################################### # 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 18670 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18670 1 2 '3D CBCA(CO)NH' . . . 18670 1 3 '3D HNCACB' . . . 18670 1 4 '3D (H)CCH-TOCSY' . . . 18670 1 5 '3D 1H-15N TOCSY' . . . 18670 1 6 '2D 1H-13C HSQC aliphatic' . . . 18670 1 7 '3D 1H-15N NOESY' . . . 18670 1 8 '3D HNCA' . . . 18670 1 9 '3D HNCO' . . . 18670 1 10 '3D C(CO)NH' . . . 18670 1 11 '2D 1H-13C HSQC aromatic' . . . 18670 1 12 '3D 1H-13C NOESY aromatic' . . . 18670 1 13 '3D HCCH-TOCSY' . . . 18670 1 14 '3D HCCH-COSY' . . . 18670 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER C C 13 171.429 0 . 1 . . . A -1 SER C . 18670 1 2 . 1 1 1 1 SER CA C 13 57.352 0.07 . 1 . . . A -1 SER CA . 18670 1 3 . 1 1 1 1 SER CB C 13 63.312 0 . 1 . . . A -1 SER CB . 18670 1 4 . 1 1 2 2 VAL H H 1 8.665 0.004 . 1 . . . A 0 VAL H . 18670 1 5 . 1 1 2 2 VAL HA H 1 4.136 0.003 . 1 . . . A 0 VAL HA . 18670 1 6 . 1 1 2 2 VAL HB H 1 2.101 0.002 . 1 . . . A 0 VAL HB . 18670 1 7 . 1 1 2 2 VAL HG21 H 1 0.902 0.005 . 1 . . . A 0 VAL HG21 . 18670 1 8 . 1 1 2 2 VAL HG22 H 1 0.902 0.005 . 1 . . . A 0 VAL HG22 . 18670 1 9 . 1 1 2 2 VAL HG23 H 1 0.902 0.005 . 1 . . . A 0 VAL HG23 . 18670 1 10 . 1 1 2 2 VAL C C 13 175.66 0 . 1 . . . A 0 VAL C . 18670 1 11 . 1 1 2 2 VAL CA C 13 62.898 0.039 . 1 . . . A 0 VAL CA . 18670 1 12 . 1 1 2 2 VAL CB C 13 32.565 0.026 . 1 . . . A 0 VAL CB . 18670 1 13 . 1 1 2 2 VAL CG2 C 13 20.566 0.224 . 1 . . . A 0 VAL CG2 . 18670 1 14 . 1 1 2 2 VAL N N 15 119.992 0.023 . 1 . . . A 0 VAL N . 18670 1 15 . 1 1 3 3 ASP H H 1 8.414 0.001 . 1 . . . A 1 ASP H . 18670 1 16 . 1 1 3 3 ASP HA H 1 4.646 0.002 . 1 . . . A 1 ASP HA . 18670 1 17 . 1 1 3 3 ASP HB2 H 1 2.703 0.003 . 2 . . . A 1 ASP HB2 . 18670 1 18 . 1 1 3 3 ASP HB3 H 1 2.608 0.003 . 2 . . . A 1 ASP HB3 . 18670 1 19 . 1 1 3 3 ASP C C 13 175.989 0 . 1 . . . A 1 ASP C . 18670 1 20 . 1 1 3 3 ASP CA C 13 54.562 0.096 . 1 . . . A 1 ASP CA . 18670 1 21 . 1 1 3 3 ASP CB C 13 41.35 0.046 . 1 . . . A 1 ASP CB . 18670 1 22 . 1 1 3 3 ASP N N 15 122.533 0.009 . 1 . . . A 1 ASP N . 18670 1 23 . 1 1 4 4 SER H H 1 8.072 0.001 . 1 . . . A 2 SER H . 18670 1 24 . 1 1 4 4 SER HA H 1 4.792 0 . 1 . . . A 2 SER HA . 18670 1 25 . 1 1 4 4 SER HB2 H 1 4.418 0 . 2 . . . A 2 SER HB2 . 18670 1 26 . 1 1 4 4 SER HB3 H 1 3.839 0 . 2 . . . A 2 SER HB3 . 18670 1 27 . 1 1 4 4 SER C C 13 173.897 0 . 1 . . . A 2 SER C . 18670 1 28 . 1 1 4 4 SER CA C 13 58.39 0.1 . 1 . . . A 2 SER CA . 18670 1 29 . 1 1 4 4 SER CB C 13 64.097 0.05 . 1 . . . A 2 SER CB . 18670 1 30 . 1 1 4 4 SER N N 15 115.401 0.035 . 1 . . . A 2 SER N . 18670 1 31 . 1 1 5 5 ALA H H 1 8.337 0.006 . 1 . . . A 3 ALA H . 18670 1 32 . 1 1 5 5 ALA HA H 1 4.477 0.007 . 1 . . . A 3 ALA HA . 18670 1 33 . 1 1 5 5 ALA HB1 H 1 1.28 0.003 . 1 . . . A 3 ALA HB1 . 18670 1 34 . 1 1 5 5 ALA HB2 H 1 1.28 0.003 . 1 . . . A 3 ALA HB2 . 18670 1 35 . 1 1 5 5 ALA HB3 H 1 1.28 0.003 . 1 . . . A 3 ALA HB3 . 18670 1 36 . 1 1 5 5 ALA C C 13 177.339 0 . 1 . . . A 3 ALA C . 18670 1 37 . 1 1 5 5 ALA CA C 13 52.163 0.067 . 1 . . . A 3 ALA CA . 18670 1 38 . 1 1 5 5 ALA CB C 13 20.099 0.03 . 1 . . . A 3 ALA CB . 18670 1 39 . 1 1 5 5 ALA N N 15 126.041 0.054 . 1 . . . A 3 ALA N . 18670 1 40 . 1 1 6 6 SER H H 1 8.883 0.003 . 1 . . . A 4 SER H . 18670 1 41 . 1 1 6 6 SER HA H 1 4.612 0.001 . 1 . . . A 4 SER HA . 18670 1 42 . 1 1 6 6 SER HB2 H 1 4.07 0.003 . 2 . . . A 4 SER HB2 . 18670 1 43 . 1 1 6 6 SER HB3 H 1 4.452 0.008 . 2 . . . A 4 SER HB3 . 18670 1 44 . 1 1 6 6 SER C C 13 175.422 0 . 1 . . . A 4 SER C . 18670 1 45 . 1 1 6 6 SER CA C 13 57.139 0.028 . 1 . . . A 4 SER CA . 18670 1 46 . 1 1 6 6 SER CB C 13 65.772 0.055 . 1 . . . A 4 SER CB . 18670 1 47 . 1 1 6 6 SER N N 15 118.462 0.017 . 1 . . . A 4 SER N . 18670 1 48 . 1 1 7 7 LYS H H 1 9.007 0.003 . 1 . . . A 5 LYS H . 18670 1 49 . 1 1 7 7 LYS HA H 1 4.144 0.004 . 1 . . . A 5 LYS HA . 18670 1 50 . 1 1 7 7 LYS HB2 H 1 1.934 0 . 2 . . . A 5 LYS HB2 . 18670 1 51 . 1 1 7 7 LYS HB3 H 1 2.107 0 . 2 . . . A 5 LYS HB3 . 18670 1 52 . 1 1 7 7 LYS HG2 H 1 1.705 0 . 2 . . . A 5 LYS HG2 . 18670 1 53 . 1 1 7 7 LYS HG3 H 1 1.828 0.001 . 2 . . . A 5 LYS HG3 . 18670 1 54 . 1 1 7 7 LYS HD2 H 1 1.831 0.002 . 2 . . . A 5 LYS HD2 . 18670 1 55 . 1 1 7 7 LYS HD3 H 1 1.987 0.002 . 2 . . . A 5 LYS HD3 . 18670 1 56 . 1 1 7 7 LYS HE2 H 1 3.195 0.002 . 2 . . . A 5 LYS HE2 . 18670 1 57 . 1 1 7 7 LYS HE3 H 1 3.268 0.003 . 2 . . . A 5 LYS HE3 . 18670 1 58 . 1 1 7 7 LYS C C 13 178.531 0 . 1 . . . A 5 LYS C . 18670 1 59 . 1 1 7 7 LYS CA C 13 59.646 0.052 . 1 . . . A 5 LYS CA . 18670 1 60 . 1 1 7 7 LYS CB C 13 32.195 0.033 . 1 . . . A 5 LYS CB . 18670 1 61 . 1 1 7 7 LYS CG C 13 25.471 0.149 . 1 . . . A 5 LYS CG . 18670 1 62 . 1 1 7 7 LYS CD C 13 29.753 0.091 . 1 . . . A 5 LYS CD . 18670 1 63 . 1 1 7 7 LYS CE C 13 42.305 0.088 . 1 . . . A 5 LYS CE . 18670 1 64 . 1 1 7 7 LYS N N 15 120.133 0.02 . 1 . . . A 5 LYS N . 18670 1 65 . 1 1 8 8 GLU H H 1 8.941 0.002 . 1 . . . A 6 GLU H . 18670 1 66 . 1 1 8 8 GLU HA H 1 3.854 0.005 . 1 . . . A 6 GLU HA . 18670 1 67 . 1 1 8 8 GLU HB2 H 1 2.309 0.002 . 2 . . . A 6 GLU HB2 . 18670 1 68 . 1 1 8 8 GLU HB3 H 1 2.025 0.002 . 2 . . . A 6 GLU HB3 . 18670 1 69 . 1 1 8 8 GLU HG2 H 1 2.684 0.002 . 2 . . . A 6 GLU HG2 . 18670 1 70 . 1 1 8 8 GLU HG3 H 1 2.487 0.002 . 2 . . . A 6 GLU HG3 . 18670 1 71 . 1 1 8 8 GLU C C 13 177.706 0 . 1 . . . A 6 GLU C . 18670 1 72 . 1 1 8 8 GLU CA C 13 61.475 0.092 . 1 . . . A 6 GLU CA . 18670 1 73 . 1 1 8 8 GLU CB C 13 28.813 0.068 . 1 . . . A 6 GLU CB . 18670 1 74 . 1 1 8 8 GLU CG C 13 37.793 0.039 . 1 . . . A 6 GLU CG . 18670 1 75 . 1 1 8 8 GLU N N 15 119.911 0.036 . 1 . . . A 6 GLU N . 18670 1 76 . 1 1 9 9 GLU H H 1 7.715 0.001 . 1 . . . A 7 GLU H . 18670 1 77 . 1 1 9 9 GLU HA H 1 3.667 0.005 . 1 . . . A 7 GLU HA . 18670 1 78 . 1 1 9 9 GLU HB2 H 1 2.474 0.002 . 2 . . . A 7 GLU HB2 . 18670 1 79 . 1 1 9 9 GLU HB3 H 1 1.861 0.004 . 2 . . . A 7 GLU HB3 . 18670 1 80 . 1 1 9 9 GLU HG2 H 1 2.347 0.002 . 2 . . . A 7 GLU HG2 . 18670 1 81 . 1 1 9 9 GLU HG3 H 1 2.095 0.003 . 2 . . . A 7 GLU HG3 . 18670 1 82 . 1 1 9 9 GLU C C 13 178.402 0 . 1 . . . A 7 GLU C . 18670 1 83 . 1 1 9 9 GLU CA C 13 59.608 0.069 . 1 . . . A 7 GLU CA . 18670 1 84 . 1 1 9 9 GLU CB C 13 29.488 0.013 . 1 . . . A 7 GLU CB . 18670 1 85 . 1 1 9 9 GLU CG C 13 37.852 0.039 . 1 . . . A 7 GLU CG . 18670 1 86 . 1 1 9 9 GLU N N 15 119.206 0.029 . 1 . . . A 7 GLU N . 18670 1 87 . 1 1 10 10 ILE H H 1 8.16 0.002 . 1 . . . A 8 ILE H . 18670 1 88 . 1 1 10 10 ILE HA H 1 3.266 0.004 . 1 . . . A 8 ILE HA . 18670 1 89 . 1 1 10 10 ILE HB H 1 1.749 0.008 . 1 . . . A 8 ILE HB . 18670 1 90 . 1 1 10 10 ILE HG12 H 1 1.805 0.004 . 2 . . . A 8 ILE HG12 . 18670 1 91 . 1 1 10 10 ILE HG13 H 1 0.631 0.015 . 2 . . . A 8 ILE HG13 . 18670 1 92 . 1 1 10 10 ILE HG21 H 1 0.219 0.006 . 1 . . . A 8 ILE HG21 . 18670 1 93 . 1 1 10 10 ILE HG22 H 1 0.219 0.006 . 1 . . . A 8 ILE HG22 . 18670 1 94 . 1 1 10 10 ILE HG23 H 1 0.219 0.006 . 1 . . . A 8 ILE HG23 . 18670 1 95 . 1 1 10 10 ILE HD11 H 1 0.651 0.004 . 