################################### # 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 16649 _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 4 '3D HNCO' . . . 16649 1 10 13C/15N-NOESY . . . 16649 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 9 $CARA . . 16649 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 3 3 GLU HA H 1 4.429 0.020 . 1 . . . . . 3 GLU HA . 16649 1 2 . 1 1 3 3 GLU HB2 H 1 2.167 0.020 . 2 . . . . . 3 GLU HB2 . 16649 1 3 . 1 1 3 3 GLU HB3 H 1 1.904 0.020 . 2 . . . . . 3 GLU HB3 . 16649 1 4 . 1 1 3 3 GLU HG2 H 1 2.326 0.020 . 2 . . . . . 3 GLU HG2 . 16649 1 5 . 1 1 3 3 GLU HG3 H 1 2.326 0.020 . 2 . . . . . 3 GLU HG3 . 16649 1 6 . 1 1 3 3 GLU C C 13 176.701 0.400 . 1 . . . . . 3 GLU C . 16649 1 7 . 1 1 3 3 GLU CA C 13 55.895 0.400 . 1 . . . . . 3 GLU CA . 16649 1 8 . 1 1 3 3 GLU CB C 13 30.531 0.400 . 1 . . . . . 3 GLU CB . 16649 1 9 . 1 1 3 3 GLU CG C 13 36.047 0.400 . 1 . . . . . 3 GLU CG . 16649 1 10 . 1 1 4 4 LEU H H 1 8.616 0.020 . 1 . . . . . 4 LEU H . 16649 1 11 . 1 1 4 4 LEU HA H 1 4.495 0.020 . 1 . . . . . 4 LEU HA . 16649 1 12 . 1 1 4 4 LEU HB2 H 1 1.769 0.020 . 1 . . . . . 4 LEU HB2 . 16649 1 13 . 1 1 4 4 LEU HB3 H 1 1.560 0.020 . 1 . . . . . 4 LEU HB3 . 16649 1 14 . 1 1 4 4 LEU HD11 H 1 0.870 0.020 . 1 . . . . . 4 LEU HD1 . 16649 1 15 . 1 1 4 4 LEU HD12 H 1 0.870 0.020 . 1 . . . . . 4 LEU HD1 . 16649 1 16 . 1 1 4 4 LEU HD13 H 1 0.870 0.020 . 1 . . . . . 4 LEU HD1 . 16649 1 17 . 1 1 4 4 LEU HD21 H 1 0.854 0.020 . 1 . . . . . 4 LEU HD2 . 16649 1 18 . 1 1 4 4 LEU HD22 H 1 0.854 0.020 . 1 . . . . . 4 LEU HD2 . 16649 1 19 . 1 1 4 4 LEU HD23 H 1 0.854 0.020 . 1 . . . . . 4 LEU HD2 . 16649 1 20 . 1 1 4 4 LEU HG H 1 1.703 0.020 . 1 . . . . . 4 LEU HG . 16649 1 21 . 1 1 4 4 LEU C C 13 177.998 0.400 . 1 . . . . . 4 LEU C . 16649 1 22 . 1 1 4 4 LEU CA C 13 54.821 0.400 . 1 . . . . . 4 LEU CA . 16649 1 23 . 1 1 4 4 LEU CB C 13 42.562 0.400 . 1 . . . . . 4 LEU CB . 16649 1 24 . 1 1 4 4 LEU CD1 C 13 26.457 0.400 . 1 . . . . . 4 LEU CD1 . 16649 1 25 . 1 1 4 4 LEU CD2 C 13 23.481 0.400 . 1 . . . . . 4 LEU CD2 . 16649 1 26 . 1 1 4 4 LEU CG C 13 27.459 0.400 . 1 . . . . . 4 LEU CG . 16649 1 27 . 1 1 4 4 LEU N N 15 123.700 0.400 . 1 . . . . . 4 LEU N . 16649 1 28 . 1 1 5 5 SER H H 1 8.787 0.020 . 1 . . . . . 5 SER H . 16649 1 29 . 1 1 5 5 SER HA H 1 4.701 0.020 . 1 . . . . . 5 SER HA . 16649 1 30 . 1 1 5 5 SER HB2 H 1 3.954 0.020 . 2 . . . . . 5 SER HB2 . 16649 1 31 . 1 1 5 5 SER HB3 H 1 3.954 0.020 . 2 . . . . . 5 SER HB3 . 16649 1 32 . 1 1 5 5 SER C C 13 172.700 0.400 . 1 . . . . . 5 SER C . 16649 1 33 . 1 1 5 5 SER CA C 13 58.713 0.400 . 1 . . . . . 5 SER CA . 16649 1 34 . 1 1 5 5 SER CB C 13 64.179 0.400 . 1 . . . . . 5 SER CB . 16649 1 35 . 1 1 5 5 SER N N 15 118.879 0.400 . 1 . . . . . 5 SER N . 16649 1 36 . 1 1 6 6 TRP H H 1 8.882 0.020 . 1 . . . . . 6 TRP H . 16649 1 37 . 1 1 6 6 TRP HA H 1 5.349 0.020 . 1 . . . . . 6 TRP HA . 16649 1 38 . 1 1 6 6 TRP HB2 H 1 3.205 0.020 . 2 . . . . . 6 TRP HB2 . 16649 1 39 . 1 1 6 6 TRP HB3 H 1 3.205 0.020 . 2 . . . . . 6 TRP HB3 . 16649 1 40 . 1 1 6 6 TRP HD1 H 1 7.364 0.020 . 1 . . . . . 6 TRP HD1 . 16649 1 41 . 1 1 6 6 TRP HE1 H 1 12.079 0.020 . 1 . . . . . 6 TRP HE1 . 16649 1 42 . 1 1 6 6 TRP HE3 H 1 7.003 0.020 . 1 . . . . . 6 TRP HE3 . 16649 1 43 . 1 1 6 6 TRP HH2 H 1 6.957 0.020 . 1 . . . . . 6 TRP HH2 . 16649 1 44 . 1 1 6 6 TRP HZ2 H 1 7.788 0.020 . 1 . . . . . 6 TRP HZ2 . 16649 1 45 . 1 1 6 6 TRP HZ3 H 1 6.712 0.020 . 1 . . . . . 6 TRP HZ3 . 16649 1 46 . 1 1 6 6 TRP C C 13 177.668 0.400 . 1 . . . . . 6 TRP C . 16649 1 47 . 1 1 6 6 TRP CA C 13 56.000 0.400 . 1 . . . . . 6 TRP CA . 16649 1 48 . 1 1 6 6 TRP CB C 13 31.077 0.400 . 1 . . . . . 6 TRP CB . 16649 1 49 . 1 1 6 6 TRP CD1 C 13 125.216 0.400 . 1 . . . . . 6 TRP CD1 . 16649 1 50 . 1 1 6 6 TRP CE3 C 13 120.401 0.400 . 1 . . . . . 6 TRP CE3 . 16649 1 51 . 1 1 6 6 TRP CH2 C 13 121.795 0.400 . 1 . . . . . 6 TRP CH2 . 16649 1 52 . 1 1 6 6 TRP CZ2 C 13 115.365 0.400 . 1 . . . . . 6 TRP CZ2 . 16649 1 53 . 1 1 6 6 TRP CZ3 C 13 121.674 0.400 . 1 . . . . . 6 TRP CZ3 . 16649 1 54 . 1 1 6 6 TRP N N 15 124.139 0.400 . 1 . . . . . 6 TRP N . 16649 1 55 . 1 1 6 6 TRP NE1 N 15 137.528 0.400 . 1 . . . . . 6 TRP NE1 . 16649 1 56 . 1 1 7 7 THR H H 1 8.441 0.020 . 1 . . . . . 7 THR H . 16649 1 57 . 1 1 7 7 THR HA H 1 4.472 0.020 . 1 . . . . . 7 THR HA . 16649 1 58 . 1 1 7 7 THR HB H 1 4.940 0.020 . 1 . . . . . 7 THR HB . 16649 1 59 . 1 1 7 7 THR HG1 H 1 5.430 0.020 . 1 . . . . . 7 THR HG1 . 16649 1 60 . 1 1 7 7 THR HG21 H 1 1.345 0.020 . 1 . . . . . 7 THR HG2 . 16649 1 61 . 1 1 7 7 THR HG22 H 1 1.345 0.020 . 1 . . . . . 7 THR HG2 . 16649 1 62 . 1 1 7 7 THR HG23 H 1 1.345 0.020 . 1 . . . . . 7 THR HG2 . 16649 1 63 . 1 1 7 7 THR C C 13 175.090 0.400 . 1 . . . . . 7 THR C . 16649 1 64 . 1 1 7 7 THR CA C 13 60.541 0.400 . 1 . . . . . 7 THR CA . 16649 1 65 . 1 1 7 7 THR CB C 13 70.841 0.400 . 1 . . . . . 7 THR CB . 16649 1 66 . 1 1 7 7 THR CG2 C 13 23.283 0.400 . 1 . . . . . 7 THR CG2 . 16649 1 67 . 1 1 7 7 THR N N 15 112.035 0.400 . 1 . . . . . 7 THR N . 16649 1 68 . 1 1 8 8 ALA H H 1 9.025 0.020 . 1 . . . . . 8 ALA H . 16649 1 69 . 1 1 8 8 ALA HA H 1 4.212 0.020 . 1 . . . . . 8 ALA HA . 16649 1 70 . 1 1 8 8 ALA HB1 H 1 1.517 0.020 . 1 . . . . . 8 ALA HB . 16649 1 71 . 1 1 8 8 ALA HB2 H 1 1.517 0.020 . 1 . . . . . 8 ALA HB . 16649 1 72 . 1 1 8 8 ALA HB3 H 1 1.517 0.020 . 1 . . . . . 8 ALA HB . 16649 1 73 . 1 1 8 8 ALA C C 13 181.184 0.400 . 1 . . . . . 8 ALA C . 16649 1 74 . 1 1 8 8 ALA CA C 13 55.100 0.400 . 1 . . . . . 8 ALA CA . 16649 1 75 . 1 1 8 8 ALA CB C 13 17.765 0.400 . 1 . . . . . 8 ALA CB . 16649 1 76 . 1 1 8 8 ALA N N 15 124.158 0.400 . 1 . . . . . 8 ALA N . 16649 1 77 . 1 1 9 9 GLU H H 1 8.660 0.020 . 1 . . . . . 9 GLU H . 16649 1 78 . 1 1 9 9 GLU HA H 1 4.019 0.020 . 1 . . . . . 9 GLU HA . 16649 1 79 . 1 1 9 9 GLU HB2 H 1 1.941 0.020 . 2 . . . . . 9 GLU HB2 . 16649 1 80 . 1 1 9 9 GLU HB3 H 1 2.149 0.020 . 2 . . . . . 9 GLU HB3 . 16649 1 81 . 1 1 9 9 GLU HG2 H 1 2.343 0.020 . 2 . . . . . 9 GLU HG2 . 16649 1 82 . 1 1 9 9 GLU HG3 H 1 2.343 0.020 . 2 . . . . . 9 GLU HG3 . 16649 1 83 . 1 1 9 9 GLU C C 13 178.840 0.400 . 1 . . . . . 9 GLU C . 16649 1 84 . 1 1 9 9 GLU CA C 13 59.265 0.400 . 1 . . . . . 9 GLU CA . 16649 1 85 . 1 1 9 9 GLU CB C 13 29.945 0.400 . 1 . . . . . 9 GLU CB . 16649 1 86 . 1 1 9 9 GLU CG C 13 36.096 0.400 . 1 . . . . . 9 GLU CG . 16649 1 87 . 1 1 9 9 GLU N N 15 117.444 0.400 . 1 . . . . . 9 GLU N . 16649 1 88 . 1 1 10 10 ALA H H 1 7.689 0.020 . 1 . . . . . 10 ALA H . 16649 1 89 . 1 1 10 10 ALA HA H 1 3.979 0.020 . 1 . . . . . 10 ALA HA . 16649 1 90 . 1 1 10 10 ALA HB1 H 1 1.353 0.020 . 1 . . . . . 10 ALA HB . 16649 1 91 . 1 1 10 10 ALA HB2 H 1 1.353 0.020 . 1 . . . . . 10 ALA HB . 16649 1 92 . 1 1 10 10 ALA HB3 H 1 1.353 0.020 . 1 . . . . . 10 ALA HB . 16649 1 93 . 