################################### # 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_gp78CUE_shifts_in_gp78CUE-Ub _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode gp78CUE_shifts_in_gp78CUE-Ub _Assigned_chem_shift_list.Entry_ID 18582 _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 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 18582 1 2 '2D 1H-13C HSQC' . . . 18582 1 3 '3D HNCO' . . . 18582 1 4 '3D CBCA(CO)NH' . . . 18582 1 5 '3D C(CO)NH' . . . 18582 1 6 '3D H(CCO)NH' . . . 18582 1 7 '3D HNCACB' . . . 18582 1 8 '2D 1H-13C HSQC aromatic' . . . 18582 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLN H H 1 8.84 0.05 . 1 . . . A 2 GLN H . 18582 1 2 . 1 1 2 2 GLN N N 15 122.88 0.20 . 1 . . . A 2 GLN N . 18582 1 3 . 1 1 3 3 ILE H H 1 8.22 0.05 . 1 . . . A 3 ILE H . 18582 1 4 . 1 1 3 3 ILE N N 15 115.1 0.20 . 1 . . . A 3 ILE N . 18582 1 5 . 1 1 4 4 PHE H H 1 8.57 0.05 . 1 . . . A 4 PHE H . 18582 1 6 . 1 1 4 4 PHE N N 15 119.34 0.20 . 1 . . . A 4 PHE N . 18582 1 7 . 1 1 5 5 VAL H H 1 9.20 0.05 . 1 . . . A 5 VAL H . 18582 1 8 . 1 1 5 5 VAL N N 15 121.29 0.20 . 1 . . . A 5 VAL N . 18582 1 9 . 1 1 6 6 LYS H H 1 8.90 0.05 . 1 . . . A 6 LYS H . 18582 1 10 . 1 1 6 6 LYS N N 15 128.09 0.20 . 1 . . . A 6 LYS N . 18582 1 11 . 1 1 7 7 THR H H 1 8.65 0.05 . 1 . . . A 7 THR H . 18582 1 12 . 1 1 7 7 THR N N 15 115.5 0.20 . 1 . . . A 7 THR N . 18582 1 13 . 1 1 8 8 LEU H H 1 9.04 0.05 . 1 . . . A 8 LEU H . 18582 1 14 . 1 1 8 8 LEU N N 15 121.32 0.20 . 1 . . . A 8 LEU N . 18582 1 15 . 1 1 10 10 GLY H H 1 7.75 0.05 . 1 . . . A 10 GLY H . 18582 1 16 . 1 1 10 10 GLY N N 15 109.31 0.20 . 1 . . . A 10 GLY N . 18582 1 17 . 1 1 11 11 LYS H H 1 7.19 0.05 . 1 . . . A 11 LYS H . 18582 1 18 . 1 1 11 11 LYS N N 15 121.97 0.20 . 1 . . . A 11 LYS N . 18582 1 19 . 1 1 12 12 THR H H 1 8.55 0.05 . 1 . . . A 12 THR H . 18582 1 20 . 1 1 12 12 THR N N 15 120.64 0.20 . 1 . . . A 12 THR N . 18582 1 21 . 1 1 13 13 ILE H H 1 9.48 0.05 . 1 . . . A 13 ILE H . 18582 1 22 . 1 1 13 13 ILE N N 15 127.75 0.20 . 1 . . . A 13 ILE N . 18582 1 23 . 1 1 14 14 THR H H 1 8.65 0.05 . 1 . . . A 14 THR H . 18582 1 24 . 1 1 14 14 THR N N 15 121.64 0.20 . 1 . . . A 14 THR N . 18582 1 25 . 1 1 15 15 LEU H H 1 8.70 0.05 . 1 . . . A 15 LEU H . 18582 1 26 . 1 1 15 15 LEU N N 15 124.58 0.20 . 1 . . . A 15 LEU N . 18582 1 27 . 1 1 16 16 GLU H H 1 8.04 0.05 . 1 . . . A 16 GLU H . 18582 1 28 . 1 1 16 16 GLU N N 15 122.54 0.20 . 1 . . . A 16 GLU N . 18582 1 29 . 1 1 17 17 VAL H H 1 8.85 0.05 . 1 . . . A 17 VAL H . 18582 1 30 . 1 1 17 17 VAL N N 15 117.59 0.20 . 1 . . . A 17 VAL N . 18582 1 31 . 1 1 20 20 SER H H 1 6.95 0.05 . 