1 . . . A 8 ILE HD11 . 18670 1 96 . 1 1 10 10 ILE HD12 H 1 0.651 0.004 . 1 . . . A 8 ILE HD12 . 18670 1 97 . 1 1 10 10 ILE HD13 H 1 0.651 0.004 . 1 . . . A 8 ILE HD13 . 18670 1 98 . 1 1 10 10 ILE C C 13 177.625 0 . 1 . . . A 8 ILE C . 18670 1 99 . 1 1 10 10 ILE CA C 13 65.882 0.113 . 1 . . . A 8 ILE CA . 18670 1 100 . 1 1 10 10 ILE CB C 13 37.607 0.076 . 1 . . . A 8 ILE CB . 18670 1 101 . 1 1 10 10 ILE CG1 C 13 29.636 0.061 . 1 . . . A 8 ILE CG1 . 18670 1 102 . 1 1 10 10 ILE CG2 C 13 17.623 0.066 . 1 . . . A 8 ILE CG2 . 18670 1 103 . 1 1 10 10 ILE CD1 C 13 12.737 0.023 . 1 . . . A 8 ILE CD1 . 18670 1 104 . 1 1 10 10 ILE N N 15 119.005 0.031 . 1 . . . A 8 ILE N . 18670 1 105 . 1 1 11 11 ALA H H 1 8.246 0.002 . 1 . . . A 9 ALA H . 18670 1 106 . 1 1 11 11 ALA HA H 1 3.878 0 . 1 . . . A 9 ALA HA . 18670 1 107 . 1 1 11 11 ALA HB1 H 1 1.054 0.001 . 1 . . . A 9 ALA HB1 . 18670 1 108 . 1 1 11 11 ALA HB2 H 1 1.054 0.001 . 1 . . . A 9 ALA HB2 . 18670 1 109 . 1 1 11 11 ALA HB3 H 1 1.054 0.001 . 1 . . . A 9 ALA HB3 . 18670 1 110 . 1 1 11 11 ALA CA C 13 55.885 0.024 . 1 . . . A 9 ALA CA . 18670 1 111 . 1 1 11 11 ALA CB C 13 18.197 0.011 . 1 . . . A 9 ALA CB . 18670 1 112 . 1 1 11 11 ALA N N 15 120.986 0.032 . 1 . . . A 9 ALA N . 18670 1 113 . 1 1 12 12 ALA H H 1 8.31 0 . 1 . . . A 10 ALA H . 18670 1 114 . 1 1 12 12 ALA HB1 H 1 1.157 0.003 . 1 . . . A 10 ALA HB1 . 18670 1 115 . 1 1 12 12 ALA HB2 H 1 1.157 0.003 . 1 . . . A 10 ALA HB2 . 18670 1 116 . 1 1 12 12 ALA HB3 H 1 1.157 0.003 . 1 . . . A 10 ALA HB3 . 18670 1 117 . 1 1 12 12 ALA C C 13 178.702 0 . 1 . . . A 10 ALA C . 18670 1 118 . 1 1 12 12 ALA CA C 13 55.478 0.079 . 1 . . . A 10 ALA CA . 18670 1 119 . 1 1 12 12 ALA CB C 13 17.494 0.03 . 1 . . . A 10 ALA CB . 18670 1 120 . 1 1 12 12 ALA N N 15 120.565 0 . 1 . . . A 10 ALA N . 18670 1 121 . 1 1 13 13 LEU H H 1 8.174 0.003 . 1 . . . A 11 LEU H . 18670 1 122 . 1 1 13 13 LEU HA H 1 3.853 0.004 . 1 . . . A 11 LEU HA . 18670 1 123 . 1 1 13 13 LEU HB3 H 1 1.625 0 . 1 . . . A 11 LEU HB3 . 18670 1 124 . 1 1 13 13 LEU HD21 H 1 0.481 0.004 . 1 . . . A 11 LEU HD21 . 18670 1 125 . 1 1 13 13 LEU HD22 H 1 0.481 0.004 . 1 . . . A 11 LEU HD22 . 18670 1 126 . 1 1 13 13 LEU HD23 H 1 0.481 0.004 . 1 . . . A 11 LEU HD23 . 18670 1 127 . 1 1 13 13 LEU C C 13 179.962 0 . 1 . . . A 11 LEU C . 18670 1 128 . 1 1 13 13 LEU CA C 13 58.064 0.11 . 1 . . . A 11 LEU CA . 18670 1 129 . 1 1 13 13 LEU CB C 13 41.92 0.058 . 1 . . . A 11 LEU CB . 18670 1 130 . 1 1 13 13 LEU CD2 C 13 24.187 0.103 . 1 . . . A 11 LEU CD2 . 18670 1 131 . 1 1 13 13 LEU N N 15 121.426 0.041 . 1 . . . A 11 LEU N . 18670 1 132 . 1 1 14 14 ILE H H 1 8.212 0.004 . 1 . . . A 12 ILE H . 18670 1 133 . 1 1 14 14 ILE HA H 1 3.265 0.003 . 1 . . . A 12 ILE HA . 18670 1 134 . 1 1 14 14 ILE HB H 1 2.189 0.002 . 1 . . . A 12 ILE HB . 18670 1 135 . 1 1 14 14 ILE HG12 H 1 1.621 0 . 2 . . . A 12 ILE HG12 . 18670 1 136 . 1 1 14 14 ILE HG13 H 1 0.341 0.001 . 2 . . . A 12 ILE HG13 . 18670 1 137 . 1 1 14 14 ILE HG21 H 1 0.779 0.003 . 1 . . . A 12 ILE HG21 . 18670 1 138 . 1 1 14 14 ILE HG22 H 1 0.779 0.003 . 1 . . . A 12 ILE HG22 . 18670 1 139 . 1 1 14 14 ILE HG23 H 1 0.779 0.003 . 1 . . . A 12 ILE HG23 . 18670 1 140 . 1 1 14 14 ILE HD11 H 1 0.486 0.006 . 1 . . . A 12 ILE HD11 . 18670 1 141 . 1 1 14 14 ILE HD12 H 1 0.486 0.006 . 1 . . . A 12 ILE HD12 . 18670 1 142 . 1 1 14 14 ILE HD13 H 1 0.486 0.006 . 1 . . . A 12 ILE HD13 . 18670 1 143 . 1 1 14 14 ILE C C 13 177.056 0 . 1 . . . A 12 ILE C . 18670 1 144 . 1 1 14 14 ILE CA C 13 65.976 0.116 . 1 . . . A 12 ILE CA . 18670 1 145 . 1 1 14 14 ILE CB C 13 38.185 0.082 . 1 . . . A 12 ILE CB . 18670 1 146 . 1 1 14 14 ILE CG1 C 13 29.49 0.053 . 1 . . . A 12 ILE CG1 . 18670 1 147 . 1 1 14 14 ILE CG2 C 13 18.985 0.057 . 1 . . . A 12 ILE CG2 . 18670 1 148 . 1 1 14 14 ILE CD1 C 13 15.707 0.026 . 1 . . . A 12 ILE CD1 . 18670 1 149 . 1 1 14 14 ILE N N 15 121.679 0.024 . 1 . . . A 12 ILE N . 18670 1 150 . 1 1 15 15 VAL H H 1 8.764 0.012 . 1 . . . A 13 VAL H . 18670 1 151 . 1 1 15 15 VAL HA H 1 3.649 0 . 1 . . . A 13 VAL HA . 18670 1 152 . 1 1 15 15 VAL HB H 1 2.461 0.007 . 1 . . . A 13 VAL HB . 18670 1 153 . 1 1 15 15 VAL HG11 H 1 1.395 0.006 . 2 . . . A 13 VAL HG11 . 18670 1 154 . 1 1 15 15 VAL HG12 H 1 1.395 0.006 . 2 . . . A 13 VAL HG12 . 18670 1 155 . 1 1 15 15 VAL HG13 H 1 1.395 0.006 . 2 . . . A 13 VAL HG13 . 18670 1 156 . 1 1 15 15 VAL HG21 H 1 1.192 0.004 . 2 . . . A 13 VAL HG21 . 18670 1 157 . 1 1 15 15 VAL HG22 H 1 1.192 0.004 . 2 . . . A 13 VAL HG22 . 18670 1 158 . 1 1 15 15 VAL HG23 H 1 1.192 0.004 . 2 . . . A 13 VAL HG23 . 18670 1 159 . 1 1 15 15 VAL C C 13 177.946 0 . 1 . . . A 13 VAL C . 18670 1 160 . 1 1 15 15 VAL CA C 13 68.673 0.096 . 1 . . . A 13 VAL CA . 18670 1 161 . 1 1 15 15 VAL CB C 13 31.412 0.05 . 1 . . . A 13 VAL CB . 18670 1 162 . 1 1 15 15 VAL CG1 C 13 24.58 0.11 . 2 . . . A 13 VAL CG1 . 18670 1 163 . 1 1 15 15 VAL CG2 C 13 22.612 0.05 . 2 . . . A 13 VAL CG2 . 18670 1 164 . 1 1 15 15 VAL N N 15 120.985 0.041 . 1 . . . A 13 VAL N . 18670 1 165 . 1 1 16 16 ASN H H 1 8.8 0.002 . 1 . . . A 14 ASN H . 18670 1 166 . 1 1 16 16 ASN HA H 1 4.509 0 . 1 . . . A 14 ASN HA . 18670 1 167 . 1 1 16 16 ASN HB3 H 1 2.793 0 . 1 . . . A 14 ASN HB3 . 18670 1 168 . 1 1 16 16 ASN HD21 H 1 7.095 0 . 1 . . . A 14 ASN HD21 . 18670 1 169 . 1 1 16 16 ASN HD22 H 1 7.805 0 . 1 . . . A 14 ASN HD22 . 18670 1 170 . 1 1 16 16 ASN C C 13 177.02 0 . 1 . . . A 14 ASN C . 18670 1 171 . 1 1 16 16 ASN CA C 13 57.018 0.04 . 1 . . . A 14 ASN CA . 18670 1 172 . 1 1 16 16 ASN CB C 13 39.922 0.026 . 1 . . . A 14 ASN CB . 18670 1 173 . 1 1 16 16 ASN N N 15 119.346 0.021 . 1 . . . A 14 ASN N . 18670 1 174 . 1 1 16 16 ASN ND2 N 15 113.649 0 . 1 . . . A 14 ASN ND2 . 18670 1 175 . 1 1 17 17 TYR H H 1 8.118 0.005 . 1 . . . A 15 TYR H . 18670 1 176 . 1 1 17 17 TYR HA H 1 4.319 0.003 . 1 . . . A 15 TYR HA . 18670 1 177 . 1 1 17 17 TYR HB2 H 1 3.006 0.002 . 2 . . . A 15 TYR HB2 . 18670 1 178 . 1 1 17 17 TYR HB3 H 1 3.12 0.005 . 2 . . . A 15 TYR HB3 . 18670 1 179 . 1 1 17 17 TYR HD1 H 1 6.687 0.004 . 3 . . . A 15 TYR HD1 . 18670 1 180 . 1 1 17 17 TYR HD2 H 1 6.687 0.004 . 3 . . . A 15 TYR HD2 . 18670 1 181 . 1 1 17 17 TYR HE1 H 1 6.611 0.001 . 3 . . . A 15 TYR HE1 . 18670 1 182 . 1 1 17 17 TYR HE2 H 1 6.611 0.001 . 3 . . . A 15 TYR HE2 . 18670 1 183 . 1 1 17 17 TYR C C 13 178.453 0 . 1 . . . A 15 TYR C . 18670 1 184 . 1 1 17 17 TYR CA C 13 61.182 0.032 . 1 . . . A 15 TYR CA . 18670 1 185 . 1 1 17 17 TYR CB C 13 38.146 0.034 . 1 . . . A 15 TYR CB . 18670 1 186 . 1 1 17 17 TYR CD1 C 13 133.046 0.044 . 3 . . . A 15 TYR CD1 . 18670 1 187 . 1 1 17 17 TYR CD2 C 13 133.046 0.044 . 3 . . . A 15 TYR CD2 . 18670 1 188 . 1 1 17 17 TYR CE1 C 13 117.667 0.036 . 3 . . . A 15 TYR CE1 . 18670 1 189 . 1 1 17 17 TYR CE2 C 13 117.667 0.036 . 3 . . . A 15 TYR CE2 . 18670 1 190 . 1 1 17 17 TYR N N 15 122.026 0.025 . 1 . . . A 15 TYR N . 18670 1 191 . 1 1 18 18 PHE H H 1 8.454 0.004 . 1 . . . A 16 PHE H . 18670 1 192 . 1 1 18 18 PHE HA H 1 4.479 0.004 . 1 . . . A 16 PHE HA . 18670 1 193 . 