1 1 10 10 ALA C C 13 179.661 0.400 . 1 . . . . . 10 ALA C . 16649 1 94 . 1 1 10 10 ALA CA C 13 55.589 0.400 . 1 . . . . . 10 ALA CA . 16649 1 95 . 1 1 10 10 ALA CB C 13 18.841 0.400 . 1 . . . . . 10 ALA CB . 16649 1 96 . 1 1 10 10 ALA N N 15 122.877 0.400 . 1 . . . . . 10 ALA N . 16649 1 97 . 1 1 11 11 GLU H H 1 8.799 0.020 . 1 . . . . . 11 GLU H . 16649 1 98 . 1 1 11 11 GLU HA H 1 4.060 0.020 . 1 . . . . . 11 GLU HA . 16649 1 99 . 1 1 11 11 GLU HB2 H 1 2.044 0.020 . 2 . . . . . 11 GLU HB2 . 16649 1 100 . 1 1 11 11 GLU HB3 H 1 2.186 0.020 . 2 . . . . . 11 GLU HB3 . 16649 1 101 . 1 1 11 11 GLU HG2 H 1 2.418 0.020 . 2 . . . . . 11 GLU HG2 . 16649 1 102 . 1 1 11 11 GLU HG3 H 1 2.249 0.020 . 2 . . . . . 11 GLU HG3 . 16649 1 103 . 1 1 11 11 GLU C C 13 180.130 0.400 . 1 . . . . . 11 GLU C . 16649 1 104 . 1 1 11 11 GLU CA C 13 59.594 0.400 . 1 . . . . . 11 GLU CA . 16649 1 105 . 1 1 11 11 GLU CB C 13 29.117 0.400 . 1 . . . . . 11 GLU CB . 16649 1 106 . 1 1 11 11 GLU CG C 13 36.368 0.400 . 1 . . . . . 11 GLU CG . 16649 1 107 . 1 1 11 11 GLU N N 15 117.919 0.400 . 1 . . . . . 11 GLU N . 16649 1 108 . 1 1 12 12 LYS H H 1 8.033 0.020 . 1 . . . . . 12 LYS H . 16649 1 109 . 1 1 12 12 LYS HA H 1 4.044 0.020 . 1 . . . . . 12 LYS HA . 16649 1 110 . 1 1 12 12 LYS HB2 H 1 1.941 0.020 . 2 . . . . . 12 LYS HB2 . 16649 1 111 . 1 1 12 12 LYS HB3 H 1 1.941 0.020 . 2 . . . . . 12 LYS HB3 . 16649 1 112 . 1 1 12 12 LYS HD2 H 1 1.696 0.020 . 2 . . . . . 12 LYS HD2 . 16649 1 113 . 1 1 12 12 LYS HD3 H 1 1.696 0.020 . 2 . . . . . 12 LYS HD3 . 16649 1 114 . 1 1 12 12 LYS HE2 H 1 2.961 0.020 . 2 . . . . . 12 LYS HE2 . 16649 1 115 . 1 1 12 12 LYS HE3 H 1 2.961 0.020 . 2 . . . . . 12 LYS HE3 . 16649 1 116 . 1 1 12 12 LYS HG2 H 1 1.595 0.020 . 2 . . . . . 12 LYS HG2 . 16649 1 117 . 1 1 12 12 LYS HG3 H 1 1.400 0.020 . 2 . . . . . 12 LYS HG3 . 16649 1 118 . 1 1 12 12 LYS C C 13 179.895 0.400 . 1 . . . . . 12 LYS C . 16649 1 119 . 1 1 12 12 LYS CA C 13 59.156 0.400 . 1 . . . . . 12 LYS CA . 16649 1 120 . 1 1 12 12 LYS CB C 13 31.908 0.400 . 1 . . . . . 12 LYS CB . 16649 1 121 . 1 1 12 12 LYS CD C 13 29.170 0.400 . 1 . . . . . 12 LYS CD . 16649 1 122 . 1 1 12 12 LYS CE C 13 41.866 0.400 . 1 . . . . . 12 LYS CE . 16649 1 123 . 1 1 12 12 LYS CG C 13 25.067 0.400 . 1 . . . . . 12 LYS CG . 16649 1 124 . 1 1 12 12 LYS N N 15 120.960 0.400 . 1 . . . . . 12 LYS N . 16649 1 125 . 1 1 13 13 MET H H 1 7.508 0.020 . 1 . . . . . 13 MET H . 16649 1 126 . 1 1 13 13 MET HA H 1 3.885 0.020 . 1 . . . . . 13 MET HA . 16649 1 127 . 1 1 13 13 MET HB2 H 1 1.903 0.020 . 2 . . . . . 13 MET HB2 . 16649 1 128 . 1 1 13 13 MET HB3 H 1 1.711 0.020 . 2 . . . . . 13 MET HB3 . 16649 1 129 . 1 1 13 13 MET HE1 H 1 2.129 0.020 . 1 . . . . . 13 MET HE . 16649 1 130 . 1 1 13 13 MET HE2 H 1 2.129 0.020 . 1 . . . . . 13 MET HE . 16649 1 131 . 1 1 13 13 MET HE3 H 1 2.129 0.020 . 1 . . . . . 13 MET HE . 16649 1 132 . 1 1 13 13 MET HG2 H 1 2.766 0.020 . 2 . . . . . 13 MET HG2 . 16649 1 133 . 1 1 13 13 MET HG3 H 1 2.451 0.020 . 2 . . . . . 13 MET HG3 . 16649 1 134 . 1 1 13 13 MET C C 13 179.661 0.400 . 1 . . . . . 13 MET C . 16649 1 135 . 1 1 13 13 MET CA C 13 59.202 0.400 . 1 . . . . . 13 MET CA . 16649 1 136 . 1 1 13 13 MET CB C 13 32.133 0.400 . 1 . . . . . 13 MET CB . 16649 1 137 . 1 1 13 13 MET CE C 13 17.498 0.400 . 1 . . . . . 13 MET CE . 16649 1 138 . 1 1 13 13 MET CG C 13 32.262 0.400 . 1 . . . . . 13 MET CG . 16649 1 139 . 1 1 13 13 MET N N 15 119.117 0.400 . 1 . . . . . 13 MET N . 16649 1 140 . 1 1 14 14 LEU H H 1 8.153 0.020 . 1 . . . . . 14 LEU H . 16649 1 141 . 1 1 14 14 LEU HA H 1 4.112 0.020 . 1 . . . . . 14 LEU HA . 16649 1 142 . 1 1 14 14 LEU HB2 H 1 1.670 0.020 . 2 . . . . . 14 LEU HB2 . 16649 1 143 . 1 1 14 14 LEU HB3 H 1 1.892 0.020 . 2 . . . . . 14 LEU HB3 . 16649 1 144 . 1 1 14 14 LEU HD11 H 1 1.019 0.020 . 1 . . . . . 14 LEU HD1 . 16649 1 145 . 1 1 14 14 LEU HD12 H 1 1.019 0.020 . 1 . . . . . 14 LEU HD1 . 16649 1 146 . 1 1 14 14 LEU HD13 H 1 1.019 0.020 . 1 . . . . . 14 LEU HD1 . 16649 1 147 . 1 1 14 14 LEU HD21 H 1 0.296 0.020 . 1 . . . . . 14 LEU HD2 . 16649 1 148 . 1 1 14 14 LEU HD22 H 1 0.296 0.020 . 1 . . . . . 14 LEU HD2 . 16649 1 149 . 1 1 14 14 LEU HD23 H 1 0.296 0.020 . 1 . . . . . 14 LEU HD2 . 16649 1 150 . 1 1 14 14 LEU HG H 1 1.432 0.020 . 1 . . . . . 14 LEU HG . 16649 1 151 . 1 1 14 14 LEU C C 13 178.254 0.400 . 1 . . . . . 14 LEU C . 16649 1 152 . 1 1 14 14 LEU CA C 13 57.187 0.400 . 1 . . . . . 14 LEU CA . 16649 1 153 . 1 1 14 14 LEU CB C 13 41.063 0.400 . 1 . . . . . 14 LEU CB . 16649 1 154 . 1 1 14 14 LEU CD1 C 13 22.975 0.400 . 1 . . . . . 14 LEU CD1 . 16649 1 155 . 1 1 14 14 LEU CD2 C 13 25.385 0.400 . 1 . . . . . 14 LEU CD2 . 16649 1 156 . 1 1 14 14 LEU CG C 13 26.411 0.400 . 1 . . . . . 14 LEU CG . 16649 1 157 . 1 1 14 14 LEU N N 15 123.169 0.400 . 1 . . . . . 14 LEU N . 16649 1 158 . 1 1 15 15 GLY H H 1 7.860 0.020 . 1 . . . . . 15 GLY H . 16649 1 159 . 1 1 15 15 GLY HA2 H 1 3.780 0.020 . 2 . . . . . 15 GLY HA2 . 16649 1 160 . 1 1 15 15 GLY HA3 H 1 3.780 0.020 . 2 . . . . . 15 GLY HA3 . 16649 1 161 . 1 1 15 15 GLY C C 13 174.269 0.400 . 1 . . . . . 15 GLY C . 16649 1 162 . 1 1 15 15 GLY CA C 13 45.966 0.400 . 1 . . . . . 15 GLY CA . 16649 1 163 . 1 1 15 15 GLY N N 15 103.709 0.400 . 1 . . . . . 15 GLY N . 16649 1 164 . 1 1 16 16 LYS H H 1 7.231 0.020 . 1 . . . . . 16 LYS H . 16649 1 165 . 1 1 16 16 LYS HA H 1 4.286 0.020 . 1 . . . . . 16 LYS HA . 16649 1 166 . 1 1 16 16 LYS HB2 H 1 2.072 0.020 . 2 . . . . . 16 LYS HB2 . 16649 1 167 . 1 1 16 16 LYS HB3 H 1 1.892 0.020 . 2 . . . . . 16 LYS HB3 . 16649 1 168 . 1 1 16 16 LYS HD2 H 1 1.693 0.020 . 2 . . . . . 16 LYS HD2 . 16649 1 169 . 1 1 16 16 LYS HD3 H 1 1.693 0.020 . 2 . . . . . 16 LYS HD3 . 16649 1 170 . 1 1 16 16 LYS HE2 H 1 2.963 0.020 . 2 . . . . . 16 LYS HE2 . 16649 1 171 . 1 1 16 16 LYS HE3 H 1 2.963 0.020 . 2 . . . . . 16 LYS HE3 . 16649 1 172 . 1 1 16 16 LYS HG2 H 1 1.672 0.020 . 2 . . . . . 16 LYS HG2 . 16649 1 173 . 1 1 16 16 LYS HG3 H 1 1.509 0.020 . 2 . . . . . 16 LYS HG3 . 16649 1 174 . 1 1 16 16 LYS C C 13 177.668 0.400 . 1 . . . . . 16 LYS C . 16649 1 175 . 1 1 16 16 LYS CA C 13 55.953 0.400 . 1 . . . . . 16 LYS CA . 16649 1 176 . 1 1 16 16 LYS CB C 13 32.406 0.400 . 1 . . . . . 16 LYS CB . 16649 1 177 . 1 1 16 16 LYS CD C 13 28.599 0.400 . 1 . . . . . 16 LYS CD . 16649 1 178 . 1 1 16 16 LYS CE C 13 41.972 0.400 . 1 . . . . . 16 LYS CE . 16649 1 179 . 1 1 16 16 LYS CG C 13 24.815 0.400 . 1 . . . . . 16 LYS CG . 16649 1 180 . 1 1 16 16 LYS N N 15 116.661 0.400 . 1 . . . . . 16 LYS N . 16649 1 181 . 1 1 17 17 VAL H H 1 7.844 0.020 . 1 . . . . . 17 VAL H . 16649 1 182 . 1 1 17 17 VAL HA H 1 4.337 0.020 . 1 . . . . . 17 VAL HA . 16649 1 183 . 1 1 17 17 VAL HB H 1 2.533 0.020 . 1 . . . . . 17 VAL HB . 16649 1 184 . 1 1 17 17 VAL HG11 H 1 1.089 0.020 . 1 . . . . . 