . . . 80 LYS HB3 . 17092 1 876 . 1 1 80 80 LYS HD2 H 1 1.459 0.05 . 2 . . . . . 80 LYS HD2 . 17092 1 877 . 1 1 80 80 LYS HD3 H 1 1.459 0.05 . 2 . . . . . 80 LYS HD3 . 17092 1 878 . 1 1 80 80 LYS HE2 H 1 2.810 0.05 . 2 . . . . . 80 LYS HE2 . 17092 1 879 . 1 1 80 80 LYS HE3 H 1 2.805 0.05 . 2 . . . . . 80 LYS HE3 . 17092 1 880 . 1 1 80 80 LYS HG2 H 1 1.175 0.05 . 2 . . . . . 80 LYS HG2 . 17092 1 881 . 1 1 80 80 LYS HG3 H 1 1.175 0.05 . 2 . . . . . 80 LYS HG3 . 17092 1 882 . 1 1 80 80 LYS C C 13 176.698 0.5 . 1 . . . . . 80 LYS C . 17092 1 883 . 1 1 80 80 LYS CA C 13 56.885 0.5 . 1 . . . . . 80 LYS CA . 17092 1 884 . 1 1 80 80 LYS CB C 13 32.419 0.5 . 1 . . . . . 80 LYS CB . 17092 1 885 . 1 1 80 80 LYS CD C 13 28.722 0.5 . 1 . . . . . 80 LYS CD . 17092 1 886 . 1 1 80 80 LYS CE C 13 42.023 0.5 . 1 . . . . . 80 LYS CE . 17092 1 887 . 1 1 80 80 LYS CG C 13 24.137 0.5 . 1 . . . . . 80 LYS CG . 17092 1 888 . 1 1 80 80 LYS N N 15 122.246 0.5 . 1 . . . . . 80 LYS N . 17092 1 889 . 1 1 81 81 ASP H H 1 8.019 0.05 . 1 . . . . . 81 ASP H . 17092 1 890 . 1 1 81 81 ASP HA H 1 4.483 0.05 . 1 . . . . . 81 ASP HA . 17092 1 891 . 1 1 81 81 ASP HB2 H 1 2.535 0.05 . 2 . . . . . 81 ASP HB2 . 17092 1 892 . 1 1 81 81 ASP HB3 H 1 2.645 0.05 . 2 . . . . . 81 ASP HB3 . 17092 1 893 . 1 1 81 81 ASP C C 13 176.049 0.5 . 1 . . . . . 81 ASP C . 17092 1 894 . 1 1 81 81 ASP CA C 13 54.916 0.5 . 1 . . . . . 81 ASP CA . 17092 1 895 . 1 1 81 81 ASP CB C 13 40.860 0.5 . 1 . . . . . 81 ASP CB . 17092 1 896 . 1 1 81 81 ASP N N 15 119.761 0.5 . 1 . . . . . 81 ASP N . 17092 1 897 . 1 1 82 82 MET H H 1 7.893 0.05 . 1 . . . . . 82 MET H . 17092 1 898 . 1 1 82 82 MET HA H 1 4.380 0.05 . 1 . . . . . 82 MET HA . 17092 1 899 . 1 1 82 82 MET HB2 H 1 2.075 0.05 . 2 . . . . . 82 MET HB2 . 17092 1 900 . 1 1 82 82 MET HB3 H 1 1.919 0.05 . 2 . . . . . 82 MET HB3 . 17092 1 901 . 1 1 82 82 MET HE1 H 1 2.015 0.05 . 1 . . . . . 82 MET HE . 17092 1 902 . 1 1 82 82 MET HE2 H 1 2.015 0.05 . 1 . . . . . 82 MET HE . 17092 1 903 . 1 1 82 82 MET HE3 H 1 2.015 0.05 . 1 . . . . . 82 MET HE . 17092 1 904 . 1 1 82 82 MET HG2 H 1 2.53 0.05 . 2 . . . . . 82 MET HG2 . 17092 1 905 . 1 1 82 82 MET HG3 H 1 2.456 0.05 . 2 . . . . . 82 MET HG3 . 17092 1 906 . 1 1 82 82 MET CA C 13 55.750 0.5 . 1 . . . . . 82 MET CA . 17092 1 907 . 1 1 82 82 MET CB C 13 32.865 0.5 . 1 . . . . . 82 MET CB . 17092 1 908 . 1 1 82 82 MET CE C 13 16.69 0.5 . 1 . . . . . 82 MET CE . 17092 1 909 . 1 1 82 82 MET CG C 13 31.98 0.5 . 1 . . . . . 82 MET CG . 17092 1 910 . 1 1 82 82 MET N N 15 119.386 0.5 . 1 . . . . . 82 MET N . 17092 1 911 . 1 1 83 83 MET H H 1 7.788 0.05 . 1 . . . . . 83 MET H . 17092 1 912 . 1 1 83 83 MET HA H 1 4.19 0.05 . 1 . . . . . 83 MET HA . 17092 1 913 . 1 1 83 83 MET HB2 H 1 2.028 0.05 . 2 . . . . . 83 MET HB2 . 17092 1 914 . 1 1 83 83 MET HB3 H 1 1.892 0.05 . 2 . . . . . 83 MET HB3 . 17092 1 915 . 1 1 83 83 MET HE1 H 1 2.01 0.05 . 1 . . . . . 83 MET HE . 17092 1 916 . 1 1 83 83 MET HE2 H 1 2.01 0.05 . 1 . . . . . 83 MET HE . 17092 1 917 . 1 1 83 83 MET HE3 H 1 2.01 0.05 . 1 . . . . . 83 MET HE . 17092 1 918 . 1 1 83 83 MET HG2 H 1 2.501 0.05 . 2 . . . . . 83 MET HG2 . 17092 1 919 . 1 1 83 83 MET HG3 H 1 2.432 0.05 . 2 . . . . . 83 MET HG3 . 17092 1 920 . 1 1 83 83 MET CA C 13 57.46 0.5 . 1 . . . . . 83 MET CA . 17092 1 921 . 1 1 83 83 MET CB C 13 33.5 0.5 . 1 . . . . . 83 MET CB . 17092 1 922 . 1 1 83 83 MET CE C 13 16.8 0.5 . 1 . . . . . 83 MET CE . 17092 1 923 . 1 1 83 83 MET CG C 13 32.24 0.5 . 1 . . . . . 83 MET CG . 17092 1 924 . 1 1 83 83 MET N N 15 126.00 0.5 . 1 . . . . . 83 MET N . 17092 1 stop_ save_