1 1 18 18 PHE HB2 H 1 3.207 0.004 . 2 . . . A 16 PHE HB2 . 18670 1 194 . 1 1 18 18 PHE HB3 H 1 3.588 0.002 . 2 . . . A 16 PHE HB3 . 18670 1 195 . 1 1 18 18 PHE HD1 H 1 7.204 0.001 . 3 . . . A 16 PHE HD1 . 18670 1 196 . 1 1 18 18 PHE HD2 H 1 7.204 0.001 . 3 . . . A 16 PHE HD2 . 18670 1 197 . 1 1 18 18 PHE HE1 H 1 7.332 0.003 . 3 . . . A 16 PHE HE1 . 18670 1 198 . 1 1 18 18 PHE HE2 H 1 7.332 0.003 . 3 . . . A 16 PHE HE2 . 18670 1 199 . 1 1 18 18 PHE HZ H 1 7.226 0.004 . 1 . . . A 16 PHE HZ . 18670 1 200 . 1 1 18 18 PHE C C 13 177.702 0 . 1 . . . A 16 PHE C . 18670 1 201 . 1 1 18 18 PHE CA C 13 58.283 0.054 . 1 . . . A 16 PHE CA . 18670 1 202 . 1 1 18 18 PHE CB C 13 37.486 0.064 . 1 . . . A 16 PHE CB . 18670 1 203 . 1 1 18 18 PHE CD1 C 13 130.694 0.015 . 3 . . . A 16 PHE CD1 . 18670 1 204 . 1 1 18 18 PHE CD2 C 13 130.694 0.015 . 3 . . . A 16 PHE CD2 . 18670 1 205 . 1 1 18 18 PHE CE1 C 13 130.646 0.058 . 3 . . . A 16 PHE CE1 . 18670 1 206 . 1 1 18 18 PHE CE2 C 13 130.646 0.058 . 3 . . . A 16 PHE CE2 . 18670 1 207 . 1 1 18 18 PHE CZ C 13 129.648 0.068 . 1 . . . A 16 PHE CZ . 18670 1 208 . 1 1 18 18 PHE N N 15 119.052 0.014 . 1 . . . A 16 PHE N . 18670 1 209 . 1 1 19 19 SER H H 1 9.123 0.002 . 1 . . . A 17 SER H . 18670 1 210 . 1 1 19 19 SER HA H 1 4.037 0.003 . 1 . . . A 17 SER HA . 18670 1 211 . 1 1 19 19 SER HB2 H 1 4.083 0 . 2 . . . A 17 SER HB2 . 18670 1 212 . 1 1 19 19 SER HB3 H 1 4.197 0 . 2 . . . A 17 SER HB3 . 18670 1 213 . 1 1 19 19 SER C C 13 176.662 0 . 1 . . . A 17 SER C . 18670 1 214 . 1 1 19 19 SER CA C 13 62.62 0.061 . 1 . . . A 17 SER CA . 18670 1 215 . 1 1 19 19 SER CB C 13 62.824 0.011 . 1 . . . A 17 SER CB . 18670 1 216 . 1 1 19 19 SER N N 15 116.752 0.026 . 1 . . . A 17 SER N . 18670 1 217 . 1 1 20 20 SER H H 1 7.927 0.001 . 1 . . . A 18 SER H . 18670 1 218 . 1 1 20 20 SER HA H 1 4.305 0.002 . 1 . . . A 18 SER HA . 18670 1 219 . 1 1 20 20 SER HB2 H 1 4.008 0.002 . 2 . . . A 18 SER HB2 . 18670 1 220 . 1 1 20 20 SER HB3 H 1 4.071 0 . 2 . . . A 18 SER HB3 . 18670 1 221 . 1 1 20 20 SER C C 13 175.47 0 . 1 . . . A 18 SER C . 18670 1 222 . 1 1 20 20 SER CA C 13 61.801 0.131 . 1 . . . A 18 SER CA . 18670 1 223 . 1 1 20 20 SER CB C 13 63.037 0.05 . 1 . . . A 18 SER CB . 18670 1 224 . 1 1 20 20 SER N N 15 117.961 0.033 . 1 . . . A 18 SER N . 18670 1 225 . 1 1 21 21 ILE H H 1 7.29 0.003 . 1 . . . A 19 ILE H . 18670 1 226 . 1 1 21 21 ILE HA H 1 3.767 0.001 . 1 . . . A 19 ILE HA . 18670 1 227 . 1 1 21 21 ILE HB H 1 2.088 0.003 . 1 . . . A 19 ILE HB . 18670 1 228 . 1 1 21 21 ILE HG12 H 1 1.399 0.001 . 2 . . . A 19 ILE HG12 . 18670 1 229 . 1 1 21 21 ILE HG13 H 1 1.155 0.002 . 2 . . . A 19 ILE HG13 . 18670 1 230 . 1 1 21 21 ILE HG21 H 1 0.755 0.005 . 1 . . . A 19 ILE HG21 . 18670 1 231 . 1 1 21 21 ILE HG22 H 1 0.755 0.005 . 1 . . . A 19 ILE HG22 . 18670 1 232 . 1 1 21 21 ILE HG23 H 1 0.755 0.005 . 1 . . . A 19 ILE HG23 . 18670 1 233 . 1 1 21 21 ILE HD11 H 1 0.763 0.006 . 1 . . . A 19 ILE HD11 . 18670 1 234 . 1 1 21 21 ILE HD12 H 1 0.763 0.006 . 1 . . . A 19 ILE HD12 . 18670 1 235 . 1 1 21 21 ILE HD13 H 1 0.763 0.006 . 1 . . . A 19 ILE HD13 . 18670 1 236 . 1 1 21 21 ILE C C 13 178.051 0 . 1 . . . A 19 ILE C . 18670 1 237 . 1 1 21 21 ILE CA C 13 64.305 0.047 . 1 . . . A 19 ILE CA . 18670 1 238 . 1 1 21 21 ILE CB C 13 37.538 0.067 . 1 . . . A 19 ILE CB . 18670 1 239 . 1 1 21 21 ILE CG1 C 13 28.33 0 . 1 . . . A 19 ILE CG1 . 18670 1 240 . 1 1 21 21 ILE CG2 C 13 17.64 0.093 . 1 . . . A 19 ILE CG2 . 18670 1 241 . 1 1 21 21 ILE CD1 C 13 12.502 0.062 . 1 . . . A 19 ILE CD1 . 18670 1 242 . 1 1 21 21 ILE N N 15 122.288 0.036 . 1 . . . A 19 ILE N . 18670 1 243 . 1 1 22 22 VAL H H 1 7.734 0.002 . 1 . . . A 20 VAL H . 18670 1 244 . 1 1 22 22 VAL HA H 1 3.575 0.002 . 1 . . . A 20 VAL HA . 18670 1 245 . 1 1 22 22 VAL HB H 1 2.221 0.003 . 1 . . . A 20 VAL HB . 18670 1 246 . 1 1 22 22 VAL HG11 H 1 1.007 0.004 . 2 . . . A 20 VAL HG11 . 18670 1 247 . 1 1 22 22 VAL HG12 H 1 1.007 0.004 . 2 . . . A 20 VAL HG12 . 18670 1 248 . 1 1 22 22 VAL HG13 H 1 1.007 0.004 . 2 . . . A 20 VAL HG13 . 18670 1 249 . 1 1 22 22 VAL HG21 H 1 0.991 0.004 . 2 . . . A 20 VAL HG21 . 18670 1 250 . 1 1 22 22 VAL HG22 H 1 0.991 0.004 . 2 . . . A 20 VAL HG22 . 18670 1 251 . 1 1 22 22 VAL HG23 H 1 0.991 0.004 . 2 . . . A 20 VAL HG23 . 18670 1 252 . 1 1 22 22 VAL C C 13 180.259 0 . 1 . . . A 20 VAL C . 18670 1 253 . 1 1 22 22 VAL CA C 13 66.961 0.132 . 1 . . . A 20 VAL CA . 18670 1 254 . 1 1 22 22 VAL CB C 13 31.959 0.061 . 1 . . . A 20 VAL CB . 18670 1 255 . 1 1 22 22 VAL CG1 C 13 23.363 0.1 . 2 . . . A 20 VAL CG1 . 18670 1 256 . 1 1 22 22 VAL CG2 C 13 21.605 0.002 . 2 . . . A 20 VAL CG2 . 18670 1 257 . 1 1 22 22 VAL N N 15 118.399 0.035 . 1 . . . A 20 VAL N . 18670 1 258 . 1 1 23 23 GLU H H 1 8.749 0.002 . 1 . . . A 21 GLU H . 18670 1 259 . 1 1 23 23 GLU HA H 1 4.024 0.003 . 1 . . . A 21 GLU HA . 18670 1 260 . 1 1 23 23 GLU HB2 H 1 2.112 0.002 . 2 . . . A 21 GLU HB2 . 18670 1 261 . 1 1 23 23 GLU HB3 H 1 2.188 0.001 . 2 . . . A 21 GLU HB3 . 18670 1 262 . 1 1 23 23 GLU HG2 H 1 2.292 0 . 2 . . . A 21 GLU HG2 . 18670 1 263 . 1 1 23 23 GLU HG3 H 1 2.382 0 . 2 . . . A 21 GLU HG3 . 18670 1 264 . 1 1 23 23 GLU C C 13 178.597 0 . 1 . . . A 21 GLU C . 18670 1 265 . 1 1 23 23 GLU CA C 13 59.519 0.034 . 1 . . . A 21 GLU CA . 18670 1 266 . 1 1 23 23 GLU CB C 13 29.763 0.083 . 1 . . . A 21 GLU CB . 18670 1 267 . 1 1 23 23 GLU CG C 13 36.22 0.021 . 1 . . . A 21 GLU CG . 18670 1 268 . 1 1 23 23 GLU N N 15 122.433 0.02 . 1 . . . A 21 GLU N . 18670 1 269 . 1 1 24 24 LYS H H 1 7.883 0.001 . 1 . . . A 22 LYS H . 18670 1 270 . 1 1 24 24 LYS HA H 1 4.195 0.003 . 1 . . . A 22 LYS HA . 18670 1 271 . 1 1 24 24 LYS HB2 H 1 2.057 0.004 . 2 . . . A 22 LYS HB2 . 18670 1 272 . 1 1 24 24 LYS HB3 H 1 1.769 0.005 . 2 . . . A 22 LYS HB3 . 18670 1 273 . 1 1 24 24 LYS HG2 H 1 1.455 0.004 . 2 . . . A 22 LYS HG2 . 18670 1 274 . 1 1 24 24 LYS HG3 H 1 1.702 0 . 2 . . . A 22 LYS HG3 . 18670 1 275 . 1 1 24 24 LYS HD2 H 1 1.653 0 . 2 . . . A 22 LYS HD2 . 18670 1 276 . 1 1 24 24 LYS HD3 H 1 1.613 0.006 . 2 . . . A 22 LYS HD3 . 18670 1 277 . 1 1 24 24 LYS HE3 H 1 2.929 0.003 . 1 . . . A 22 LYS HE3 . 18670 1 278 . 1 1 24 24 LYS C C 13 175.357 0 . 1 . . . A 22 LYS C . 18670 1 279 . 1 1 24 24 LYS CA C 13 56.781 0.084 . 1 . . . A 22 LYS CA . 18670 1 280 . 1 1 24 24 LYS CB C 13 32.638 0.041 . 1 . . . A 22 LYS CB . 18670 1 281 . 1 1 24 24 LYS CG C 13 25.987 0.097 . 1 . . . A 22 LYS CG . 18670 1 282 . 1 1 24 24 LYS CD C 13 29.148 0.088 . 1 . . . A 22 LYS CD . 18670 1 283 . 1 1 24 24 LYS CE C 13 42.092 0.01 . 1 . . . A 22 LYS CE . 18670 1 284 . 1 1 24 24 LYS N N 15 115.6 0.021 . 1 . . . A 22 LYS N . 18670 1 285 . 1 1 25 25 LYS H H 1 7.956 0.001 . 1 . . . A 23 LYS H . 18670 1 286 . 1 1 25 25 LYS HA H 1 3.973 0.006 . 1 . . . A 23 LYS HA . 18670 1 287 . 1 1 25 25 LYS HB2 H 1 2.016 0 . 2 . . . A 23 LYS HB2 . 18670 1 288 . 1 1 25 25 LYS HB3 H 1 2.094 0.007 . 2 . . . A 23 LYS HB3 . 18670 1 289 . 1 1 25 25 LYS HG3 H 1 1.425 0.003 . 1 . . . A 23 LYS HG3 . 18670 1 290 . 1 1 25 25 LYS HD3 H 1 1.745 0 . 