17 VAL HG1 . 16649 1 185 . 1 1 17 17 VAL HG12 H 1 1.089 0.020 . 1 . . . . . 17 VAL HG1 . 16649 1 186 . 1 1 17 17 VAL HG13 H 1 1.089 0.020 . 1 . . . . . 17 VAL HG1 . 16649 1 187 . 1 1 17 17 VAL HG21 H 1 1.311 0.020 . 1 . . . . . 17 VAL HG2 . 16649 1 188 . 1 1 17 17 VAL HG22 H 1 1.311 0.020 . 1 . . . . . 17 VAL HG2 . 16649 1 189 . 1 1 17 17 VAL HG23 H 1 1.311 0.020 . 1 . . . . . 17 VAL HG2 . 16649 1 190 . 1 1 17 17 VAL CA C 13 60.084 0.400 . 1 . . . . . 17 VAL CA . 16649 1 191 . 1 1 17 17 VAL CB C 13 31.965 0.400 . 1 . . . . . 17 VAL CB . 16649 1 192 . 1 1 17 17 VAL CG1 C 13 21.064 0.400 . 1 . . . . . 17 VAL CG1 . 16649 1 193 . 1 1 17 17 VAL CG2 C 13 21.960 0.400 . 1 . . . . . 17 VAL CG2 . 16649 1 194 . 1 1 17 17 VAL N N 15 123.284 0.400 . 1 . . . . . 17 VAL N . 16649 1 195 . 1 1 18 18 PRO HA H 1 4.377 0.020 . 1 . . . . . 18 PRO HA . 16649 1 196 . 1 1 18 18 PRO HB2 H 1 1.620 0.020 . 1 . . . . . 18 PRO HB2 . 16649 1 197 . 1 1 18 18 PRO HB3 H 1 2.430 0.020 . 1 . . . . . 18 PRO HB3 . 16649 1 198 . 1 1 18 18 PRO HD2 H 1 3.493 0.020 . 1 . . . . . 18 PRO HD2 . 16649 1 199 . 1 1 18 18 PRO HD3 H 1 3.996 0.020 . 1 . . . . . 18 PRO HD3 . 16649 1 200 . 1 1 18 18 PRO HG2 H 1 2.089 0.020 . 2 . . . . . 18 PRO HG2 . 16649 1 201 . 1 1 18 18 PRO HG3 H 1 2.089 0.020 . 2 . . . . . 18 PRO HG3 . 16649 1 202 . 1 1 18 18 PRO C C 13 177.434 0.400 . 1 . . . . . 18 PRO C . 16649 1 203 . 1 1 18 18 PRO CA C 13 63.500 0.400 . 1 . . . . . 18 PRO CA . 16649 1 204 . 1 1 18 18 PRO CB C 13 32.555 0.400 . 1 . . . . . 18 PRO CB . 16649 1 205 . 1 1 18 18 PRO CD C 13 50.974 0.400 . 1 . . . . . 18 PRO CD . 16649 1 206 . 1 1 18 18 PRO CG C 13 27.685 0.400 . 1 . . . . . 18 PRO CG . 16649 1 207 . 1 1 19 19 PHE H H 1 8.864 0.020 . 1 . . . . . 19 PHE H . 16649 1 208 . 1 1 19 19 PHE HA H 1 3.873 0.020 . 1 . . . . . 19 PHE HA . 16649 1 209 . 1 1 19 19 PHE HB2 H 1 3.278 0.020 . 2 . . . . . 19 PHE HB2 . 16649 1 210 . 1 1 19 19 PHE HB3 H 1 3.057 0.020 . 2 . . . . . 19 PHE HB3 . 16649 1 211 . 1 1 19 19 PHE HD1 H 1 7.158 0.020 . 1 . . . . . 19 PHE HD1 . 16649 1 212 . 1 1 19 19 PHE HD2 H 1 7.158 0.020 . 1 . . . . . 19 PHE HD2 . 16649 1 213 . 1 1 19 19 PHE HE1 H 1 7.416 0.020 . 1 . . . . . 19 PHE HE1 . 16649 1 214 . 1 1 19 19 PHE HE2 H 1 7.416 0.020 . 1 . . . . . 19 PHE HE2 . 16649 1 215 . 1 1 19 19 PHE C C 13 177.199 0.400 . 1 . . . . . 19 PHE C . 16649 1 216 . 1 1 19 19 PHE CA C 13 62.179 0.400 . 1 . . . . . 19 PHE CA . 16649 1 217 . 1 1 19 19 PHE CB C 13 39.212 0.400 . 1 . . . . . 19 PHE CB . 16649 1 218 . 1 1 19 19 PHE CD1 C 13 131.657 0.400 . 1 . . . . . 19 PHE CD1 . 16649 1 219 . 1 1 19 19 PHE CD2 C 13 131.657 0.400 . 1 . . . . . 19 PHE CD2 . 16649 1 220 . 1 1 19 19 PHE CE1 C 13 131.634 0.400 . 1 . . . . . 19 PHE CE1 . 16649 1 221 . 1 1 19 19 PHE CE2 C 13 131.634 0.400 . 1 . . . . . 19 PHE CE2 . 16649 1 222 . 1 1 19 19 PHE N N 15 123.212 0.400 . 1 . . . . . 19 PHE N . 16649 1 223 . 1 1 20 20 PHE H H 1 8.012 0.020 . 1 . . . . . 20 PHE H . 16649 1 224 . 1 1 20 20 PHE HA H 1 4.333 0.020 . 1 . . . . . 20 PHE HA . 16649 1 225 . 1 1 20 20 PHE HB2 H 1 3.265 0.020 . 2 . . . . . 20 PHE HB2 . 16649 1 226 . 1 1 20 20 PHE HB3 H 1 3.027 0.020 . 2 . . . . . 20 PHE HB3 . 16649 1 227 . 1 1 20 20 PHE HD1 H 1 7.214 0.020 . 1 . . . . . 20 PHE HD1 . 16649 1 228 . 1 1 20 20 PHE HD2 H 1 7.214 0.020 . 1 . . . . . 20 PHE HD2 . 16649 1 229 . 1 1 20 20 PHE HE1 H 1 7.368 0.020 . 1 . . . . . 20 PHE HE1 . 16649 1 230 . 1 1 20 20 PHE HE2 H 1 7.368 0.020 . 1 . . . . . 20 PHE HE2 . 16649 1 231 . 1 1 20 20 PHE C C 13 176.262 0.400 . 1 . . . . . 20 PHE C . 16649 1 232 . 1 1 20 20 PHE CA C 13 59.390 0.400 . 1 . . . . . 20 PHE CA . 16649 1 233 . 1 1 20 20 PHE CB C 13 38.100 0.400 . 1 . . . . . 20 PHE CB . 16649 1 234 . 1 1 20 20 PHE CD1 C 13 131.746 0.400 . 1 . . . . . 20 PHE CD1 . 16649 1 235 . 1 1 20 20 PHE CD2 C 13 131.746 0.400 . 1 . . . . . 20 PHE CD2 . 16649 1 236 . 1 1 20 20 PHE CE1 C 13 130.363 0.400 . 1 . . . . . 20 PHE CE1 . 16649 1 237 . 1 1 20 20 PHE CE2 C 13 130.363 0.400 . 1 . . . . . 20 PHE CE2 . 16649 1 238 . 1 1 20 20 PHE N N 15 114.644 0.400 . 1 . . . . . 20 PHE N . 16649 1 239 . 1 1 21 21 VAL H H 1 7.205 0.020 . 1 . . . . . 21 VAL H . 16649 1 240 . 1 1 21 21 VAL HA H 1 4.599 0.020 . 1 . . . . . 21 VAL HA . 16649 1 241 . 1 1 21 21 VAL HB H 1 2.165 0.020 . 1 . . . . . 21 VAL HB . 16649 1 242 . 1 1 21 21 VAL HG11 H 1 0.722 0.020 . 1 . . . . . 21 VAL HG1 . 16649 1 243 . 1 1 21 21 VAL HG12 H 1 0.722 0.020 . 1 . . . . . 21 VAL HG1 . 16649 1 244 . 1 1 21 21 VAL HG13 H 1 0.722 0.020 . 1 . . . . . 21 VAL HG1 . 16649 1 245 . 1 1 21 21 VAL HG21 H 1 0.752 0.020 . 1 . . . . . 21 VAL HG2 . 16649 1 246 . 1 1 21 21 VAL HG22 H 1 0.752 0.020 . 1 . . . . . 21 VAL HG2 . 16649 1 247 . 1 1 21 21 VAL HG23 H 1 0.752 0.020 . 1 . . . . . 21 VAL HG2 . 16649 1 248 . 1 1 21 21 VAL C C 13 175.676 0.400 . 1 . . . . . 21 VAL C . 16649 1 249 . 1 1 21 21 VAL CA C 13 60.489 0.400 . 1 . . . . . 21 VAL CA . 16649 1 250 . 1 1 21 21 VAL CB C 13 33.034 0.400 . 1 . . . . . 21 VAL CB . 16649 1 251 . 1 1 21 21 VAL CG1 C 13 21.046 0.400 . 1 . . . . . 21 VAL CG1 . 16649 1 252 . 1 1 21 21 VAL CG2 C 13 19.972 0.400 . 1 . . . . . 21 VAL CG2 . 16649 1 253 . 1 1 21 21 VAL N N 15 112.299 0.400 . 1 . . . . . 21 VAL N . 16649 1 254 . 1 1 22 22 ARG H H 1 7.387 0.020 . 1 . . . . . 22 ARG H . 16649 1 255 . 1 1 22 22 ARG HA H 1 3.563 0.020 . 1 . . . . . 22 ARG HA . 16649 1 256 . 1 1 22 22 ARG HB2 H 1 1.889 0.020 . 2 . . . . . 22 ARG HB2 . 16649 1 257 . 1 1 22 22 ARG HB3 H 1 1.557 0.020 . 2 . . . . . 22 ARG HB3 . 16649 1 258 . 1 1 22 22 ARG HD2 H 1 3.130 0.020 . 2 . . . . . 22 ARG HD2 . 16649 1 259 . 1 1 22 22 ARG HD3 H 1 3.130 0.020 . 2 . . . . . 22 ARG HD3 . 16649 1 260 . 1 1 22 22 ARG HE H 1 6.662 0.020 . 1 . . . . . 22 ARG HE . 16649 1 261 . 1 1 22 22 ARG HG2 H 1 1.553 0.020 . 2 . . . . . 22 ARG HG2 . 16649 1 262 . 1 1 22 22 ARG HG3 H 1 1.553 0.020 . 2 . . . . . 22 ARG HG3 . 16649 1 263 . 1 1 22 22 ARG C C 13 177.317 0.400 . 1 . . . . . 22 ARG C . 16649 1 264 . 1 1 22 22 ARG CA C 13 61.224 0.400 . 1 . . . . . 22 ARG CA . 16649 1 265 . 1 1 22 22 ARG CB C 13 30.793 0.400 . 1 . . . . . 22 ARG CB . 16649 1 266 . 1 1 22 22 ARG CD C 13 44.088 0.400 . 1 . . . . . 22 ARG CD . 16649 1 267 . 1 1 22 22 ARG CG C 13 27.427 0.400 . 1 . . . . . 22 ARG CG . 16649 1 268 . 1 1 22 22 ARG N N 15 124.499 0.400 . 1 . . . . . 22 ARG N . 16649 1 269 . 1 1 22 22 ARG NE N 15 83.763 0.400 . 1 . . . . . 22 ARG NE . 16649 1 270 . 1 1 23 23 LYS H H 1 8.301 0.020 . 1 . . . . . 23 LYS H . 16649 1 271 . 1 1 23 23 LYS HA H 1 3.941 0.020 . 1 . . . . . 23 LYS HA . 16649 1 272 . 1 1 23 23 LYS HB2 H 1 1.732 0.020 . 2 . . . . . 23 LYS HB2 . 16649 1 273 . 1 1 23 23 LYS HB3 H 1 1.732 0.020 . 2 . . . . . 23 LYS HB3 . 16649 1 274 . 1 1 23 23 LYS HD2 H 1 1.652 0.020 . 2 . . . . . 23 LYS HD2 . 16649 1 275 . 1 1 23 23 LYS HD3 H 1 1.652 0.020 . 2 . . . . . 23 LYS HD3 . 