1 . . . A 23 LYS HD3 . 18670 1 291 . 1 1 25 25 LYS HE3 H 1 3.063 0.002 . 1 . . . A 23 LYS HE3 . 18670 1 292 . 1 1 25 25 LYS C C 13 176.641 0 . 1 . . . A 23 LYS C . 18670 1 293 . 1 1 25 25 LYS CA C 13 57.412 0.039 . 1 . . . A 23 LYS CA . 18670 1 294 . 1 1 25 25 LYS CB C 13 28.699 0.075 . 1 . . . A 23 LYS CB . 18670 1 295 . 1 1 25 25 LYS CG C 13 24.875 0.055 . 1 . . . A 23 LYS CG . 18670 1 296 . 1 1 25 25 LYS CD C 13 29.129 0.098 . 1 . . . A 23 LYS CD . 18670 1 297 . 1 1 25 25 LYS CE C 13 42.446 0.008 . 1 . . . A 23 LYS CE . 18670 1 298 . 1 1 25 25 LYS N N 15 115.617 0.031 . 1 . . . A 23 LYS N . 18670 1 299 . 1 1 26 26 GLU H H 1 8.144 0.002 . 1 . . . A 24 GLU H . 18670 1 300 . 1 1 26 26 GLU HA H 1 4.331 0.002 . 1 . . . A 24 GLU HA . 18670 1 301 . 1 1 26 26 GLU HB2 H 1 1.88 0.001 . 2 . . . A 24 GLU HB2 . 18670 1 302 . 1 1 26 26 GLU HB3 H 1 2.277 0.007 . 2 . . . A 24 GLU HB3 . 18670 1 303 . 1 1 26 26 GLU HG3 H 1 2.228 0 . 1 . . . A 24 GLU HG3 . 18670 1 304 . 1 1 26 26 GLU C C 13 174.629 0 . 1 . . . A 24 GLU C . 18670 1 305 . 1 1 26 26 GLU CA C 13 56.488 0.066 . 1 . . . A 24 GLU CA . 18670 1 306 . 1 1 26 26 GLU CB C 13 30.092 0.026 . 1 . . . A 24 GLU CB . 18670 1 307 . 1 1 26 26 GLU CG C 13 37.304 0.011 . 1 . . . A 24 GLU CG . 18670 1 308 . 1 1 26 26 GLU N N 15 117.412 0.02 . 1 . . . A 24 GLU N . 18670 1 309 . 1 1 27 27 ILE H H 1 7.301 0.001 . 1 . . . A 25 ILE H . 18670 1 310 . 1 1 27 27 ILE HA H 1 4.468 0.003 . 1 . . . A 25 ILE HA . 18670 1 311 . 1 1 27 27 ILE HB H 1 1.579 0.009 . 1 . . . A 25 ILE HB . 18670 1 312 . 1 1 27 27 ILE HG12 H 1 1.484 0.009 . 2 . . . A 25 ILE HG12 . 18670 1 313 . 1 1 27 27 ILE HG13 H 1 1.03 0.006 . 2 . . . A 25 ILE HG13 . 18670 1 314 . 1 1 27 27 ILE HG21 H 1 0.598 0.004 . 1 . . . A 25 ILE HG21 . 18670 1 315 . 1 1 27 27 ILE HG22 H 1 0.598 0.004 . 1 . . . A 25 ILE HG22 . 18670 1 316 . 1 1 27 27 ILE HG23 H 1 0.598 0.004 . 1 . . . A 25 ILE HG23 . 18670 1 317 . 1 1 27 27 ILE HD11 H 1 0.232 0.002 . 1 . . . A 25 ILE HD11 . 18670 1 318 . 1 1 27 27 ILE HD12 H 1 0.232 0.002 . 1 . . . A 25 ILE HD12 . 18670 1 319 . 1 1 27 27 ILE HD13 H 1 0.232 0.002 . 1 . . . A 25 ILE HD13 . 18670 1 320 . 1 1 27 27 ILE C C 13 173.321 0 . 1 . . . A 25 ILE C . 18670 1 321 . 1 1 27 27 ILE CA C 13 58.876 0.07 . 1 . . . A 25 ILE CA . 18670 1 322 . 1 1 27 27 ILE CB C 13 41.503 0.033 . 1 . . . A 25 ILE CB . 18670 1 323 . 1 1 27 27 ILE CG1 C 13 27.296 0.089 . 1 . . . A 25 ILE CG1 . 18670 1 324 . 1 1 27 27 ILE CG2 C 13 15.882 0.052 . 1 . . . A 25 ILE CG2 . 18670 1 325 . 1 1 27 27 ILE CD1 C 13 14.299 0.026 . 1 . . . A 25 ILE CD1 . 18670 1 326 . 1 1 27 27 ILE N N 15 114.876 0.018 . 1 . . . A 25 ILE N . 18670 1 327 . 1 1 28 28 SER H H 1 8.108 0.003 . 1 . . . A 26 SER H . 18670 1 328 . 1 1 28 28 SER HA H 1 4.333 0.004 . 1 . . . A 26 SER HA . 18670 1 329 . 1 1 28 28 SER HB2 H 1 4.321 0 . 2 . . . A 26 SER HB2 . 18670 1 330 . 1 1 28 28 SER HB3 H 1 4.068 0.002 . 2 . . . A 26 SER HB3 . 18670 1 331 . 1 1 28 28 SER C C 13 173.762 0 . 1 . . . A 26 SER C . 18670 1 332 . 1 1 28 28 SER CA C 13 58.137 0.089 . 1 . . . A 26 SER CA . 18670 1 333 . 1 1 28 28 SER CB C 13 64.632 0.051 . 1 . . . A 26 SER CB . 18670 1 334 . 1 1 28 28 SER N N 15 119.524 0.032 . 1 . . . A 26 SER N . 18670 1 335 . 1 1 29 29 GLU H H 1 8.902 0.001 . 1 . . . A 27 GLU H . 18670 1 336 . 1 1 29 29 GLU HA H 1 3.993 0.004 . 1 . . . A 27 GLU HA . 18670 1 337 . 1 1 29 29 GLU HB3 H 1 2.049 0 . 1 . . . A 27 GLU HB3 . 18670 1 338 . 1 1 29 29 GLU HG3 H 1 2.391 0.001 . 1 . . . A 27 GLU HG3 . 18670 1 339 . 1 1 29 29 GLU C C 13 178.824 0 . 1 . . . A 27 GLU C . 18670 1 340 . 1 1 29 29 GLU CA C 13 60.289 0.094 . 1 . . . A 27 GLU CA . 18670 1 341 . 1 1 29 29 GLU CB C 13 29.043 0.064 . 1 . . . A 27 GLU CB . 18670 1 342 . 1 1 29 29 GLU CG C 13 36.786 0.041 . 1 . . . A 27 GLU CG . 18670 1 343 . 1 1 29 29 GLU N N 15 120.929 0.022 . 1 . . . A 27 GLU N . 18670 1 344 . 1 1 30 30 ASP H H 1 8.42 0.002 . 1 . . . A 28 ASP H . 18670 1 345 . 1 1 30 30 ASP HA H 1 4.425 0.003 . 1 . . . A 28 ASP HA . 18670 1 346 . 1 1 30 30 ASP HB2 H 1 2.673 0.001 . 2 . . . A 28 ASP HB2 . 18670 1 347 . 1 1 30 30 ASP HB3 H 1 2.498 0.001 . 2 . . . A 28 ASP HB3 . 18670 1 348 . 1 1 30 30 ASP C C 13 179.074 0 . 1 . . . A 28 ASP C . 18670 1 349 . 1 1 30 30 ASP CA C 13 56.977 0.075 . 1 . . . A 28 ASP CA . 18670 1 350 . 1 1 30 30 ASP CB C 13 40 0.021 . 1 . . . A 28 ASP CB . 18670 1 351 . 1 1 30 30 ASP N N 15 117.747 0.02 . 1 . . . A 28 ASP N . 18670 1 352 . 1 1 31 31 GLY H H 1 8.097 0.003 . 1 . . . A 29 GLY H . 18670 1 353 . 1 1 31 31 GLY HA2 H 1 3.632 0.006 . 2 . . . A 29 GLY HA2 . 18670 1 354 . 1 1 31 31 GLY HA3 H 1 3.521 0.004 . 2 . . . A 29 GLY HA3 . 18670 1 355 . 1 1 31 31 GLY C C 13 175.356 0 . 1 . . . A 29 GLY C . 18670 1 356 . 1 1 31 31 GLY CA C 13 47.431 0.06 . 1 . . . A 29 GLY CA . 18670 1 357 . 1 1 31 31 GLY N N 15 110.572 0.029 . 1 . . . A 29 GLY N . 18670 1 358 . 1 1 32 32 ALA H H 1 8.711 0.003 . 1 . . . A 30 ALA H . 18670 1 359 . 1 1 32 32 ALA HA H 1 3.738 0.003 . 1 . . . A 30 ALA HA . 18670 1 360 . 1 1 32 32 ALA HB1 H 1 1.473 0.002 . 1 . . . A 30 ALA HB1 . 18670 1 361 . 1 1 32 32 ALA HB2 H 1 1.473 0.002 . 1 . . . A 30 ALA HB2 . 18670 1 362 . 1 1 32 32 ALA HB3 H 1 1.473 0.002 . 1 . . . A 30 ALA HB3 . 18670 1 363 . 1 1 32 32 ALA C C 13 179.451 0 . 1 . . . A 30 ALA C . 18670 1 364 . 1 1 32 32 ALA CA C 13 55.336 0.093 . 1 . . . A 30 ALA CA . 18670 1 365 . 1 1 32 32 ALA CB C 13 18.225 0.067 . 1 . . . A 30 ALA CB . 18670 1 366 . 1 1 32 32 ALA N N 15 125.079 0.023 . 1 . . . A 30 ALA N . 18670 1 367 . 1 1 33 33 ASP H H 1 7.874 0.002 . 1 . . . A 31 ASP H . 18670 1 368 . 1 1 33 33 ASP HA H 1 4.484 0.006 . 1 . . . A 31 ASP HA . 18670 1 369 . 1 1 33 33 ASP HB2 H 1 2.76 0 . 2 . . . A 31 ASP HB2 . 18670 1 370 . 1 1 33 33 ASP HB3 H 1 2.947 0.002 . 2 . . . A 31 ASP HB3 . 18670 1 371 . 1 1 33 33 ASP C C 13 179.408 0 . 1 . . . A 31 ASP C . 18670 1 372 . 1 1 33 33 ASP CA C 13 57.743 0.027 . 1 . . . A 31 ASP CA . 18670 1 373 . 1 1 33 33 ASP CB C 13 39.953 0.013 . 1 . . . A 31 ASP CB . 18670 1 374 . 1 1 33 33 ASP N N 15 119.329 0.024 . 1 . . . A 31 ASP N . 18670 1 375 . 1 1 34 34 SER H H 1 7.739 0.001 . 1 . . . A 32 SER H . 18670 1 376 . 1 1 34 34 SER HA H 1 4.237 0 . 1 . . . A 32 SER HA . 18670 1 377 . 1 1 34 34 SER HB2 H 1 3.918 0 . 2 . . . A 32 SER HB2 . 18670 1 378 . 1 1 34 34 SER HB3 H 1 3.986 0 . 2 . . . A 32 SER HB3 . 18670 1 379 . 1 1 34 34 SER C C 13 176.672 0 . 1 . . . A 32 SER C . 18670 1 380 . 1 1 34 34 SER CA C 13 62.944 0.055 . 1 . . . A 32 SER CA . 18670 1 381 . 1 1 34 34 SER CB C 13 62.735 0.034 . 1 . . . A 32 SER CB . 18670 1 382 . 1 1 34 34 SER N N 15 116.715 0.038 . 1 . . . A 32 SER N . 18670 1 383 . 1 1 35 35 LEU H H 1 8.506 0.002 . 1 . . . A 33 LEU H . 18670 1 384 . 1 1 35 35 LEU HA H 1 3.845 0.002 . 1 . . . A 33 LEU HA . 18670 1 385 . 1 1 35 35 LEU HB2 H 1 1.043 0.001 . 2 . . . A 33 LEU HB2 . 18670 1 386 . 1 1 35 35 LEU HB3 H 1 1.636 0.005 . 2 . . . A 33 LEU HB3 . 18670 1 387 . 1 1 35 35 LEU HG H 1 1.487 0.005 . 1 . . . A 33 LEU HG . 18670 1 388 . 1 1 35 35 LEU HD11 H 1 0.449 0.007 . 2 . . . A 33 LEU HD11 . 