16649 1 276 . 1 1 23 23 LYS HE2 H 1 2.963 0.020 . 2 . . . . . 23 LYS HE2 . 16649 1 277 . 1 1 23 23 LYS HE3 H 1 2.963 0.020 . 2 . . . . . 23 LYS HE3 . 16649 1 278 . 1 1 23 23 LYS HG2 H 1 1.351 0.020 . 2 . . . . . 23 LYS HG2 . 16649 1 279 . 1 1 23 23 LYS HG3 H 1 1.487 0.020 . 2 . . . . . 23 LYS HG3 . 16649 1 280 . 1 1 23 23 LYS C C 13 179.075 0.400 . 1 . . . . . 23 LYS C . 16649 1 281 . 1 1 23 23 LYS CA C 13 59.606 0.400 . 1 . . . . . 23 LYS CA . 16649 1 282 . 1 1 23 23 LYS CB C 13 31.576 0.400 . 1 . . . . . 23 LYS CB . 16649 1 283 . 1 1 23 23 LYS CD C 13 29.164 0.400 . 1 . . . . . 23 LYS CD . 16649 1 284 . 1 1 23 23 LYS CE C 13 41.875 0.400 . 1 . . . . . 23 LYS CE . 16649 1 285 . 1 1 23 23 LYS CG C 13 25.049 0.400 . 1 . . . . . 23 LYS CG . 16649 1 286 . 1 1 23 23 LYS N N 15 117.133 0.400 . 1 . . . . . 23 LYS N . 16649 1 287 . 1 1 24 24 LYS H H 1 7.569 0.020 . 1 . . . . . 24 LYS H . 16649 1 288 . 1 1 24 24 LYS HA H 1 4.048 0.020 . 1 . . . . . 24 LYS HA . 16649 1 289 . 1 1 24 24 LYS HB2 H 1 1.901 0.020 . 2 . . . . . 24 LYS HB2 . 16649 1 290 . 1 1 24 24 LYS HB3 H 1 1.901 0.020 . 2 . . . . . 24 LYS HB3 . 16649 1 291 . 1 1 24 24 LYS HD2 H 1 1.685 0.020 . 2 . . . . . 24 LYS HD2 . 16649 1 292 . 1 1 24 24 LYS HD3 H 1 1.685 0.020 . 2 . . . . . 24 LYS HD3 . 16649 1 293 . 1 1 24 24 LYS HE2 H 1 2.959 0.020 . 2 . . . . . 24 LYS HE2 . 16649 1 294 . 1 1 24 24 LYS HE3 H 1 2.959 0.020 . 2 . . . . . 24 LYS HE3 . 16649 1 295 . 1 1 24 24 LYS HG2 H 1 1.500 0.020 . 2 . . . . . 24 LYS HG2 . 16649 1 296 . 1 1 24 24 LYS HG3 H 1 1.386 0.020 . 2 . . . . . 24 LYS HG3 . 16649 1 297 . 1 1 24 24 LYS C C 13 178.489 0.400 . 1 . . . . . 24 LYS C . 16649 1 298 . 1 1 24 24 LYS CA C 13 59.080 0.400 . 1 . . . . . 24 LYS CA . 16649 1 299 . 1 1 24 24 LYS CB C 13 31.915 0.400 . 1 . . . . . 24 LYS CB . 16649 1 300 . 1 1 24 24 LYS CD C 13 29.214 0.400 . 1 . . . . . 24 LYS CD . 16649 1 301 . 1 1 24 24 LYS CE C 13 41.940 0.400 . 1 . . . . . 24 LYS CE . 16649 1 302 . 1 1 24 24 LYS CG C 13 24.946 0.400 . 1 . . . . . 24 LYS CG . 16649 1 303 . 1 1 24 24 LYS N N 15 121.315 0.400 . 1 . . . . . 24 LYS N . 16649 1 304 . 1 1 25 25 VAL H H 1 8.266 0.020 . 1 . . . . . 25 VAL H . 16649 1 305 . 1 1 25 25 VAL HA H 1 3.726 0.020 . 1 . . . . . 25 VAL HA . 16649 1 306 . 1 1 25 25 VAL HB H 1 2.111 0.020 . 1 . . . . . 25 VAL HB . 16649 1 307 . 1 1 25 25 VAL HG11 H 1 1.055 0.020 . 1 . . . . . 25 VAL HG1 . 16649 1 308 . 1 1 25 25 VAL HG12 H 1 1.055 0.020 . 1 . . . . . 25 VAL HG1 . 16649 1 309 . 1 1 25 25 VAL HG13 H 1 1.055 0.020 . 1 . . . . . 25 VAL HG1 . 16649 1 310 . 1 1 25 25 VAL HG21 H 1 1.111 0.020 . 1 . . . . . 25 VAL HG2 . 16649 1 311 . 1 1 25 25 VAL HG22 H 1 1.111 0.020 . 1 . . . . . 25 VAL HG2 . 16649 1 312 . 1 1 25 25 VAL HG23 H 1 1.111 0.020 . 1 . . . . . 25 VAL HG2 . 16649 1 313 . 1 1 25 25 VAL C C 13 179.778 0.400 . 1 . . . . . 25 VAL C . 16649 1 314 . 1 1 25 25 VAL CA C 13 66.704 0.400 . 1 . . . . . 25 VAL CA . 16649 1 315 . 1 1 25 25 VAL CB C 13 31.352 0.400 . 1 . . . . . 25 VAL CB . 16649 1 316 . 1 1 25 25 VAL CG1 C 13 21.926 0.400 . 1 . . . . . 25 VAL CG1 . 16649 1 317 . 1 1 25 25 VAL CG2 C 13 23.339 0.400 . 1 . . . . . 25 VAL CG2 . 16649 1 318 . 1 1 25 25 VAL N N 15 120.177 0.400 . 1 . . . . . 25 VAL N . 16649 1 319 . 1 1 26 26 ARG H H 1 8.809 0.020 . 1 . . . . . 26 ARG H . 16649 1 320 . 1 1 26 26 ARG HA H 1 4.170 0.020 . 1 . . . . . 26 ARG HA . 16649 1 321 . 1 1 26 26 ARG HB2 H 1 1.716 0.020 . 2 . . . . . 26 ARG HB2 . 16649 1 322 . 1 1 26 26 ARG HB3 H 1 1.865 0.020 . 2 . . . . . 26 ARG HB3 . 16649 1 323 . 1 1 26 26 ARG HD2 H 1 2.924 0.020 . 2 . . . . . 26 ARG HD2 . 16649 1 324 . 1 1 26 26 ARG HD3 H 1 2.642 0.020 . 2 . . . . . 26 ARG HD3 . 16649 1 325 . 1 1 26 26 ARG HE H 1 7.076 0.020 . 1 . . . . . 26 ARG HE . 16649 1 326 . 1 1 26 26 ARG HG2 H 1 1.510 0.020 . 2 . . . . . 26 ARG HG2 . 16649 1 327 . 1 1 26 26 ARG HG3 H 1 1.160 0.020 . 2 . . . . . 26 ARG HG3 . 16649 1 328 . 1 1 26 26 ARG HH11 H 1 6.666 0.020 . 2 . . . . . 26 ARG HH11 . 16649 1 329 . 1 1 26 26 ARG HH12 H 1 6.666 0.020 . 2 . . . . . 26 ARG HH12 . 16649 1 330 . 1 1 26 26 ARG HH21 H 1 6.184 0.020 . 2 . . . . . 26 ARG HH21 . 16649 1 331 . 1 1 26 26 ARG HH22 H 1 6.184 0.020 . 2 . . . . . 26 ARG HH22 . 16649 1 332 . 1 1 26 26 ARG C C 13 177.584 0.400 . 1 . . . . . 26 ARG C . 16649 1 333 . 1 1 26 26 ARG CA C 13 60.348 0.400 . 1 . . . . . 26 ARG CA . 16649 1 334 . 1 1 26 26 ARG CB C 13 29.878 0.400 . 1 . . . . . 26 ARG CB . 16649 1 335 . 1 1 26 26 ARG CD C 13 42.923 0.400 . 1 . . . . . 26 ARG CD . 16649 1 336 . 1 1 26 26 ARG CG C 13 27.581 0.400 . 1 . . . . . 26 ARG CG . 16649 1 337 . 1 1 26 26 ARG N N 15 124.742 0.400 . 1 . . . . . 26 ARG N . 16649 1 338 . 1 1 26 26 ARG NE N 15 83.947 0.400 . 1 . . . . . 26 ARG NE . 16649 1 339 . 1 1 26 26 ARG NH1 N 15 71.269 0.400 . 1 . . . . . 26 ARG NH1 . 16649 1 340 . 1 1 26 26 ARG NH2 N 15 71.217 0.400 . 1 . . . . . 26 ARG NH2 . 16649 1 341 . 1 1 27 27 LYS H H 1 7.946 0.020 . 1 . . . . . 27 LYS H . 16649 1 342 . 1 1 27 27 LYS HA H 1 4.275 0.020 . 1 . . . . . 27 LYS HA . 16649 1 343 . 1 1 27 27 LYS HB2 H 1 1.979 0.020 . 2 . . . . . 27 LYS HB2 . 16649 1 344 . 1 1 27 27 LYS HB3 H 1 1.979 0.020 . 2 . . . . . 27 LYS HB3 . 16649 1 345 . 1 1 27 27 LYS HD2 H 1 1.760 0.020 . 2 . . . . . 27 LYS HD2 . 16649 1 346 . 1 1 27 27 LYS HD3 H 1 1.760 0.020 . 2 . . . . . 27 LYS HD3 . 16649 1 347 . 1 1 27 27 LYS HE2 H 1 3.015 0.020 . 2 . . . . . 27 LYS HE2 . 16649 1 348 . 1 1 27 27 LYS HE3 H 1 2.961 0.020 . 2 . . . . . 27 LYS HE3 . 16649 1 349 . 1 1 27 27 LYS HG2 H 1 1.520 0.020 . 2 . . . . . 27 LYS HG2 . 16649 1 350 . 1 1 27 27 LYS HG3 H 1 1.595 0.020 . 2 . . . . . 27 LYS HG3 . 16649 1 351 . 1 1 27 27 LYS C C 13 179.075 0.400 . 1 . . . . . 27 LYS C . 16649 1 352 . 1 1 27 27 LYS CA C 13 59.077 0.400 . 1 . . . . . 27 LYS CA . 16649 1 353 . 1 1 27 27 LYS CB C 13 31.928 0.400 . 1 . . . . . 27 LYS CB . 16649 1 354 . 1 1 27 27 LYS CD C 13 28.821 0.400 . 1 . . . . . 27 LYS CD . 16649 1 355 . 1 1 27 27 LYS CE C 13 41.940 0.400 . 1 . . . . . 27 LYS CE . 16649 1 356 . 1 1 27 27 LYS CG C 13 24.412 0.400 . 1 . . . . . 27 LYS CG . 16649 1 357 . 1 1 27 27 LYS N N 15 118.523 0.400 . 1 . . . . . 27 LYS N . 16649 1 358 . 1 1 28 28 ASN H H 1 8.782 0.020 . 1 . . . . . 28 ASN H . 16649 1 359 . 1 1 28 28 ASN HA H 1 4.580 0.020 . 1 . . . . . 28 ASN HA . 16649 1 360 . 1 1 28 28 ASN HB2 H 1 2.937 0.020 . 2 . . . . . 28 ASN HB2 . 16649 1 361 . 1 1 28 28 ASN HB3 H 1 2.813 0.020 . 2 . . . . . 28 ASN HB3 . 16649 1 362 . 1 1 28 28 ASN HD21 H 1 7.720 0.020 . 2 . . . . . 28 ASN HD21 . 16649 1 363 . 1 1 28 28 ASN HD22 H 1 6.934 0.020 . 2 . . . . . 28 ASN HD22 . 16649 1 364 . 1 1 28 28 ASN C C 13 178.606 0.400 . 1 . . . . . 28 ASN C . 16649 1 365 . 1 1 28 28 ASN CA C 13 55.700 0.400 . 1 . . . . . 28 ASN CA . 16649 1 366 . 1 1 28 28 ASN CB C 13 38.226 0.400 . 1 . . . . . 28 ASN CB . 16649 1 367 . 