18670 1 389 . 1 1 35 35 LEU HD12 H 1 0.449 0.007 . 2 . . . A 33 LEU HD12 . 18670 1 390 . 1 1 35 35 LEU HD13 H 1 0.449 0.007 . 2 . . . A 33 LEU HD13 . 18670 1 391 . 1 1 35 35 LEU HD21 H 1 0.129 0.004 . 2 . . . A 33 LEU HD21 . 18670 1 392 . 1 1 35 35 LEU HD22 H 1 0.129 0.004 . 2 . . . A 33 LEU HD22 . 18670 1 393 . 1 1 35 35 LEU HD23 H 1 0.129 0.004 . 2 . . . A 33 LEU HD23 . 18670 1 394 . 1 1 35 35 LEU C C 13 178.579 0 . 1 . . . A 33 LEU C . 18670 1 395 . 1 1 35 35 LEU CA C 13 56.894 0.138 . 1 . . . A 33 LEU CA . 18670 1 396 . 1 1 35 35 LEU CB C 13 41.119 0.08 . 1 . . . A 33 LEU CB . 18670 1 397 . 1 1 35 35 LEU CG C 13 25.88 0 . 1 . . . A 33 LEU CG . 18670 1 398 . 1 1 35 35 LEU CD1 C 13 25.112 0.149 . 2 . . . A 33 LEU CD1 . 18670 1 399 . 1 1 35 35 LEU CD2 C 13 22.094 0.062 . 2 . . . A 33 LEU CD2 . 18670 1 400 . 1 1 35 35 LEU N N 15 120.918 0.019 . 1 . . . A 33 LEU N . 18670 1 401 . 1 1 36 36 ASN H H 1 8.559 0.002 . 1 . . . A 34 ASN H . 18670 1 402 . 1 1 36 36 ASN HA H 1 4.507 0 . 1 . . . A 34 ASN HA . 18670 1 403 . 1 1 36 36 ASN HB3 H 1 3.034 0.006 . 1 . . . A 34 ASN HB3 . 18670 1 404 . 1 1 36 36 ASN HD21 H 1 6.91 0.001 . 1 . . . A 34 ASN HD21 . 18670 1 405 . 1 1 36 36 ASN HD22 H 1 7.6 0 . 1 . . . A 34 ASN HD22 . 18670 1 406 . 1 1 36 36 ASN C C 13 177.359 0 . 1 . . . A 34 ASN C . 18670 1 407 . 1 1 36 36 ASN CA C 13 57.556 0.044 . 1 . . . A 34 ASN CA . 18670 1 408 . 1 1 36 36 ASN CB C 13 38.439 0.01 . 1 . . . A 34 ASN CB . 18670 1 409 . 1 1 36 36 ASN N N 15 121.288 0.029 . 1 . . . A 34 ASN N . 18670 1 410 . 1 1 36 36 ASN ND2 N 15 113.194 0.029 . 1 . . . A 34 ASN ND2 . 18670 1 411 . 1 1 37 37 VAL H H 1 7.447 0.002 . 1 . . . A 35 VAL H . 18670 1 412 . 1 1 37 37 VAL HA H 1 3.87 0.004 . 1 . . . A 35 VAL HA . 18670 1 413 . 1 1 37 37 VAL HB H 1 2.439 0.001 . 1 . . . A 35 VAL HB . 18670 1 414 . 1 1 37 37 VAL HG11 H 1 1.09 0.008 . 2 . . . A 35 VAL HG11 . 18670 1 415 . 1 1 37 37 VAL HG12 H 1 1.09 0.008 . 2 . . . A 35 VAL HG12 . 18670 1 416 . 1 1 37 37 VAL HG13 H 1 1.09 0.008 . 2 . . . A 35 VAL HG13 . 18670 1 417 . 1 1 37 37 VAL HG21 H 1 0.94 0.005 . 2 . . . A 35 VAL HG21 . 18670 1 418 . 1 1 37 37 VAL HG22 H 1 0.94 0.005 . 2 . . . A 35 VAL HG22 . 18670 1 419 . 1 1 37 37 VAL HG23 H 1 0.94 0.005 . 2 . . . A 35 VAL HG23 . 18670 1 420 . 1 1 37 37 VAL C C 13 179.489 0 . 1 . . . A 35 VAL C . 18670 1 421 . 1 1 37 37 VAL CA C 13 66.662 0.117 . 1 . . . A 35 VAL CA . 18670 1 422 . 1 1 37 37 VAL CB C 13 31.462 0.062 . 1 . . . A 35 VAL CB . 18670 1 423 . 1 1 37 37 VAL CG1 C 13 22.272 0.036 . 2 . . . A 35 VAL CG1 . 18670 1 424 . 1 1 37 37 VAL CG2 C 13 22.601 0.09 . 2 . . . A 35 VAL CG2 . 18670 1 425 . 1 1 37 37 VAL N N 15 119.816 0.042 . 1 . . . A 35 VAL N . 18670 1 426 . 1 1 38 38 ALA H H 1 8.336 0.002 . 1 . . . A 36 ALA H . 18670 1 427 . 1 1 38 38 ALA HA H 1 3.84 0 . 1 . . . A 36 ALA HA . 18670 1 428 . 1 1 38 38 ALA HB1 H 1 1.525 0.004 . 1 . . . A 36 ALA HB1 . 18670 1 429 . 1 1 38 38 ALA HB2 H 1 1.525 0.004 . 1 . . . A 36 ALA HB2 . 18670 1 430 . 1 1 38 38 ALA HB3 H 1 1.525 0.004 . 1 . . . A 36 ALA HB3 . 18670 1 431 . 1 1 38 38 ALA C C 13 179.508 0 . 1 . . . A 36 ALA C . 18670 1 432 . 1 1 38 38 ALA CA C 13 56.095 0.061 . 1 . . . A 36 ALA CA . 18670 1 433 . 1 1 38 38 ALA CB C 13 18.199 0.015 . 1 . . . A 36 ALA CB . 18670 1 434 . 1 1 38 38 ALA N N 15 120.407 0.047 . 1 . . . A 36 ALA N . 18670 1 435 . 1 1 39 39 MET H H 1 9.001 0.001 . 1 . . . A 37 MET H . 18670 1 436 . 1 1 39 39 MET HA H 1 4 0.004 . 1 . . . A 37 MET HA . 18670 1 437 . 1 1 39 39 MET HB2 H 1 1.949 0 . 2 . . . A 37 MET HB2 . 18670 1 438 . 1 1 39 39 MET HB3 H 1 2.657 0.005 . 2 . . . A 37 MET HB3 . 18670 1 439 . 1 1 39 39 MET HG2 H 1 2.578 0 . 2 . . . A 37 MET HG2 . 18670 1 440 . 1 1 39 39 MET HG3 H 1 3.161 0 . 2 . . . A 37 MET HG3 . 18670 1 441 . 1 1 39 39 MET HE1 H 1 2.058 0 . 1 . . . A 37 MET HE1 . 18670 1 442 . 1 1 39 39 MET HE2 H 1 2.058 0 . 1 . . . A 37 MET HE2 . 18670 1 443 . 1 1 39 39 MET HE3 H 1 2.058 0 . 1 . . . A 37 MET HE3 . 18670 1 444 . 1 1 39 39 MET C C 13 178.73 0 . 1 . . . A 37 MET C . 18670 1 445 . 1 1 39 39 MET CA C 13 61.43 0.042 . 1 . . . A 37 MET CA . 18670 1 446 . 1 1 39 39 MET CB C 13 35.041 0.102 . 1 . . . A 37 MET CB . 18670 1 447 . 1 1 39 39 MET CG C 13 34.245 0.016 . 1 . . . A 37 MET CG . 18670 1 448 . 1 1 39 39 MET CE C 13 18.064 0.015 . 1 . . . A 37 MET CE . 18670 1 449 . 1 1 39 39 MET N N 15 115.707 0.023 . 1 . . . A 37 MET N . 18670 1 450 . 1 1 40 40 ASP H H 1 8.076 0.002 . 1 . . . A 38 ASP H . 18670 1 451 . 1 1 40 40 ASP HA H 1 4.554 0 . 1 . . . A 38 ASP HA . 18670 1 452 . 1 1 40 40 ASP HB2 H 1 2.81 0 . 2 . . . A 38 ASP HB2 . 18670 1 453 . 1 1 40 40 ASP HB3 H 1 3.079 0 . 2 . . . A 38 ASP HB3 . 18670 1 454 . 1 1 40 40 ASP C C 13 178.769 0 . 1 . . . A 38 ASP C . 18670 1 455 . 1 1 40 40 ASP CA C 13 58.274 0.037 . 1 . . . A 38 ASP CA . 18670 1 456 . 1 1 40 40 ASP CB C 13 39.724 0.02 . 1 . . . A 38 ASP CB . 18670 1 457 . 1 1 40 40 ASP N N 15 123.319 0.043 . 1 . . . A 38 ASP N . 18670 1 458 . 1 1 41 41 CYS H H 1 8.466 0.003 . 1 . . . A 39 CYS H . 18670 1 459 . 1 1 41 41 CYS HA H 1 4.146 0.003 . 1 . . . A 39 CYS HA . 18670 1 460 . 1 1 41 41 CYS HB2 H 1 2.984 0.005 . 2 . . . A 39 CYS HB2 . 18670 1 461 . 1 1 41 41 CYS HB3 H 1 3.087 0.004 . 2 . . . A 39 CYS HB3 . 18670 1 462 . 1 1 41 41 CYS C C 13 177.032 0 . 1 . . . A 39 CYS C . 18670 1 463 . 1 1 41 41 CYS CA C 13 64.215 0.081 . 1 . . . A 39 CYS CA . 18670 1 464 . 1 1 41 41 CYS CB C 13 27.819 0.068 . 1 . . . A 39 CYS CB . 18670 1 465 . 1 1 41 41 CYS N N 15 119.42 0.093 . 1 . . . A 39 CYS N . 18670 1 466 . 1 1 42 42 ILE H H 1 8.825 0.001 . 1 . . . A 40 ILE H . 18670 1 467 . 1 1 42 42 ILE HA H 1 3.278 0.002 . 1 . . . A 40 ILE HA . 18670 1 468 . 1 1 42 42 ILE HB H 1 1.768 0.004 . 1 . . . A 40 ILE HB . 18670 1 469 . 1 1 42 42 ILE HG12 H 1 0.675 0.008 . 2 . . . A 40 ILE HG12 . 18670 1 470 . 1 1 42 42 ILE HG13 H 1 1.926 0.003 . 2 . . . A 40 ILE HG13 . 18670 1 471 . 1 1 42 42 ILE HG21 H 1 1.108 0.005 . 1 . . . A 40 ILE HG21 . 18670 1 472 . 1 1 42 42 ILE HG22 H 1 1.108 0.005 . 1 . . . A 40 ILE HG22 . 18670 1 473 . 1 1 42 42 ILE HG23 H 1 1.108 0.005 . 1 . . . A 40 ILE HG23 . 18670 1 474 . 1 1 42 42 ILE HD11 H 1 1.168 0.004 . 1 . . . A 40 ILE HD11 . 18670 1 475 . 1 1 42 42 ILE HD12 H 1 1.168 0.004 . 1 . . . A 40 ILE HD12 . 18670 1 476 . 1 1 42 42 ILE HD13 H 1 1.168 0.004 . 1 . . . A 40 ILE HD13 . 18670 1 477 . 1 1 42 42 ILE C C 13 176.534 0 . 1 . . . A 40 ILE C . 18670 1 478 . 1 1 42 42 ILE CA C 13 65.931 0.135 . 1 . . . A 40 ILE CA . 18670 1 479 . 1 1 42 42 ILE CB C 13 39.279 0.084 . 1 . . . A 40 ILE CB . 18670 1 480 . 1 1 42 42 ILE CG1 C 13 29.021 0.092 . 1 . . . A 40 ILE CG1 . 18670 1 481 . 1 1 42 42 ILE CG2 C 13 18.951 0.082 . 1 . . . A 40 ILE CG2 . 18670 1 482 . 1 1 42 42 ILE CD1 C 13 14.988 0.055 . 1 . . . A 40 ILE CD1 . 18670 1 483 . 1 1 42 42 ILE N N 15 120.13 0.005 . 1 . . . A 40 ILE N . 18670 1 484 . 1 1 43 43 SER H H 1 7.622 0.003 . 1 . . . A 41 SER H . 18670 1 485 . 1 1 43 43 SER HA H 1 3.013 0.004 . 1 . . . A 41 SER HA . 18670 1 486 . 1 1 43 43 SER HB2 H 1 3.922 0.002 . 2 . . . A 41 SER HB2 . 18670 1 487 . 1 1 43 43 SER HB3 H 1 3.782 0.003 . 2 . . . A 41 SER HB3 . 18670 1 488 . 1 1 43 43 SER C C 13 175.449 0 . 1 . . . A 41 SER C . 18670 1 489 . 1 1 43 43 SER CA C 13 62.285 0.073 . 1 . . . A 41 SER CA . 18670 1 490 . 1 1 43 43 SER CB C 13 62.371 0 . 1 . . . A 41 SER CB . 18670 1 491 . 1 1 43 43 SER N N 15 114.938 0.034 . 1 . . . A 41 SER N . 18670 1 492 . 1 1 44 44 GLU H H 1 7.741 0.002 . 1 . . . A 42 GLU H . 18670 1 493 . 1 1 44 44 GLU HA H 1 3.945 0.004 . 1 . . . A 42 GLU HA . 18670 1 494 . 1 1 44 44 GLU HB2 H 1 2.076 0 . 2 . . . A 42 GLU HB2 . 18670 1 495 . 1 1 44 44 GLU HB3 H 1 1.996 0.001 . 2 . . . A 42 GLU HB3 . 18670 1 496 . 1 1 44 44 GLU HG3 H 1 2.306 0 . 1 . . . A 42 GLU HG3 . 18670 1 497 . 1 1 44 44 GLU C C 13 179.853 0 . 1 . . . A 42 GLU C . 18670 1 498 . 1 1 44 44 GLU CA C 13 58.944 0.061 . 1 . . . A 42 GLU CA . 18670 1 499 . 1 1 44 44 GLU CB C 13 29.208 0.007 . 1 . . . A 42 GLU CB . 18670 1 500 . 1 1 44 44 GLU CG C 13 35.772 0 . 1 . . . A 42 GLU CG . 18670 1 501 . 1 1 44 44 GLU N N 15 120.061 0.018 . 1 . . . A 42 GLU N . 18670 1 502 . 1 1 45 45 ALA H H 1 8.179 0.001 . 1 . . . A 43 ALA H . 18670 1 503 . 1 1 45 45 ALA HA H 1 3.842 0 . 1 . . . A 43 ALA HA . 18670 1 504 . 1 1 45 45 ALA HB1 H 1 1.052 0.005 . 1 . . . A 43 ALA HB1 . 18670 1 505 . 1 1 45 45 ALA HB2 H 1 1.052 0.005 . 1 . . . A 43 ALA HB2 . 18670 1 506 . 1 1 45 45 ALA HB3 H 1 1.052 0.005 . 1 . . . A 43 ALA HB3 . 18670 1 507 . 1 1 45 45 ALA C C 13 178.26 0 . 1 . . . A 43 ALA C . 18670 1 508 . 1 1 45 45 ALA CA C 13 54.742 0.069 . 1 . . . A 43 ALA CA . 18670 1 509 . 1 1 45 45 ALA CB C 13 18.75 0.08 . 1 . . . A 43 ALA CB . 18670 1 510 . 1 1 45 45 ALA N N 15 121.388 0.033 . 1 . . . A 43 ALA N . 18670 1 511 . 1 1 46 46 PHE H H 1 7.43 0.002 . 1 . . . A 44 PHE H . 18670 1 512 . 1 1 46 46 PHE HA H 1 4.5 0.004 . 1 . . . A 44 PHE HA . 18670 1 513 . 1 1 46 46 PHE HB2 H 1 2.664 0 . 2 . . . A 44 PHE HB2 . 18670 1 514 . 1 1 46 46 PHE HB3 H 1 3.496 0.003 . 2 . . . A 44 PHE HB3 . 18670 1 515 . 1 1 46 46 PHE HD1 H 1 7.657 0.002 . 3 . . . A 44 PHE HD1 . 18670 1 516 . 1 1 46 46 PHE HD2 H 1 7.657 0.002 . 3 . . . A 44 PHE HD2 . 18670 1 517 . 1 1 46 46 PHE HZ H 1 7.177 0.002 . 1 . . . A 44 PHE HZ . 18670 1 518 . 1 1 46 46 PHE C C 13 175.619 0 . 1 . . . A 44 PHE C . 18670 1 519 . 1 1 46 46 PHE CA C 13 58.7 0.08 . 1 . . . A 44 PHE CA . 18670 1 520 . 1 1 46 46 PHE CB C 13 40.113 0.041 . 1 . . . A 44 PHE CB . 18670 1 521 . 1 1 46 46 PHE CD1 C 13 132.995 0.036 . 3 . . . A 44 PHE CD1 . 18670 1 522 . 1 1 46 46 PHE CD2 C 13 132.995 0.036 . 3 . . . A 44 PHE CD2 . 18670 1 523 . 1 1 46 46 PHE CZ C 13 127.78 0.018 . 1 . . . A 44 PHE CZ . 18670 1 524 . 1 1 46 46 PHE N N 15 110.098 0.038 . 1 . . . A 44 PHE N . 18670 1 525 . 1 1 47 47 GLY H H 1 7.72 0.002 . 1 . . . A 45 GLY H . 18670 1 526 . 1 1 47 47 GLY HA2 H 1 4.063 0 . 2 . . . A 45 GLY HA2 . 18670 1 527 . 1 1 47 47 GLY HA3 H 1 3.946 0 . 2 . . . A 45 GLY HA3 . 18670 1 528 . 1 1 47 47 GLY C C 13 173.983 0 . 1 . . . A 45 GLY C . 18670 1 529 . 1 1 47 47 GLY CA C 13 47.236 0.065 . 1 . . . A 45 GLY CA . 18670 1 530 . 1 1 47 47 GLY N N 15 109.042 0.017 . 1 . . . A 45 GLY N . 18670 1 531 . 1 1 48 48 PHE H H 1 7.926 0.001 . 1 . . . A 46 PHE H . 18670 1 532 . 1 1 48 48 PHE HA H 1 5.216 0.001 . 1 . . . A 46 PHE HA . 18670 1 533 . 1 1 48 48 PHE HB2 H 1 3.011 0.003 . 2 . . . A 46 PHE HB2 . 18670 1 534 . 1 1 48 48 PHE HB3 H 1 3.143 0.004 . 2 . . . A 46 PHE HB3 . 18670 1 535 . 1 1 48 48 PHE HD1 H 1 7.088 0.003 . 3 . . . A 46 PHE HD1 . 18670 1 536 . 1 1 48 48 PHE HD2 H 1 7.088 0.003 . 3 . . . A 46 PHE HD2 . 18670 1 537 . 1 1 48 48 PHE HE1 H 1 7.16 0.002 . 3 . . . A 46 PHE HE1 . 18670 1 538 . 1 1 48 48 PHE HE2 H 1 7.16 0.002 . 3 . . . A 46 PHE HE2 . 18670 1 539 . 1 1 48 48 PHE HZ H 1 6.766 0.001 . 1 . . . A 46 PHE HZ . 18670 1 540 . 1 1 48 48 PHE C C 13 173.918 0 . 1 . . . A 46 PHE C . 18670 1 541 . 1 1 48 48 PHE CA C 13 54.387 0.089 . 1 . . . A 46 PHE CA . 18670 1 542 . 1 1 48 48 PHE CB C 13 41.589 0.034 . 1 . . . A 46 PHE CB . 18670 1 543 . 1 1 48 48 PHE CD1 C 13 133.109 0.062 . 3 . . . A 46 PHE CD1 . 18670 1 544 . 1 1 48 48 PHE CD2 C 13 133.109 0.062 . 3 . . . A 46 PHE CD2 . 18670 1 545 . 1 1 48 48 PHE CE1 C 13 130.951 0.011 . 3 . . . A 46 PHE CE1 . 18670 1 546 . 1 1 48 48 PHE CE2 C 13 130.951 0.011 . 3 . . . A 46 PHE CE2 . 18670 1 547 . 1 1 48 48 PHE CZ C 13 126.862 0.01 . 1 . . . A 46 PHE CZ . 18670 1 548 . 1 1 48 48 PHE N N 15 116.125 0.021 . 1 . . . A 46 PHE N . 18670 1 549 . 1 1 49 49 GLU H H 1 8.411 0.001 . 1 . . . A 47 GLU H . 18670 1 550 . 1 1 49 49 GLU HA H 1 4.607 0.002 . 1 . . . A 47 GLU HA . 18670 1 551 . 1 1 49 49 GLU HB2 H 1 2.356 0.007 . 2 . . . A 47 GLU HB2 . 18670 1 552 . 1 1 49 49 GLU HB3 H 1 2 0.003 . 2 . . . A 47 GLU HB3 . 18670 1 553 . 1 1 49 49 GLU HG3 H 1 2.378 0 . 1 . . . A 47 GLU HG3 . 18670 1 554 . 1 1 49 49 GLU C C 13 178.365 0 . 1 . . . A 47 GLU C . 18670 1 555 . 1 1 49 49 GLU CA C 13 55.029 0.062 . 1 . . . A 47 GLU CA . 18670 1 556 . 1 1 49 49 GLU CB C 13 30.764 0.144 . 1 . . . A 47 GLU CB . 18670 1 557 . 1 1 49 49 GLU CG C 13 36.382 0.011 . 1 . . . A 47 GLU CG . 18670 1 558 . 1 1 49 49 GLU N N 15 118.641 0.03 . 1 . . . A 47 GLU N . 18670 1 559 . 1 1 50 50 ARG H H 1 9.396 0.004 . 1 . . . A 48 ARG H . 18670 1 560 . 1 1 50 50 ARG HA H 1 4.123 0.002 . 1 . . . A 48 ARG HA . 18670 1 561 . 1 1 50 50 ARG HB3 H 1 2.024 0.004 . 1 . . . A 48 ARG HB3 . 18670 1 562 . 1 1 50 50 ARG HG2 H 1 1.893 0.004 . 2 . . . A 48 ARG HG2 . 18670 1 563 . 1 1 50 50 ARG HG3 H 1 1.709 0.005 . 2 . . . A 48 ARG HG3 . 18670 1 564 . 1 1 50 50 ARG HD3 H 1 3.244 0.005 . 1 . . . A 48 ARG HD3 . 18670 1 565 . 1 1 50 50 ARG HE H 1 7.454 0.002 . 1 . . . A 48 ARG HE . 18670 1 566 . 1 1 50 50 ARG C C 13 179.377 0 . 1 . . . A 48 ARG C . 18670 1 567 . 1 1 50 50 ARG CA C 13 60.117 0.078 . 1 . . . A 48 ARG CA . 18670 1 568 . 1 1 50 50 ARG CB C 13 30.151 0.074 . 1 . . . A 48 ARG CB . 18670 1 569 . 1 1 50 50 ARG CG C 13 27.498 0.037 . 1 . . . A 48 ARG CG . 18670 1 570 . 1 1 50 50 ARG CD C 13 44.035 0.032 . 1 . . . A 48 ARG CD . 18670 1 571 . 1 1 50 50 ARG N N 15 125.313 0.033 . 1 . . . A 48 ARG N . 18670 1 572 . 1 1 50 50 ARG NE N 15 82.677 0.042 . 1 . . . A 48 ARG NE . 18670 1 573 . 1 1 51 51 GLU H H 1 9.029 0.004 . 1 . . . A 49 GLU H . 18670 1 574 . 1 1 51 51 GLU HA H 1 4.252 0.002 . 1 . . . A 49 GLU HA . 18670 1 575 . 1 1 51 51 GLU HB2 H 1 2.15 0 . 2 . . . A 49 GLU HB2 . 18670 1 576 . 1 1 51 51 GLU HB3 H 1 2.111 0 . 2 . . . A 49 GLU HB3 . 18670 1 577 . 1 1 51 51 GLU HG2 H 1 2.364 0 . 2 . . . A 49 GLU HG2 . 18670 1 578 . 1 1 51 51 GLU HG3 H 1 2.401 0.001 . 2 . . . A 49 GLU HG3 . 18670 1 579 . 1 1 51 51 GLU C C 13 176.884 0 . 1 . . . A 49 GLU C . 18670 1 580 . 1 1 51 51 GLU CA C 13 58.355 0.015 . 1 . . . A 49 GLU CA . 18670 1 581 . 1 1 51 51 GLU CB C 13 29.043 0.043 . 1 . . . A 49 GLU CB . 18670 1 582 . 1 1 51 51 GLU CG C 13 36.475 0.039 . 1 . . . A 49 GLU CG . 18670 1 583 . 1 1 51 51 GLU N N 15 116.154 0.078 . 1 . . . A 49 GLU N . 18670 1 584 . 1 1 52 52 ALA H H 1 8.166 0.003 . 1 . . . A 50 ALA H . 18670 1 585 . 