1 1 28 28 ASN N N 15 117.451 0.400 . 1 . . . . . 28 ASN N . 16649 1 368 . 1 1 28 28 ASN ND2 N 15 111.425 0.400 . 1 . . . . . 28 ASN ND2 . 16649 1 369 . 1 1 29 29 THR H H 1 8.641 0.020 . 1 . . . . . 29 THR H . 16649 1 370 . 1 1 29 29 THR HA H 1 4.728 0.020 . 1 . . . . . 29 THR HA . 16649 1 371 . 1 1 29 29 THR HB H 1 3.827 0.020 . 1 . . . . . 29 THR HB . 16649 1 372 . 1 1 29 29 THR HG1 H 1 4.808 0.020 . 1 . . . . . 29 THR HG1 . 16649 1 373 . 1 1 29 29 THR HG21 H 1 1.060 0.020 . 1 . . . . . 29 THR HG2 . 16649 1 374 . 1 1 29 29 THR HG22 H 1 1.060 0.020 . 1 . . . . . 29 THR HG2 . 16649 1 375 . 1 1 29 29 THR HG23 H 1 1.060 0.020 . 1 . . . . . 29 THR HG2 . 16649 1 376 . 1 1 29 29 THR C C 13 175.101 0.400 . 1 . . . . . 29 THR C . 16649 1 377 . 1 1 29 29 THR CA C 13 67.885 0.400 . 1 . . . . . 29 THR CA . 16649 1 378 . 1 1 29 29 THR CB C 13 67.899 0.400 . 1 . . . . . 29 THR CB . 16649 1 379 . 1 1 29 29 THR CG2 C 13 22.571 0.400 . 1 . . . . . 29 THR CG2 . 16649 1 380 . 1 1 29 29 THR N N 15 120.396 0.400 . 1 . . . . . 29 THR N . 16649 1 381 . 1 1 30 30 ASP H H 1 8.871 0.020 . 1 . . . . . 30 ASP H . 16649 1 382 . 1 1 30 30 ASP HA H 1 4.340 0.020 . 1 . . . . . 30 ASP HA . 16649 1 383 . 1 1 30 30 ASP HB2 H 1 3.034 0.020 . 2 . . . . . 30 ASP HB2 . 16649 1 384 . 1 1 30 30 ASP HB3 H 1 2.716 0.020 . 2 . . . . . 30 ASP HB3 . 16649 1 385 . 1 1 30 30 ASP C C 13 178.440 0.400 . 1 . . . . . 30 ASP C . 16649 1 386 . 1 1 30 30 ASP CA C 13 57.709 0.400 . 1 . . . . . 30 ASP CA . 16649 1 387 . 1 1 30 30 ASP CB C 13 40.390 0.400 . 1 . . . . . 30 ASP CB . 16649 1 388 . 1 1 30 30 ASP N N 15 124.756 0.400 . 1 . . . . . 30 ASP N . 16649 1 389 . 1 1 31 31 ASN H H 1 8.297 0.020 . 1 . . . . . 31 ASN H . 16649 1 390 . 1 1 31 31 ASN HA H 1 4.433 0.020 . 1 . . . . . 31 ASN HA . 16649 1 391 . 1 1 31 31 ASN HB2 H 1 2.948 0.020 . 2 . . . . . 31 ASN HB2 . 16649 1 392 . 1 1 31 31 ASN HB3 H 1 3.005 0.020 . 2 . . . . . 31 ASN HB3 . 16649 1 393 . 1 1 31 31 ASN HD21 H 1 7.874 0.020 . 1 . . . . . 31 ASN HD21 . 16649 1 394 . 1 1 31 31 ASN HD22 H 1 6.917 0.020 . 1 . . . . . 31 ASN HD22 . 16649 1 395 . 1 1 31 31 ASN C C 13 177.668 0.400 . 1 . . . . . 31 ASN C . 16649 1 396 . 1 1 31 31 ASN CA C 13 55.998 0.400 . 1 . . . . . 31 ASN CA . 16649 1 397 . 1 1 31 31 ASN CB C 13 38.004 0.400 . 1 . . . . . 31 ASN CB . 16649 1 398 . 1 1 31 31 ASN N N 15 116.200 0.400 . 1 . . . . . 31 ASN N . 16649 1 399 . 1 1 31 31 ASN ND2 N 15 112.117 0.400 . 1 . . . . . 31 ASN ND2 . 16649 1 400 . 1 1 32 32 TYR H H 1 7.996 0.020 . 1 . . . . . 32 TYR H . 16649 1 401 . 1 1 32 32 TYR HA H 1 4.181 0.020 . 1 . . . . . 32 TYR HA . 16649 1 402 . 1 1 32 32 TYR HB2 H 1 3.113 0.020 . 2 . . . . . 32 TYR HB2 . 16649 1 403 . 1 1 32 32 TYR HB3 H 1 3.176 0.020 . 2 . . . . . 32 TYR HB3 . 16649 1 404 . 1 1 32 32 TYR HD1 H 1 6.802 0.020 . 1 . . . . . 32 TYR HD1 . 16649 1 405 . 1 1 32 32 TYR HD2 H 1 6.802 0.020 . 1 . . . . . 32 TYR HD2 . 16649 1 406 . 1 1 32 32 TYR HE1 H 1 6.318 0.020 . 1 . . . . . 32 TYR HE1 . 16649 1 407 . 1 1 32 32 TYR HE2 H 1 6.318 0.020 . 1 . . . . . 32 TYR HE2 . 16649 1 408 . 1 1 32 32 TYR C C 13 176.145 0.400 . 1 . . . . . 32 TYR C . 16649 1 409 . 1 1 32 32 TYR CA C 13 61.509 0.400 . 1 . . . . . 32 TYR CA . 16649 1 410 . 1 1 32 32 TYR CB C 13 38.257 0.400 . 1 . . . . . 32 TYR CB . 16649 1 411 . 1 1 32 32 TYR CD1 C 13 132.105 0.400 . 1 . . . . . 32 TYR CD1 . 16649 1 412 . 1 1 32 32 TYR CD2 C 13 132.105 0.400 . 1 . . . . . 32 TYR CD2 . 16649 1 413 . 1 1 32 32 TYR CE1 C 13 117.794 0.400 . 1 . . . . . 32 TYR CE1 . 16649 1 414 . 1 1 32 32 TYR CE2 C 13 117.794 0.400 . 1 . . . . . 32 TYR CE2 . 16649 1 415 . 1 1 32 32 TYR N N 15 122.561 0.400 . 1 . . . . . 32 TYR N . 16649 1 416 . 1 1 33 33 ALA H H 1 8.652 0.020 . 1 . . . . . 33 ALA H . 16649 1 417 . 1 1 33 33 ALA HA H 1 3.595 0.020 . 1 . . . . . 33 ALA HA . 16649 1 418 . 1 1 33 33 ALA HB1 H 1 1.382 0.020 . 1 . . . . . 33 ALA HB . 16649 1 419 . 1 1 33 33 ALA HB2 H 1 1.382 0.020 . 1 . . . . . 33 ALA HB . 16649 1 420 . 1 1 33 33 ALA HB3 H 1 1.382 0.020 . 1 . . . . . 33 ALA HB . 16649 1 421 . 1 1 33 33 ALA C C 13 179.426 0.400 . 1 . . . . . 33 ALA C . 16649 1 422 . 1 1 33 33 ALA CA C 13 55.178 0.400 . 1 . . . . . 33 ALA CA . 16649 1 423 . 1 1 33 33 ALA CB C 13 17.829 0.400 . 1 . . . . . 33 ALA CB . 16649 1 424 . 1 1 33 33 ALA N N 15 120.907 0.400 . 1 . . . . . 33 ALA N . 16649 1 425 . 1 1 34 34 ARG H H 1 8.105 0.020 . 1 . . . . . 34 ARG H . 16649 1 426 . 1 1 34 34 ARG HA H 1 4.037 0.020 . 1 . . . . . 34 ARG HA . 16649 1 427 . 1 1 34 34 ARG HB2 H 1 1.823 0.020 . 2 . . . . . 34 ARG HB2 . 16649 1 428 . 1 1 34 34 ARG HB3 H 1 1.940 0.020 . 2 . . . . . 34 ARG HB3 . 16649 1 429 . 1 1 34 34 ARG HD2 H 1 3.282 0.020 . 2 . . . . . 34 ARG HD2 . 16649 1 430 . 1 1 34 34 ARG HD3 H 1 3.200 0.020 . 2 . . . . . 34 ARG HD3 . 16649 1 431 . 1 1 34 34 ARG HE H 1 7.474 0.020 . 1 . . . . . 34 ARG HE . 16649 1 432 . 1 1 34 34 ARG HG2 H 1 1.660 0.020 . 2 . . . . . 34 ARG HG2 . 16649 1 433 . 1 1 34 34 ARG HG3 H 1 1.660 0.020 . 2 . . . . . 34 ARG HG3 . 16649 1 434 . 1 1 34 34 ARG C C 13 180.247 0.400 . 1 . . . . . 34 ARG C . 16649 1 435 . 1 1 34 34 ARG CA C 13 59.244 0.400 . 1 . . . . . 34 ARG CA . 16649 1 436 . 1 1 34 34 ARG CB C 13 29.996 0.400 . 1 . . . . . 34 ARG CB . 16649 1 437 . 1 1 34 34 ARG CD C 13 43.272 0.400 . 1 . . . . . 34 ARG CD . 16649 1 438 . 1 1 34 34 ARG CG C 13 28.727 0.400 . 1 . . . . . 34 ARG CG . 16649 1 439 . 1 1 34 34 ARG N N 15 115.180 0.400 . 1 . . . . . 34 ARG N . 16649 1 440 . 1 1 34 34 ARG NE N 15 85.188 0.400 . 1 . . . . . 34 ARG NE . 16649 1 441 . 1 1 35 35 GLU H H 1 7.965 0.020 . 1 . . . . . 35 GLU H . 16649 1 442 . 1 1 35 35 GLU HA H 1 3.944 0.020 . 1 . . . . . 35 GLU HA . 16649 1 443 . 1 1 35 35 GLU HB2 H 1 2.034 0.020 . 2 . . . . . 35 GLU HB2 . 16649 1 444 . 1 1 35 35 GLU HB3 H 1 2.167 0.020 . 2 . . . . . 35 GLU HB3 . 16649 1 445 . 1 1 35 35 GLU HG2 H 1 2.351 0.020 . 2 . . . . . 35 GLU HG2 . 16649 1 446 . 1 1 35 35 GLU HG3 H 1 2.157 0.020 . 2 . . . . . 35 GLU HG3 . 16649 1 447 . 1 1 35 35 GLU C C 13 178.958 0.400 . 1 . . . . . 35 GLU C . 16649 1 448 . 1 1 35 35 GLU CA C 13 59.352 0.400 . 1 . . . . . 35 GLU CA . 16649 1 449 . 1 1 35 35 GLU CB C 13 29.277 0.400 . 1 . . . . . 35 GLU CB . 16649 1 450 . 1 1 35 35 GLU CG C 13 36.133 0.400 . 1 . . . . . 35 GLU CG . 16649 1 451 . 1 1 35 35 GLU N N 15 121.590 0.400 . 1 . . . . . 35 GLU N . 16649 1 452 . 1 1 36 36 ILE H H 1 7.575 0.020 . 1 . . . . . 36 ILE H . 16649 1 453 . 1 1 36 36 ILE HA H 1 4.330 0.020 . 1 . . . . . 36 ILE HA . 16649 1 454 . 1 1 36 36 ILE HB H 1 1.994 0.020 . 1 . . . . . 36 ILE HB . 16649 1 455 . 1 1 36 36 ILE HD11 H 1 0.712 0.020 . 1 . . . . . 36 ILE HD1 . 16649 1 456 . 1 1 36 36 ILE HD12 H 1 0.712 0.020 . 1 . . . . . 36 ILE HD1 . 16649 1 457 . 1 1 36 36 ILE HD13 H 1 0.712 0.020 . 1 . . . . . 36 ILE HD1 . 16649 1 458 . 1 1 36 36 ILE HG12 H 1 1.076 0.020 . 2 . . . . . 36 ILE HG12 . 16649 1 459 . 1 1 36 36 ILE HG13 H 1 1.017 0.020 . 2 . . . . . 36 ILE HG13 . 16649 1 460 . 1 1 36 36 ILE HG21 H 1 0.433 0.020 . 1 . . . . . 36 ILE HG2 . 16649 1 461 . 1 1 36 36 ILE HG22 H 1 0.433 0.020 . 1 . . . . . 36 ILE HG2 . 16649 1 462 . 1 1 36 36 ILE HG23 H 1 0.433 0.020 . 1 . . . . . 36 ILE HG2 . 16649 1 463 . 1 1 36 36 ILE C C 13 176.496 0.400 . 1 . . . . . 36 ILE C . 16649 1 464 . 1 1 36 36 ILE CA C 13 61.316 0.400 . 1 . . . . . 36 ILE CA . 16649 1 465 . 1 1 36 36 ILE CB C 13 37.760 0.400 . 1 . . . . . 36 ILE CB . 16649 1 466 . 1 1 36 36 ILE CD1 C 13 14.938 0.400 . 1 . . . . . 36 ILE CD1 . 16649 1 467 . 1 1 36 36 ILE CG1 C 13 25.922 0.400 . 1 . . . . . 36 ILE CG1 . 16649 1 468 . 1 1 36 36 ILE CG2 C 13 16.925 0.400 . 1 . . . . . 36 ILE CG2 . 16649 1 469 . 1 1 36 36 ILE N N 15 109.787 0.400 . 1 . . . . . 36 ILE N . 16649 1 470 . 1 1 37 37 GLY H H 1 7.622 0.020 . 1 . . . . . 37 GLY H . 16649 1 471 . 1 1 37 37 GLY HA2 H 1 4.005 0.020 . 2 . . . . . 37 GLY HA2 . 16649 1 472 . 1 1 37 37 GLY HA3 H 1 3.755 0.020 . 2 . . . . . 37 GLY HA3 . 16649 1 473 . 1 1 37 37 GLY C C 13 175.207 0.400 . 1 . . . . . 37 GLY C . 16649 1 474 . 1 1 37 37 GLY CA C 13 46.300 0.400 . 1 . . . . . 37 GLY CA . 16649 1 475 . 1 1 37 37 GLY N N 15 111.259 0.400 . 1 . . . . . 37 GLY N . 16649 1 476 . 1 1 38 38 GLU H H 1 8.239 0.020 . 1 . . . . . 38 GLU H . 16649 1 477 . 1 1 38 38 GLU HA H 1 4.767 0.020 . 1 . . . . . 38 GLU HA . 16649 1 478 . 1 1 38 38 GLU HB2 H 1 1.480 0.020 . 1 . . . . . 38 GLU HB2 . 16649 1 479 . 1 1 38 38 GLU HB3 H 1 1.993 0.020 . 1 . . . . . 38 GLU HB3 . 16649 1 480 . 1 1 38 38 GLU HG2 H 1 2.214 0.020 . 2 . . . . . 38 GLU HG2 . 16649 1 481 . 1 1 38 38 GLU HG3 H 1 2.102 0.020 . 2 . . . . . 38 GLU HG3 . 16649 1 482 . 1 1 38 38 GLU CA C 13 52.674 0.400 . 1 . . . . . 38 GLU CA . 16649 1 483 . 1 1 38 38 GLU CB C 13 29.857 0.400 . 1 . . . . . 38 GLU CB . 16649 1 484 . 1 1 38 38 GLU CG C 13 34.983 0.400 . 1 . . . . . 38 GLU CG . 16649 1 485 . 1 1 38 38 GLU N N 15 121.562 0.400 . 1 . . . . . 38 GLU N . 16649 1 486 . 1 1 39 39 PRO HA H 1 4.410 0.020 . 1 . . . . . 39 PRO HA . 16649 1 487 . 1 1 39 39 PRO HB2 H 1 2.206 0.020 . 2 . . . . . 39 PRO HB2 . 16649 1 488 . 1 1 39 39 PRO HB3 H 1 2.041 0.020 . 2 . . . . . 39 PRO HB3 . 16649 1 489 . 1 1 39 39 PRO HD2 H 1 4.107 0.020 . 1 . . . . . 39 PRO HD2 . 16649 1 490 . 1 1 39 39 PRO HD3 H 1 3.802 0.020 . 1 . . . . . 39 PRO HD3 . 16649 1 491 . 1 1 39 39 PRO HG2 H 1 2.116 0.020 . 2 . . . . . 39 PRO HG2 . 16649 1 492 . 1 1 39 39 PRO HG3 H 1 1.990 0.020 . 2 . . . . . 39 PRO HG3 . 16649 1 493 . 1 1 39 39 PRO C C 13 175.441 0.400 . 1 . . . . . 39 PRO C . 16649 1 494 . 1 1 39 39 PRO CA C 13 63.278 0.400 . 1 . . . . . 39 PRO CA . 16649 1 495 . 1 1 39 39 PRO CB C 13 32.248 0.400 . 1 . . . . . 39 PRO CB . 16649 1 496 . 1 1 39 39 PRO CD C 13 50.695 0.400 . 1 . . . . . 39 PRO CD . 16649 1 497 . 1 1 39 39 PRO CG C 13 26.676 0.400 . 1 . . . . . 39 PRO CG . 16649 1 498 . 1 1 40 40 VAL H H 1 7.319 0.020 . 1 . . . . . 40 VAL H . 16649 1 499 . 1 1 40 40 VAL HA H 1 4.413 0.020 . 1 . . . . . 40 VAL HA . 16649 1 500 . 1 1 40 40 VAL HB H 1 1.766 0.020 . 1 . . . . . 40 VAL HB . 16649 1 501 . 1 1 40 40 VAL HG11 H 1 0.704 0.020 . 1 . . . . . 40 VAL HG1 . 16649 1 502 . 1 1 40 40 VAL HG12 H 1 0.704 0.020 . 1 . . . . . 40 VAL HG1 . 16649 1 503 . 1 1 40 40 VAL HG13 H 1 0.704 0.020 . 1 . . . . . 40 VAL HG1 . 16649 1 504 . 1 1 40 40 VAL HG21 H 1 0.819 0.020 . 1 . . . . . 40 VAL HG2 . 16649 1 505 . 1 1 40 40 VAL HG22 H 1 0.819 0.020 . 1 . . . . . 40 VAL HG2 . 16649 1 506 . 1 1 40 40 VAL HG23 H 1 0.819 0.020 . 1 . . . . . 40 VAL HG2 . 16649 1 507 . 1 1 40 40 VAL C C 13 175.676 0.400 . 1 . . . . . 40 VAL C . 16649 1 508 . 1 1 40 40 VAL CA C 13 59.900 0.400 . 1 . . . . . 40 VAL CA . 16649 1 509 . 1 1 40 40 VAL CB C 13 36.442 0.400 . 1 . . . . . 40 VAL CB . 16649 1 510 . 1 1 40 40 VAL CG1 C 13 20.942 0.400 . 1 . . . . . 40 VAL CG1 . 16649 1 511 . 1 1 40 40 VAL CG2 C 13 21.102 0.400 . 1 . . . . . 40 VAL CG2 . 16649 1 512 . 1 1 40 40 VAL N N 15 116.729 0.400 . 1 . . . . . 40 VAL N . 16649 1 513 . 1 1 41 41 VAL H H 1 8.948 0.020 . 1 . . . . . 41 VAL H . 16649 1 514 . 1 1 41 41 VAL HA H 1 3.343 0.020 . 1 . . . . . 41 VAL HA . 16649 1 515 . 1 1 41 41 VAL HB H 1 0.507 0.020 . 1 . . . . . 41 VAL HB . 16649 1 516 . 1 1 41 41 VAL HG11 H 1 -0.572 0.020 . 1 . . . . . 41 VAL HG1 . 16649 1 517 . 1 1 41 41 VAL HG12 H 1 -0.572 0.020 . 1 . . . . . 41 VAL HG1 . 16649 1 518 . 1 1 41 41 VAL HG13 H 1 -0.572 0.020 . 1 . . . . . 41 VAL HG1 . 16649 1 519 . 1 1 41 41 VAL HG21 H 1 0.335 0.020 . 1 . . . . . 41 VAL HG2 . 16649 1 520 . 1 1 41 41 VAL HG22 H 1 0.335 0.020 . 1 . . . . . 41 VAL HG2 . 16649 1 521 . 1 1 41 41 VAL HG23 H 1 0.335 0.020 . 1 . . . . . 41 VAL HG2 . 16649 1 522 . 1 1 41 41 VAL C C 13 173.449 0.400 . 1 . . . . . 41 VAL C . 16649 1 523 . 1 1 41 41 VAL CA C 13 64.048 0.400 . 1 . . . . . 41 VAL CA . 16649 1 524 . 1 1 41 41 VAL CB C 13 29.335 0.400 . 1 . . . . . 41 VAL CB . 16649 1 525 . 1 1 41 41 VAL CG1 C 13 20.106 0.400 . 1 . . . . . 41 VAL CG1 . 16649 1 526 . 1 1 41 41 VAL CG2 C 13 20.677 0.400 . 1 . . . . . 41 VAL CG2 . 16649 1 527 . 1 1 41 41 VAL N N 15 126.447 0.400 . 1 . . . . . 41 VAL N . 16649 1 528 . 1 1 42 42 THR H H 1 6.286 0.020 . 1 . . . . . 42 THR H . 16649 1 529 . 1 1 42 42 THR HA H 1 4.790 0.020 . 1 . . . . . 42 THR HA . 16649 1 530 . 1 1 42 42 THR HB H 1 4.843 0.020 . 1 . . . . . 42 THR HB . 16649 1 531 . 1 1 42 42 THR HG1 H 1 6.056 0.020 . 1 . . . . . 42 THR HG1 . 16649 1 532 . 1 1 42 42 THR HG21 H 1 1.235 0.020 . 1 . . . . . 42 THR HG2 . 16649 1 533 . 1 1 42 42 THR HG22 H 1 1.235 0.020 . 1 . . . . . 42 THR HG2 . 16649 1 534 . 1 1 42 42 THR HG23 H 1 1.235 0.020 . 1 . . . . . 42 THR HG2 . 16649 1 535 . 1 1 42 42 THR C C 13 175.207 0.400 . 1 . . . . . 42 THR C . 16649 1 536 . 1 1 42 42 THR CA C 13 58.800 0.400 . 1 . . . . . 42 THR CA . 16649 1 537 . 1 1 42 42 THR CB C 13 71.183 0.400 . 1 . . . . . 42 THR CB . 16649 1 538 . 1 1 42 42 THR CG2 C 13 21.685 0.400 . 1 . . . . . 42 THR CG2 . 16649 1 539 . 1 1 42 42 THR N N 15 116.214 0.400 . 1 . . . . . 42 THR N . 16649 1 540 . 1 1 43 43 ALA H H 1 8.989 0.020 . 1 . . . . . 43 ALA H . 16649 1 541 . 1 1 43 43 ALA HA H 1 3.931 0.020 . 1 . . . . . 43 ALA HA . 16649 1 542 . 1 1 43 43 ALA HB1 H 1 1.371 0.020 . 1 . . . . . 43 ALA HB . 16649 1 543 . 1 1 43 43 ALA HB2 H 1 1.371 0.020 . 1 . . . . . 43 ALA HB . 16649 1 544 . 1 1 43 43 ALA HB3 H 1 1.371 0.020 . 1 . . . . . 43 ALA HB . 16649 1 545 . 1 1 43 43 ALA C C 13 178.958 0.400 . 1 . . . . . 43 ALA C . 16649 1 546 . 1 1 43 43 ALA CA C 13 55.857 0.400 . 1 . . . . . 43 ALA CA . 16649 1 547 . 1 1 43 43 ALA CB C 13 18.500 0.400 . 1 . . . . . 43 ALA CB . 16649 1 548 . 1 1 43 43 ALA N N 15 123.069 0.400 . 1 . . . . . 43 ALA N . 16649 1 549 . 1 1 44 44 ASP H H 1 8.202 0.020 . 1 . . . . . 44 ASP H . 16649 1 550 . 