1 1 52 52 ALA HA H 1 4.523 0.001 . 1 . . . A 50 ALA HA . 18670 1 586 . 1 1 52 52 ALA HB1 H 1 1.706 0.003 . 1 . . . A 50 ALA HB1 . 18670 1 587 . 1 1 52 52 ALA HB2 H 1 1.706 0.003 . 1 . . . A 50 ALA HB2 . 18670 1 588 . 1 1 52 52 ALA HB3 H 1 1.706 0.003 . 1 . . . A 50 ALA HB3 . 18670 1 589 . 1 1 52 52 ALA C C 13 178.54 0 . 1 . . . A 50 ALA C . 18670 1 590 . 1 1 52 52 ALA CA C 13 52.577 0.077 . 1 . . . A 50 ALA CA . 18670 1 591 . 1 1 52 52 ALA CB C 13 19.927 0.047 . 1 . . . A 50 ALA CB . 18670 1 592 . 1 1 52 52 ALA N N 15 121.502 0.048 . 1 . . . A 50 ALA N . 18670 1 593 . 1 1 53 53 VAL H H 1 7.396 0.004 . 1 . . . A 51 VAL H . 18670 1 594 . 1 1 53 53 VAL HA H 1 3.322 0.005 . 1 . . . A 51 VAL HA . 18670 1 595 . 1 1 53 53 VAL HB H 1 2.217 0.006 . 1 . . . A 51 VAL HB . 18670 1 596 . 1 1 53 53 VAL HG11 H 1 1.241 0.008 . 2 . . . A 51 VAL HG11 . 18670 1 597 . 1 1 53 53 VAL HG12 H 1 1.241 0.008 . 2 . . . A 51 VAL HG12 . 18670 1 598 . 1 1 53 53 VAL HG13 H 1 1.241 0.008 . 2 . . . A 51 VAL HG13 . 18670 1 599 . 1 1 53 53 VAL HG21 H 1 0.968 0.007 . 2 . . . A 51 VAL HG21 . 18670 1 600 . 1 1 53 53 VAL HG22 H 1 0.968 0.007 . 2 . . . A 51 VAL HG22 . 18670 1 601 . 1 1 53 53 VAL HG23 H 1 0.968 0.007 . 2 . . . A 51 VAL HG23 . 18670 1 602 . 1 1 53 53 VAL C C 13 176.757 0 . 1 . . . A 51 VAL C . 18670 1 603 . 1 1 53 53 VAL CA C 13 67.432 0.145 . 1 . . . A 51 VAL CA . 18670 1 604 . 1 1 53 53 VAL CB C 13 32.064 0 . 1 . . . A 51 VAL CB . 18670 1 605 . 1 1 53 53 VAL CG1 C 13 24.335 0.064 . 2 . . . A 51 VAL CG1 . 18670 1 606 . 1 1 53 53 VAL CG2 C 13 21.788 0.155 . 2 . . . A 51 VAL CG2 . 18670 1 607 . 1 1 53 53 VAL N N 15 118.373 0.017 . 1 . . . A 51 VAL N . 18670 1 608 . 1 1 54 54 SER H H 1 8.653 0.005 . 1 . . . A 52 SER H . 18670 1 609 . 1 1 54 54 SER HA H 1 3.931 0.001 . 1 . . . A 52 SER HA . 18670 1 610 . 1 1 54 54 SER HB3 H 1 4.114 0.001 . 1 . . . A 52 SER HB3 . 18670 1 611 . 1 1 54 54 SER C C 13 177.696 0 . 1 . . . A 52 SER C . 18670 1 612 . 1 1 54 54 SER CA C 13 62.117 0.055 . 1 . . . A 52 SER CA . 18670 1 613 . 1 1 54 54 SER CB C 13 61.987 0.04 . 1 . . . A 52 SER CB . 18670 1 614 . 1 1 54 54 SER N N 15 114.512 0.077 . 1 . . . A 52 SER N . 18670 1 615 . 1 1 55 55 GLY H H 1 8.278 0.005 . 1 . . . A 53 GLY H . 18670 1 616 . 1 1 55 55 GLY HA3 H 1 3.913 0 . 1 . . . A 53 GLY HA3 . 18670 1 617 . 1 1 55 55 GLY C C 13 176.448 0 . 1 . . . A 53 GLY C . 18670 1 618 . 1 1 55 55 GLY CA C 13 46.454 0.089 . 1 . . . A 53 GLY CA . 18670 1 619 . 1 1 55 55 GLY N N 15 111.897 0.019 . 1 . . . A 53 GLY N . 18670 1 620 . 1 1 56 56 ILE H H 1 7.87 0.001 . 1 . . . A 54 ILE H . 18670 1 621 . 1 1 56 56 ILE HA H 1 3.602 0.003 . 1 . . . A 54 ILE HA . 18670 1 622 . 1 1 56 56 ILE HB H 1 1.572 0.006 . 1 . . . A 54 ILE HB . 18670 1 623 . 1 1 56 56 ILE HG12 H 1 1.552 0.005 . 2 . . . A 54 ILE HG12 . 18670 1 624 . 1 1 56 56 ILE HG13 H 1 0.886 0.004 . 2 . . . A 54 ILE HG13 . 18670 1 625 . 1 1 56 56 ILE HG21 H 1 0.638 0.004 . 1 . . . A 54 ILE HG21 . 18670 1 626 . 1 1 56 56 ILE HG22 H 1 0.638 0.004 . 1 . . . A 54 ILE HG22 . 18670 1 627 . 1 1 56 56 ILE HG23 H 1 0.638 0.004 . 1 . . . A 54 ILE HG23 . 18670 1 628 . 1 1 56 56 ILE HD11 H 1 0.268 0.004 . 1 . . . A 54 ILE HD11 . 18670 1 629 . 1 1 56 56 ILE HD12 H 1 0.268 0.004 . 1 . . . A 54 ILE HD12 . 18670 1 630 . 1 1 56 56 ILE HD13 H 1 0.268 0.004 . 1 . . . A 54 ILE HD13 . 18670 1 631 . 1 1 56 56 ILE C C 13 179.27 0 . 1 . . . A 54 ILE C . 18670 1 632 . 1 1 56 56 ILE CA C 13 65.015 0.175 . 1 . . . A 54 ILE CA . 18670 1 633 . 1 1 56 56 ILE CB C 13 38.785 0.059 . 1 . . . A 54 ILE CB . 18670 1 634 . 1 1 56 56 ILE CG1 C 13 28.581 0.048 . 1 . . . A 54 ILE CG1 . 18670 1 635 . 1 1 56 56 ILE CG2 C 13 17.202 0.063 . 1 . . . A 54 ILE CG2 . 18670 1 636 . 1 1 56 56 ILE CD1 C 13 13.388 0.033 . 1 . . . A 54 ILE CD1 . 18670 1 637 . 1 1 56 56 ILE N N 15 123.054 0.034 . 1 . . . A 54 ILE N . 18670 1 638 . 1 1 57 57 LEU H H 1 8.311 0.003 . 1 . . . A 55 LEU H . 18670 1 639 . 1 1 57 57 LEU HA H 1 4.115 0.002 . 1 . . . A 55 LEU HA . 18670 1 640 . 1 1 57 57 LEU HB2 H 1 1.446 0.004 . 2 . . . A 55 LEU HB2 . 18670 1 641 . 1 1 57 57 LEU HB3 H 1 1.781 0.003 . 2 . . . A 55 LEU HB3 . 18670 1 642 . 1 1 57 57 LEU HG H 1 1.666 0.004 . 1 . . . A 55 LEU HG . 18670 1 643 . 1 1 57 57 LEU HD11 H 1 0.776 0.003 . 2 . . . A 55 LEU HD11 . 18670 1 644 . 1 1 57 57 LEU HD12 H 1 0.776 0.003 . 2 . . . A 55 LEU HD12 . 18670 1 645 . 1 1 57 57 LEU HD13 H 1 0.776 0.003 . 2 . . . A 55 LEU HD13 . 18670 1 646 . 1 1 57 57 LEU HD21 H 1 0.824 0.004 . 2 . . . A 55 LEU HD21 . 18670 1 647 . 1 1 57 57 LEU HD22 H 1 0.824 0.004 . 2 . . . A 55 LEU HD22 . 18670 1 648 . 1 1 57 57 LEU HD23 H 1 0.824 0.004 . 2 . . . A 55 LEU HD23 . 18670 1 649 . 1 1 57 57 LEU C C 13 181.234 0 . 1 . . . A 55 LEU C . 18670 1 650 . 1 1 57 57 LEU CA C 13 56.787 0.046 . 1 . . . A 55 LEU CA . 18670 1 651 . 1 1 57 57 LEU CB C 13 41.237 0.053 . 1 . . . A 55 LEU CB . 18670 1 652 . 1 1 57 57 LEU CG C 13 26.814 0.037 . 1 . . . A 55 LEU CG . 18670 1 653 . 1 1 57 57 LEU CD1 C 13 25.177 0.052 . 2 . . . A 55 LEU CD1 . 18670 1 654 . 1 1 57 57 LEU CD2 C 13 22.772 0.083 . 2 . . . A 55 LEU CD2 . 18670 1 655 . 1 1 57 57 LEU N N 15 118.089 0.042 . 1 . . . A 55 LEU N . 18670 1 656 . 1 1 58 58 GLY H H 1 8.304 0.002 . 1 . . . A 56 GLY H . 18670 1 657 . 1 1 58 58 GLY HA2 H 1 3.901 0 . 2 . . . A 56 GLY HA2 . 18670 1 658 . 1 1 58 58 GLY HA3 H 1 3.985 0 . 2 . . . A 56 GLY HA3 . 18670 1 659 . 1 1 58 58 GLY CA C 13 46.675 0.016 . 1 . . . A 56 GLY CA . 18670 1 660 . 1 1 58 58 GLY N N 15 107.47 0.011 . 1 . . . A 56 GLY N . 18670 1 661 . 1 1 59 59 LYS HA H 1 4.554 0.001 . 1 . . . A 57 LYS HA . 18670 1 662 . 1 1 59 59 LYS HB2 H 1 1.977 0.003 . 2 . . . A 57 LYS HB2 . 18670 1 663 . 1 1 59 59 LYS HB3 H 1 1.846 0.003 . 2 . . . A 57 LYS HB3 . 18670 1 664 . 1 1 59 59 LYS HG2 H 1 1.543 0 . 2 . . . A 57 LYS HG2 . 18670 1 665 . 1 1 59 59 LYS HG3 H 1 1.51 0 . 2 . . . A 57 LYS HG3 . 18670 1 666 . 1 1 59 59 LYS HD3 H 1 1.665 0 . 1 . . . A 57 LYS HD3 . 18670 1 667 . 1 1 59 59 LYS HE3 H 1 2.98 0.003 . 1 . . . A 57 LYS HE3 . 18670 1 668 . 1 1 59 59 LYS C C 13 175.671 0 . 1 . . . A 57 LYS C . 18670 1 669 . 1 1 59 59 LYS CA C 13 55.69 0.063 . 1 . . . A 57 LYS CA . 18670 1 670 . 1 1 59 59 LYS CB C 13 32.893 0.073 . 1 . . . A 57 LYS CB . 18670 1 671 . 1 1 59 59 LYS CG C 13 24.538 0.053 . 1 . . . A 57 LYS CG . 18670 1 672 . 1 1 59 59 LYS CD C 13 29.257 0.024 . 1 . . . A 57 LYS CD . 18670 1 673 . 1 1 59 59 LYS CE C 13 42.142 0.006 . 1 . . . A 57 LYS CE . 18670 1 674 . 1 1 60 60 SER H H 1 7.651 0.007 . 1 . . . A 58 SER H . 18670 1 675 . 1 1 60 60 SER HA H 1 4.673 0 . 1 . . . A 58 SER HA . 18670 1 676 . 1 1 60 60 SER HB3 H 1 3.909 0.005 . 1 . . . A 58 SER HB3 . 18670 1 677 . 1 1 60 60 SER CA C 13 57.959 0 . 1 . . . A 58 SER CA . 18670 1 678 . 1 1 60 60 SER CB C 13 67.144 0.063 . 1 . . . A 58 SER CB . 18670 1 679 . 1 1 60 60 SER N N 15 116.852 0.022 . 1 . . . A 58 SER N . 18670 1 680 . 1 1 61 61 GLU H H 1 9.08 0 . 1 . . . A 59 GLU H . 18670 1 681 . 1 1 61 61 GLU HA H 1 4.194 0.006 . 1 . . . A 59 GLU HA . 18670 1 682 . 1 1 61 61 GLU HB2 H 1 1.68 0.003 . 2 . . . A 59 GLU HB2 . 