1 1 44 44 ASP HA H 1 4.443 0.020 . 1 . . . . . 44 ASP HA . 16649 1 551 . 1 1 44 44 ASP HB2 H 1 2.608 0.020 . 2 . . . . . 44 ASP HB2 . 16649 1 552 . 1 1 44 44 ASP HB3 H 1 2.526 0.020 . 2 . . . . . 44 ASP HB3 . 16649 1 553 . 1 1 44 44 ASP C C 13 178.254 0.400 . 1 . . . . . 44 ASP C . 16649 1 554 . 1 1 44 44 ASP CA C 13 57.457 0.400 . 1 . . . . . 44 ASP CA . 16649 1 555 . 1 1 44 44 ASP CB C 13 41.183 0.400 . 1 . . . . . 44 ASP CB . 16649 1 556 . 1 1 44 44 ASP N N 15 116.002 0.400 . 1 . . . . . 44 ASP N . 16649 1 557 . 1 1 45 45 VAL H H 1 7.465 0.020 . 1 . . . . . 45 VAL H . 16649 1 558 . 1 1 45 45 VAL HA H 1 3.541 0.020 . 1 . . . . . 45 VAL HA . 16649 1 559 . 1 1 45 45 VAL HB H 1 2.103 0.020 . 1 . . . . . 45 VAL HB . 16649 1 560 . 1 1 45 45 VAL HG11 H 1 0.938 0.020 . 1 . . . . . 45 VAL HG1 . 16649 1 561 . 1 1 45 45 VAL HG12 H 1 0.938 0.020 . 1 . . . . . 45 VAL HG1 . 16649 1 562 . 1 1 45 45 VAL HG13 H 1 0.938 0.020 . 1 . . . . . 45 VAL HG1 . 16649 1 563 . 1 1 45 45 VAL HG21 H 1 1.172 0.020 . 1 . . . . . 45 VAL HG2 . 16649 1 564 . 1 1 45 45 VAL HG22 H 1 1.172 0.020 . 1 . . . . . 45 VAL HG2 . 16649 1 565 . 1 1 45 45 VAL HG23 H 1 1.172 0.020 . 1 . . . . . 45 VAL HG2 . 16649 1 566 . 1 1 45 45 VAL C C 13 176.848 0.400 . 1 . . . . . 45 VAL C . 16649 1 567 . 1 1 45 45 VAL CA C 13 66.730 0.400 . 1 . . . . . 45 VAL CA . 16649 1 568 . 1 1 45 45 VAL CB C 13 31.404 0.400 . 1 . . . . . 45 VAL CB . 16649 1 569 . 1 1 45 45 VAL CG1 C 13 21.764 0.400 . 1 . . . . . 45 VAL CG1 . 16649 1 570 . 1 1 45 45 VAL CG2 C 13 22.973 0.400 . 1 . . . . . 45 VAL CG2 . 16649 1 571 . 1 1 45 45 VAL N N 15 120.042 0.400 . 1 . . . . . 45 VAL N . 16649 1 572 . 1 1 46 46 PHE H H 1 8.435 0.020 . 1 . . . . . 46 PHE H . 16649 1 573 . 1 1 46 46 PHE HA H 1 3.869 0.020 . 1 . . . . . 46 PHE HA . 16649 1 574 . 1 1 46 46 PHE HB2 H 1 2.654 0.020 . 1 . . . . . 46 PHE HB2 . 16649 1 575 . 1 1 46 46 PHE HB3 H 1 3.332 0.020 . 1 . . . . . 46 PHE HB3 . 16649 1 576 . 1 1 46 46 PHE HD1 H 1 7.290 0.020 . 1 . . . . . 46 PHE HD1 . 16649 1 577 . 1 1 46 46 PHE HD2 H 1 7.290 0.020 . 1 . . . . . 46 PHE HD2 . 16649 1 578 . 1 1 46 46 PHE HE1 H 1 7.310 0.020 . 1 . . . . . 46 PHE HE1 . 16649 1 579 . 1 1 46 46 PHE HE2 H 1 7.310 0.020 . 1 . . . . . 46 PHE HE2 . 16649 1 580 . 1 1 46 46 PHE HZ H 1 7.075 0.020 . 1 . . . . . 46 PHE HZ . 16649 1 581 . 1 1 46 46 PHE C C 13 177.317 0.400 . 1 . . . . . 46 PHE C . 16649 1 582 . 1 1 46 46 PHE CA C 13 61.452 0.400 . 1 . . . . . 46 PHE CA . 16649 1 583 . 1 1 46 46 PHE CB C 13 38.783 0.400 . 1 . . . . . 46 PHE CB . 16649 1 584 . 1 1 46 46 PHE CD1 C 13 132.272 0.400 . 1 . . . . . 46 PHE CD1 . 16649 1 585 . 1 1 46 46 PHE CD2 C 13 132.272 0.400 . 1 . . . . . 46 PHE CD2 . 16649 1 586 . 1 1 46 46 PHE CE1 C 13 130.652 0.400 . 1 . . . . . 46 PHE CE1 . 16649 1 587 . 1 1 46 46 PHE CE2 C 13 130.652 0.400 . 1 . . . . . 46 PHE CE2 . 16649 1 588 . 1 1 46 46 PHE CZ C 13 128.851 0.400 . 1 . . . . . 46 PHE CZ . 16649 1 589 . 1 1 46 46 PHE N N 15 119.773 0.400 . 1 . . . . . 46 PHE N . 16649 1 590 . 1 1 47 47 ARG H H 1 8.345 0.020 . 1 . . . . . 47 ARG H . 16649 1 591 . 1 1 47 47 ARG HA H 1 3.805 0.020 . 1 . . . . . 47 ARG HA . 16649 1 592 . 1 1 47 47 ARG HB2 H 1 1.959 0.020 . 2 . . . . . 47 ARG HB2 . 16649 1 593 . 1 1 47 47 ARG HB3 H 1 1.959 0.020 . 2 . . . . . 47 ARG HB3 . 16649 1 594 . 1 1 47 47 ARG HD2 H 1 3.252 0.020 . 2 . . . . . 47 ARG HD2 . 16649 1 595 . 1 1 47 47 ARG HD3 H 1 3.252 0.020 . 2 . . . . . 47 ARG HD3 . 16649 1 596 . 1 1 47 47 ARG HE H 1 7.359 0.020 . 1 . . . . . 47 ARG HE . 16649 1 597 . 1 1 47 47 ARG HG2 H 1 1.918 0.020 . 2 . . . . . 47 ARG HG2 . 16649 1 598 . 1 1 47 47 ARG HG3 H 1 1.607 0.020 . 2 . . . . . 47 ARG HG3 . 16649 1 599 . 1 1 47 47 ARG C C 13 179.075 0.400 . 1 . . . . . 47 ARG C . 16649 1 600 . 1 1 47 47 ARG CA C 13 60.100 0.400 . 1 . . . . . 47 ARG CA . 16649 1 601 . 1 1 47 47 ARG CB C 13 30.100 0.400 . 1 . . . . . 47 ARG CB . 16649 1 602 . 1 1 47 47 ARG CD C 13 43.277 0.400 . 1 . . . . . 47 ARG CD . 16649 1 603 . 1 1 47 47 ARG CG C 13 28.478 0.400 . 1 . . . . . 47 ARG CG . 16649 1 604 . 1 1 47 47 ARG N N 15 118.082 0.400 . 1 . . . . . 47 ARG N . 16649 1 605 . 1 1 47 47 ARG NE N 15 84.020 0.400 . 1 . . . . . 47 ARG NE . 16649 1 606 . 1 1 48 48 LYS H H 1 8.168 0.020 . 1 . . . . . 48 LYS H . 16649 1 607 . 1 1 48 48 LYS HA H 1 3.946 0.020 . 1 . . . . . 48 LYS HA . 16649 1 608 . 1 1 48 48 LYS HB2 H 1 2.065 0.020 . 2 . . . . . 48 LYS HB2 . 16649 1 609 . 1 1 48 48 LYS HB3 H 1 1.920 0.020 . 2 . . . . . 48 LYS HB3 . 16649 1 610 . 1 1 48 48 LYS HD2 H 1 1.612 0.020 . 2 . . . . . 48 LYS HD2 . 16649 1 611 . 1 1 48 48 LYS HD3 H 1 1.673 0.020 . 2 . . . . . 48 LYS HD3 . 16649 1 612 . 1 1 48 48 LYS HE2 H 1 2.964 0.020 . 2 . . . . . 48 LYS HE2 . 16649 1 613 . 1 1 48 48 LYS HE3 H 1 2.964 0.020 . 2 . . . . . 48 LYS HE3 . 16649 1 614 . 1 1 48 48 LYS HG2 H 1 1.685 0.020 . 2 . . . . . 48 LYS HG2 . 16649 1 615 . 1 1 48 48 LYS HG3 H 1 1.494 0.020 . 2 . . . . . 48 LYS HG3 . 16649 1 616 . 1 1 48 48 LYS C C 13 179.192 0.400 . 1 . . . . . 48 LYS C . 16649 1 617 . 1 1 48 48 LYS CA C 13 59.419 0.400 . 1 . . . . . 48 LYS CA . 16649 1 618 . 1 1 48 48 LYS CB C 13 32.272 0.400 . 1 . . . . . 48 LYS CB . 16649 1 619 . 1 1 48 48 LYS CD C 13 29.163 0.400 . 1 . . . . . 48 LYS CD . 16649 1 620 . 1 1 48 48 LYS CE C 13 41.936 0.400 . 1 . . . . . 48 LYS CE . 16649 1 621 . 1 1 48 48 LYS CG C 13 25.766 0.400 . 1 . . . . . 48 LYS CG . 16649 1 622 . 1 1 48 48 LYS N N 15 120.101 0.400 . 1 . . . . . 48 LYS N . 16649 1 623 . 1 1 49 49 ALA H H 1 8.583 0.020 . 1 . . . . . 49 ALA H . 16649 1 624 . 1 1 49 49 ALA HA H 1 2.838 0.020 . 1 . . . . . 49 ALA HA . 16649 1 625 . 1 1 49 49 ALA HB1 H 1 1.315 0.020 . 1 . . . . . 49 ALA HB . 16649 1 626 . 1 1 49 49 ALA HB2 H 1 1.315 0.020 . 1 . . . . . 49 ALA HB . 16649 1 627 . 1 1 49 49 ALA HB3 H 1 1.315 0.020 . 1 . . . . . 49 ALA HB . 16649 1 628 . 1 1 49 49 ALA C C 13 178.958 0.400 . 1 . . . . . 49 ALA C . 16649 1 629 . 1 1 49 49 ALA CA C 13 54.500 0.400 . 1 . . . . . 49 ALA CA . 16649 1 630 . 1 1 49 49 ALA CB C 13 18.983 0.400 . 1 . . . . . 49 ALA CB . 16649 1 631 . 1 1 49 49 ALA N N 15 123.229 0.400 . 1 . . . . . 49 ALA N . 16649 1 632 . 1 1 50 50 LYS H H 1 7.726 0.020 . 1 . . . . . 50 LYS H . 16649 1 633 . 1 1 50 50 LYS HA H 1 3.713 0.020 . 1 . . . . . 50 LYS HA . 16649 1 634 . 1 1 50 50 LYS HB2 H 1 1.727 0.020 . 2 . . . . . 50 LYS HB2 . 16649 1 635 . 1 1 50 50 LYS HB3 H 1 1.563 0.020 . 2 . . . . . 50 LYS HB3 . 16649 1 636 . 1 1 50 50 LYS HD2 H 1 1.542 0.020 . 2 . . . . . 50 LYS HD2 . 16649 1 637 . 1 1 50 50 LYS HD3 H 1 1.542 0.020 . 2 . . . . . 50 LYS HD3 . 16649 1 638 . 1 1 50 50 LYS HE2 H 1 2.818 0.020 . 2 . . . . . 50 LYS HE2 . 16649 1 639 . 1 1 50 50 LYS HE3 H 1 2.818 0.020 . 2 . . . . . 50 LYS HE3 . 16649 1 640 . 1 1 50 50 LYS HG2 H 1 1.292 0.020 . 2 . . . . . 50 LYS HG2 . 16649 1 641 . 1 1 50 50 LYS HG3 H 1 1.197 0.020 . 2 . . . . . 