18670 1 683 . 1 1 61 61 GLU HB3 H 1 1.855 0.002 . 2 . . . A 59 GLU HB3 . 18670 1 684 . 1 1 61 61 GLU HG3 H 1 1.965 0.008 . 1 . . . A 59 GLU HG3 . 18670 1 685 . 1 1 61 61 GLU C C 13 176.649 0 . 1 . . . A 59 GLU C . 18670 1 686 . 1 1 61 61 GLU CA C 13 57.14 0.093 . 1 . . . A 59 GLU CA . 18670 1 687 . 1 1 61 61 GLU CB C 13 29.123 0.076 . 1 . . . A 59 GLU CB . 18670 1 688 . 1 1 61 61 GLU CG C 13 35.316 0.044 . 1 . . . A 59 GLU CG . 18670 1 689 . 1 1 62 62 PHE H H 1 8.106 0.01 . 1 . . . A 60 PHE H . 18670 1 690 . 1 1 62 62 PHE HA H 1 4.638 0.003 . 1 . . . A 60 PHE HA . 18670 1 691 . 1 1 62 62 PHE HB2 H 1 3.245 0.003 . 2 . . . A 60 PHE HB2 . 18670 1 692 . 1 1 62 62 PHE HB3 H 1 2.745 0 . 2 . . . A 60 PHE HB3 . 18670 1 693 . 1 1 62 62 PHE HD1 H 1 7.033 0.003 . 3 . . . A 60 PHE HD1 . 18670 1 694 . 1 1 62 62 PHE HD2 H 1 7.033 0.003 . 3 . . . A 60 PHE HD2 . 18670 1 695 . 1 1 62 62 PHE HE1 H 1 7.097 0.001 . 3 . . . A 60 PHE HE1 . 18670 1 696 . 1 1 62 62 PHE HE2 H 1 7.097 0.001 . 3 . . . A 60 PHE HE2 . 18670 1 697 . 1 1 62 62 PHE CA C 13 56.745 0 . 1 . . . A 60 PHE CA . 18670 1 698 . 1 1 62 62 PHE CB C 13 38.914 0.019 . 1 . . . A 60 PHE CB . 18670 1 699 . 1 1 62 62 PHE CD1 C 13 131.195 0.001 . 3 . . . A 60 PHE CD1 . 18670 1 700 . 1 1 62 62 PHE CD2 C 13 131.195 0.001 . 3 . . . A 60 PHE CD2 . 18670 1 701 . 1 1 62 62 PHE CE1 C 13 131.254 0.028 . 3 . . . A 60 PHE CE1 . 18670 1 702 . 1 1 62 62 PHE CE2 C 13 131.254 0.028 . 3 . . . A 60 PHE CE2 . 18670 1 703 . 1 1 62 62 PHE N N 15 117.967 0.061 . 1 . . . A 60 PHE N . 18670 1 704 . 1 1 63 63 LYS HE3 H 1 3.005 0 . 1 . . . A 61 LYS HE3 . 18670 1 705 . 1 1 63 63 LYS CE C 13 42.134 0 . 1 . . . A 61 LYS CE . 18670 1 706 . 1 1 64 64 GLY H H 1 8.675 0.001 . 1 . . . A 62 GLY H . 18670 1 707 . 1 1 64 64 GLY HA2 H 1 3.771 0.002 . 2 . . . A 62 GLY HA2 . 18670 1 708 . 1 1 64 64 GLY HA3 H 1 3.974 0.005 . 2 . . . A 62 GLY HA3 . 18670 1 709 . 1 1 64 64 GLY C C 13 174.072 0 . 1 . . . A 62 GLY C . 18670 1 710 . 1 1 64 64 GLY CA C 13 45.681 0.04 . 1 . . . A 62 GLY CA . 18670 1 711 . 1 1 65 65 GLN H H 1 8.049 0.001 . 1 . . . A 63 GLN H . 18670 1 712 . 1 1 65 65 GLN HA H 1 4.448 0 . 1 . . . A 63 GLN HA . 18670 1 713 . 1 1 65 65 GLN HB3 H 1 1.997 0.005 . 1 . . . A 63 GLN HB3 . 18670 1 714 . 1 1 65 65 GLN HG2 H 1 2.293 0 . 2 . . . A 63 GLN HG2 . 18670 1 715 . 1 1 65 65 GLN HG3 H 1 2.179 0.005 . 2 . . . A 63 GLN HG3 . 18670 1 716 . 1 1 65 65 GLN HE21 H 1 6.771 0.001 . 1 . . . A 63 GLN HE21 . 18670 1 717 . 1 1 65 65 GLN HE22 H 1 7.397 0.001 . 1 . . . A 63 GLN HE22 . 18670 1 718 . 1 1 65 65 GLN C C 13 174.848 0 . 1 . . . A 63 GLN C . 18670 1 719 . 1 1 65 65 GLN CA C 13 55.354 0.151 . 1 . . . A 63 GLN CA . 18670 1 720 . 1 1 65 65 GLN CB C 13 31.01 0.061 . 1 . . . A 63 GLN CB . 18670 1 721 . 1 1 65 65 GLN N N 15 118.607 0.038 . 1 . . . A 63 GLN N . 18670 1 722 . 1 1 65 65 GLN NE2 N 15 111.178 0.007 . 1 . . . A 63 GLN NE2 . 18670 1 723 . 1 1 66 66 HIS H H 1 8.587 0.003 . 1 . . . A 64 HIS H . 18670 1 724 . 1 1 66 66 HIS HA H 1 4.736 0.016 . 1 . . . A 64 HIS HA . 18670 1 725 . 1 1 66 66 HIS HB2 H 1 3.361 0.005 . 2 . . . A 64 HIS HB2 . 18670 1 726 . 1 1 66 66 HIS HB3 H 1 3.105 0.008 . 2 . . . A 64 HIS HB3 . 18670 1 727 . 1 1 66 66 HIS HD2 H 1 7.213 0.001 . 1 . . . A 64 HIS HD2 . 18670 1 728 . 1 1 66 66 HIS HE1 H 1 8.243 0 . 1 . . . A 64 HIS HE1 . 18670 1 729 . 1 1 66 66 HIS CA C 13 55.017 0.02 . 1 . . . A 64 HIS CA . 18670 1 730 . 1 1 66 66 HIS CB C 13 31.368 0.11 . 1 . . . A 64 HIS CB . 18670 1 731 . 1 1 66 66 HIS CD2 C 13 119.856 0.074 . 1 . . . A 64 HIS CD2 . 18670 1 732 . 1 1 66 66 HIS N N 15 118.572 0.041 . 1 . . . A 64 HIS N . 18670 1 733 . 1 1 68 68 ALA H H 1 8.163 0 . 1 . . . A 66 ALA H . 18670 1 734 . 1 1 68 68 ALA HB1 H 1 1.41 0 . 1 . . . A 66 ALA HB1 . 18670 1 735 . 1 1 68 68 ALA HB2 H 1 1.41 0 . 1 . . . A 66 ALA HB2 . 18670 1 736 . 1 1 68 68 ALA HB3 H 1 1.41 0 . 1 . . . A 66 ALA HB3 . 18670 1 737 . 1 1 68 68 ALA CA C 13 52.92 0.093 . 1 . . . A 66 ALA CA . 18670 1 738 . 1 1 68 68 ALA CB C 13 19.28 0.006 . 1 . . . A 66 ALA CB . 18670 1 739 . 1 1 68 68 ALA N N 15 123.724 0 . 1 . . . A 66 ALA N . 18670 1 740 . 1 1 69 69 ASP C C 13 178.47 0 . 1 . . . A 67 ASP C . 18670 1 741 . 1 1 69 69 ASP CA C 13 56.49 0 . 1 . . . A 67 ASP CA . 18670 1 742 . 1 1 70 70 ILE H H 1 7.627 0.001 . 1 . . . A 68 ILE H . 18670 1 743 . 1 1 70 70 ILE HA H 1 3.762 0 . 1 . . . A 68 ILE HA . 18670 1 744 . 1 1 70 70 ILE HB H 1 1.67 0.008 . 1 . . . A 68 ILE HB . 18670 1 745 . 1 1 70 70 ILE HG12 H 1 1.565 0.005 . 2 . . . A 68 ILE HG12 . 18670 1 746 . 1 1 70 70 ILE HG13 H 1 1.024 0.004 . 2 . . . A 68 ILE HG13 . 18670 1 747 . 1 1 70 70 ILE HD11 H 1 0.601 0.003 . 1 . . . A 68 ILE HD11 . 18670 1 748 . 1 1 70 70 ILE HD12 H 1 0.601 0.003 . 1 . . . A 68 ILE HD12 . 18670 1 749 . 1 1 70 70 ILE HD13 H 1 0.601 0.003 . 1 . . . A 68 ILE HD13 . 18670 1 750 . 1 1 70 70 ILE CA C 13 64.303 0.057 . 1 . . . A 68 ILE CA . 18670 1 751 . 1 1 70 70 ILE CB C 13 38.719 0.045 . 1 . . . A 68 ILE CB . 18670 1 752 . 1 1 70 70 ILE CG1 C 13 28.056 0.137 . 1 . . . A 68 ILE CG1 . 18670 1 753 . 1 1 70 70 ILE CG2 C 13 17.373 0.002 . 1 . . . A 68 ILE CG2 . 18670 1 754 . 1 1 70 70 ILE CD1 C 13 14.068 0.042 . 1 . . . A 68 ILE CD1 . 18670 1 755 . 1 1 70 70 ILE N N 15 120.114 0.03 . 1 . . . A 68 ILE N . 18670 1 756 . 1 1 72 72 ASN H H 1 8.359 0 . 1 . . . A 70 ASN H . 18670 1 757 . 1 1 72 72 ASN HA H 1 4.769 0.005 . 1 . . . A 70 ASN HA . 18670 1 758 . 1 1 72 72 ASN HB2 H 1 2.827 0.002 . 2 . . . A 70 ASN HB2 . 18670 1 759 . 1 1 72 72 ASN HB3 H 1 2.951 0.001 . 2 . . . A 70 ASN HB3 . 18670 1 760 . 1 1 72 72 ASN HD21 H 1 6.898 0.002 . 1 . . . A 70 ASN HD21 . 18670 1 761 . 1 1 72 72 ASN HD22 H 1 7.621 0.001 . 1 . . . A 70 ASN HD22 . 18670 1 762 . 1 1 72 72 ASN C C 13 175.283 0 . 1 . . . A 70 ASN C . 18670 1 763 . 1 1 72 72 ASN CA C 13 53.809 0.096 . 1 . . . A 70 ASN CA . 18670 1 764 . 1 1 72 72 ASN CB C 13 39.017 0.01 . 1 . . . A 70 ASN CB . 18670 1 765 . 1 1 72 72 ASN ND2 N 15 112.336 0.024 . 1 . . . A 70 ASN ND2 . 18670 1 766 . 1 1 73 73 SER H H 1 7.845 0.004 . 1 . . . A 71 SER H . 18670 1 767 . 1 1 73 73 SER HA H 1 4.494 0 . 1 . . . A 71 SER HA . 18670 1 768 . 1 1 73 73 SER HB3 H 1 3.923 0 . 1 . . . A 71 SER HB3 . 18670 1 769 . 1 1 73 73 SER C C 13 173.499 0 . 1 . . . A 71 SER C . 18670 1 770 . 1 1 73 73 SER CA C 13 58.612 0.003 . 1 . . . A 71 SER CA . 18670 1 771 . 1 1 73 73 SER CB C 13 64.236 0.041 . 1 . . . A 71 SER CB . 18670 1 772 . 1 1 73 73 SER N N 15 115.005 0.026 . 1 . . . A 71 SER N . 18670 1 773 . 1 1 74 74 ALA H H 1 7.825 0.001 . 1 . . . A 72 ALA H . 18670 1 774 . 1 1 74 74 ALA HA H 1 4.493 0 . 1 . . . A 72 ALA HA . 18670 1 775 . 1 1 74 74 ALA HB1 H 1 1.377 0 . 1 . . . A 72 ALA HB1 . 18670 1 776 . 1 1 74 74 ALA HB2 H 1 1.377 0 . 1 . . . A 72 ALA HB2 . 18670 1 777 . 1 1 74 74 ALA HB3 H 1 1.377 0 . 1 . . . A 72 ALA HB3 . 18670 1 778 . 1 1 74 74 ALA CA C 13 54.114 0.002 . 1 . . . A 72 ALA CA . 18670 1 779 . 1 1 74 74 ALA CB C 13 20.077 0.042 . 1 . . . A 72 ALA CB . 18670 1 780 . 1 1 74 74 ALA N N 15 131.227 0.029 . 1 . . . A 72 ALA N . 18670 1 stop_ save_