50 LYS HG3 . 16649 1 642 . 1 1 50 50 LYS C C 13 179.192 0.400 . 1 . . . . . 50 LYS C . 16649 1 643 . 1 1 50 50 LYS CA C 13 59.097 0.400 . 1 . . . . . 50 LYS CA . 16649 1 644 . 1 1 50 50 LYS CB C 13 32.061 0.400 . 1 . . . . . 50 LYS CB . 16649 1 645 . 1 1 50 50 LYS CD C 13 29.488 0.400 . 1 . . . . . 50 LYS CD . 16649 1 646 . 1 1 50 50 LYS CE C 13 41.808 0.400 . 1 . . . . . 50 LYS CE . 16649 1 647 . 1 1 50 50 LYS CG C 13 24.349 0.400 . 1 . . . . . 50 LYS CG . 16649 1 648 . 1 1 50 50 LYS N N 15 118.089 0.400 . 1 . . . . . 50 LYS N . 16649 1 649 . 1 1 51 51 GLU H H 1 7.615 0.020 . 1 . . . . . 51 GLU H . 16649 1 650 . 1 1 51 51 GLU HA H 1 4.009 0.020 . 1 . . . . . 51 GLU HA . 16649 1 651 . 1 1 51 51 GLU HB2 H 1 1.997 0.020 . 2 . . . . . 51 GLU HB2 . 16649 1 652 . 1 1 51 51 GLU HB3 H 1 1.997 0.020 . 2 . . . . . 51 GLU HB3 . 16649 1 653 . 1 1 51 51 GLU HG2 H 1 2.337 0.020 . 2 . . . . . 51 GLU HG2 . 16649 1 654 . 1 1 51 51 GLU HG3 H 1 2.164 0.020 . 2 . . . . . 51 GLU HG3 . 16649 1 655 . 1 1 51 51 GLU C C 13 177.903 0.400 . 1 . . . . . 51 GLU C . 16649 1 656 . 1 1 51 51 GLU CA C 13 58.312 0.400 . 1 . . . . . 51 GLU CA . 16649 1 657 . 1 1 51 51 GLU CB C 13 29.500 0.400 . 1 . . . . . 51 GLU CB . 16649 1 658 . 1 1 51 51 GLU CG C 13 35.996 0.400 . 1 . . . . . 51 GLU CG . 16649 1 659 . 1 1 51 51 GLU N N 15 117.891 0.400 . 1 . . . . . 51 GLU N . 16649 1 660 . 1 1 52 52 HIS H H 1 7.952 0.020 . 1 . . . . . 52 HIS H . 16649 1 661 . 1 1 52 52 HIS HA H 1 4.373 0.020 . 1 . . . . . 52 HIS HA . 16649 1 662 . 1 1 52 52 HIS HB2 H 1 2.970 0.020 . 2 . . . . . 52 HIS HB2 . 16649 1 663 . 1 1 52 52 HIS HB3 H 1 2.905 0.020 . 2 . . . . . 52 HIS HB3 . 16649 1 664 . 1 1 52 52 HIS HD2 H 1 6.949 0.020 . 1 . . . . . 52 HIS HD2 . 16649 1 665 . 1 1 52 52 HIS HE1 H 1 8.246 0.020 . 1 . . . . . 52 HIS HE1 . 16649 1 666 . 1 1 52 52 HIS C C 13 176.425 0.400 . 1 . . . . . 52 HIS C . 16649 1 667 . 1 1 52 52 HIS CA C 13 58.037 0.400 . 1 . . . . . 52 HIS CA . 16649 1 668 . 1 1 52 52 HIS CB C 13 29.746 0.400 . 1 . . . . . 52 HIS CB . 16649 1 669 . 1 1 52 52 HIS CD2 C 13 120.106 0.400 . 1 . . . . . 52 HIS CD2 . 16649 1 670 . 1 1 52 52 HIS CE1 C 13 137.789 0.400 . 1 . . . . . 52 HIS CE1 . 16649 1 671 . 1 1 52 52 HIS N N 15 118.521 0.400 . 1 . . . . . 52 HIS N . 16649 1 672 . 1 1 52 52 HIS ND1 N 15 200.878 0.400 . 1 . . . . . 52 HIS ND1 . 16649 1 673 . 1 1 52 52 HIS NE2 N 15 178.265 0.400 . 1 . . . . . 52 HIS NE2 . 16649 1 674 . 1 1 53 53 LEU H H 1 8.202 0.020 . 1 . . . . . 53 LEU H . 16649 1 675 . 1 1 53 53 LEU HA H 1 4.085 0.020 . 1 . . . . . 53 LEU HA . 16649 1 676 . 1 1 53 53 LEU HB2 H 1 1.673 0.020 . 2 . . . . . 53 LEU HB2 . 16649 1 677 . 1 1 53 53 LEU HB3 H 1 1.529 0.020 . 2 . . . . . 53 LEU HB3 . 16649 1 678 . 1 1 53 53 LEU HD11 H 1 0.813 0.020 . 1 . . . . . 53 LEU HD1 . 16649 1 679 . 1 1 53 53 LEU HD12 H 1 0.813 0.020 . 1 . . . . . 53 LEU HD1 . 16649 1 680 . 1 1 53 53 LEU HD13 H 1 0.813 0.020 . 1 . . . . . 53 LEU HD1 . 16649 1 681 . 1 1 53 53 LEU HD21 H 1 0.855 0.020 . 1 . . . . . 53 LEU HD2 . 16649 1 682 . 1 1 53 53 LEU HD22 H 1 0.855 0.020 . 1 . . . . . 53 LEU HD2 . 16649 1 683 . 1 1 53 53 LEU HD23 H 1 0.855 0.020 . 1 . . . . . 53 LEU HD2 . 16649 1 684 . 1 1 53 53 LEU HG H 1 1.659 0.020 . 1 . . . . . 53 LEU HG . 16649 1 685 . 1 1 53 53 LEU C C 13 178.440 0.400 . 1 . . . . . 53 LEU C . 16649 1 686 . 1 1 53 53 LEU CA C 13 55.976 0.400 . 1 . . . . . 53 LEU CA . 16649 1 687 . 1 1 53 53 LEU CB C 13 41.641 0.400 . 1 . . . . . 53 LEU CB . 16649 1 688 . 1 1 53 53 LEU CD1 C 13 25.070 0.400 . 1 . . . . . 53 LEU CD1 . 16649 1 689 . 1 1 53 53 LEU CD2 C 13 22.987 0.400 . 1 . . . . . 53 LEU CD2 . 16649 1 690 . 1 1 53 53 LEU CG C 13 26.765 0.400 . 1 . . . . . 53 LEU CG . 16649 1 691 . 1 1 53 53 LEU N N 15 119.567 0.400 . 1 . . . . . 53 LEU N . 16649 1 692 . 1 1 54 54 GLY H H 1 7.918 0.020 . 1 . . . . . 54 GLY H . 16649 1 693 . 1 1 54 54 GLY HA2 H 1 3.926 0.020 . 2 . . . . . 54 GLY HA2 . 16649 1 694 . 1 1 54 54 GLY HA3 H 1 3.926 0.020 . 2 . . . . . 54 GLY HA3 . 16649 1 695 . 1 1 54 54 GLY C C 13 174.972 0.400 . 1 . . . . . 54 GLY C . 16649 1 696 . 1 1 54 54 GLY CA C 13 45.648 0.400 . 1 . . . . . 54 GLY CA . 16649 1 697 . 1 1 54 54 GLY N N 15 107.321 0.400 . 1 . . . . . 54 GLY N . 16649 1 698 . 1 1 55 55 GLY H H 1 8.056 0.020 . 1 . . . . . 55 GLY H . 16649 1 699 . 1 1 55 55 GLY HA2 H 1 3.946 0.020 . 2 . . . . . 55 GLY HA2 . 16649 1 700 . 1 1 55 55 GLY HA3 H 1 3.946 0.020 . 2 . . . . . 55 GLY HA3 . 16649 1 701 . 1 1 55 55 GLY C C 13 174.621 0.400 . 1 . . . . . 55 GLY C . 16649 1 702 . 1 1 55 55 GLY CA C 13 45.478 0.400 . 1 . . . . . 55 GLY CA . 16649 1 703 . 1 1 55 55 GLY N N 15 108.267 0.400 . 1 . . . . . 55 GLY N . 16649 1 704 . 1 1 56 56 LEU H H 1 7.944 0.020 . 1 . . . . . 56 LEU H . 16649 1 705 . 1 1 56 56 LEU HA H 1 4.223 0.020 . 1 . . . . . 56 LEU HA . 16649 1 706 . 1 1 56 56 LEU HB2 H 1 1.524 0.020 . 2 . . . . . 56 LEU HB2 . 16649 1 707 . 1 1 56 56 LEU HB3 H 1 1.629 0.020 . 2 . . . . . 56 LEU HB3 . 16649 1 708 . 1 1 56 56 LEU HD11 H 1 0.863 0.020 . 1 . . . . . 56 LEU HD1 . 16649 1 709 . 1 1 56 56 LEU HD12 H 1 0.863 0.020 . 1 . . . . . 56 LEU HD1 . 16649 1 710 . 1 1 56 56 LEU HD13 H 1 0.863 0.020 . 1 . . . . . 56 LEU HD1 . 16649 1 711 . 1 1 56 56 LEU HD21 H 1 0.801 0.020 . 1 . . . . . 56 LEU HD2 . 16649 1 712 . 1 1 56 56 LEU HD22 H 1 0.801 0.020 . 1 . . . . . 56 LEU HD2 . 16649 1 713 . 1 1 56 56 LEU HD23 H 1 0.801 0.020 . 1 . . . . . 56 LEU HD2 . 16649 1 714 . 1 1 56 56 LEU HG H 1 1.577 0.020 . 1 . . . . . 56 LEU HG . 16649 1 715 . 1 1 56 56 LEU C C 13 177.551 0.400 . 1 . . . . . 56 LEU C . 16649 1 716 . 1 1 56 56 LEU CA C 13 55.452 0.400 . 1 . . . . . 56 LEU CA . 16649 1 717 . 1 1 56 56 LEU CB C 13 42.159 0.400 . 1 . . . . . 56 LEU CB . 16649 1 718 . 1 1 56 56 LEU CD1 C 13 25.108 0.400 . 1 . . . . . 56 LEU CD1 . 16649 1 719 . 1 1 56 56 LEU CD2 C 13 23.272 0.400 . 1 . . . . . 56 LEU CD2 . 16649 1 720 . 1 1 56 56 LEU CG C 13 26.524 0.400 . 1 . . . . . 56 LEU CG . 16649 1 721 . 1 1 56 56 LEU N N 15 120.653 0.400 . 1 . . . . . 56 LEU N . 16649 1 722 . 1 1 57 57 GLU H H 1 8.284 0.020 . 1 . . . . . 57 GLU H . 16649 1 723 . 1 1 57 57 GLU HA H 1 4.154 0.020 . 1 . . . . . 57 GLU HA . 16649 1 724 . 1 1 57 57 GLU HB2 H 1 1.883 0.020 . 2 . . . . . 57 GLU HB2 . 16649 1 725 . 1 1 57 57 GLU HB3 H 1 1.883 0.020 . 2 . . . . . 57 GLU HB3 . 16649 1 726 . 1 1 57 57 GLU HG2 H 1 2.116 0.020 . 2 . . . . . 57 GLU HG2 . 16649 1 727 . 1 1 57 57 GLU HG3 H 1 2.199 0.020 . 2 . . . . . 57 GLU HG3 . 16649 1 728 . 1 1 57 57 GLU C C 13 176.262 0.400 . 1 . . . . . 57 GLU C . 16649 1 729 . 1 1 57 57 GLU CA C 13 56.677 0.400 . 1 . . . . . 57 GLU CA . 16649 1 730 . 1 1 57 57 GLU CB C 13 29.846 0.400 . 1 . . . . . 57 GLU CB . 16649 1 731 . 1 1 57 57 GLU CG C 13 35.989 0.400 . 1 . . . . . 57 GLU CG . 16649 1 732 . 1 1 57 57 GLU N N 15 119.635 0.400 . 1 . . . . . 57 GLU N . 16649 1 stop_ save_