1 . . . A 20 SER H . 18582 1 32 . 1 1 20 20 SER N N 15 103.48 0.20 . 1 . . . A 20 SER N . 18582 1 33 . 1 1 21 21 ASP H H 1 8.19 0.05 . 1 . . . A 21 ASP H . 18582 1 34 . 1 1 21 21 ASP N N 15 123.78 0.20 . 1 . . . A 21 ASP N . 18582 1 35 . 1 1 22 22 THR H H 1 7.80 0.05 . 1 . . . A 22 THR H . 18582 1 36 . 1 1 22 22 THR N N 15 109.10 0.20 . 1 . . . A 22 THR N . 18582 1 37 . 1 1 23 23 ILE H H 1 8.69 0.05 . 1 . . . A 23 ILE H . 18582 1 38 . 1 1 23 23 ILE N N 15 120.08 0.20 . 1 . . . A 23 ILE N . 18582 1 39 . 1 1 24 24 GLU H H 1 8.48 0.05 . 1 . . . A 24 GLU H . 18582 1 40 . 1 1 24 24 GLU N N 15 121.73 0.20 . 1 . . . A 24 GLU N . 18582 1 41 . 1 1 25 25 ASN H H 1 7.85 0.05 . 1 . . . A 25 ASN H . 18582 1 42 . 1 1 25 25 ASN N N 15 121.46 0.20 . 1 . . . A 25 ASN N . 18582 1 43 . 1 1 26 26 VAL H H 1 8.03 0.05 . 1 . . . A 26 VAL H . 18582 1 44 . 1 1 26 26 VAL N N 15 122.37 0.20 . 1 . . . A 26 VAL N . 18582 1 45 . 1 1 27 27 LYS H H 1 8.47 0.05 . 1 . . . A 27 LYS H . 18582 1 46 . 1 1 27 27 LYS N N 15 119.06 0.20 . 1 . . . A 27 LYS N . 18582 1 47 . 1 1 28 28 ALA H H 1 7.97 0.05 . 1 . . . A 28 ALA H . 18582 1 48 . 1 1 28 28 ALA N N 15 123.09 0.20 . 1 . . . A 28 ALA N . 18582 1 49 . 1 1 29 29 LYS H H 1 7.78 0.05 . 1 . . . A 29 LYS H . 18582 1 50 . 1 1 29 29 LYS N N 15 120.34 0.20 . 1 . . . A 29 LYS N . 18582 1 51 . 1 1 30 30 ILE H H 1 8.21 0.05 . 1 . . . A 30 ILE H . 18582 1 52 . 1 1 30 30 ILE N N 15 121.44 0.20 . 1 . . . A 30 ILE N . 18582 1 53 . 1 1 31 31 GLN H H 1 8.51 0.05 . 1 . . . A 31 GLN H . 18582 1 54 . 1 1 31 31 GLN N N 15 123.78 0.20 . 1 . . . A 31 GLN N . 18582 1 55 . 1 1 32 32 ASP H H 1 7.94 0.05 . 1 . . . A 32 ASP H . 18582 1 56 . 1 1 32 32 ASP N N 15 119.81 0.20 . 1 . . . A 32 ASP N . 18582 1 57 . 1 1 33 33 LYS H H 1 7.35 0.05 . 1 . . . A 33 LYS H . 18582 1 58 . 1 1 33 33 LYS N N 15 115.55 0.20 . 1 . . . A 33 LYS N . 18582 1 59 . 1 1 34 34 GLU H H 1 8.64 0.05 . 1 . . . A 34 GLU H . 18582 1 60 . 1 1 34 34 GLU N N 15 114.43 0.20 . 1 . . . A 34 GLU N . 18582 1 61 . 1 1 35 35 GLY H H 1 8.42 0.05 . 1 . . . A 35 GLY H . 18582 1 62 . 1 1 35 35 GLY N N 15 108.96 0.20 . 1 . . . A 35 GLY N . 18582 1 63 . 1 1 36 36 ILE H H 1 6.07 0.05 . 1 . . . A 36 ILE H . 18582 1 64 . 1 1 36 36 ILE N N 15 120.04 0.20 . 1 . . . A 36 ILE N . 18582 1 65 . 1 1 39 39 ASP H H 1 8.44 0.05 . 1 . . . A 39 ASP H . 18582 1 66 . 1 1 39 39 ASP N N 15 113.67 0.20 . 1 . . . A 39 ASP N . 18582 1 67 . 1 1 40 40 GLN H H 1 7.74 0.05 . 1 . . . A 40 GLN H . 18582 1 68 . 1 1 40 40 GLN N N 15 116.93 0.20 . 1 . . . A 40 GLN N . 18582 1 69 . 1 1 41 41 GLN H H 1 7.40 0.05 . 1 . . . A 41 GLN H . 18582 1 70 . 1 1 41 41 GLN N N 15 118.18 0.20 . 1 . . . A 41 GLN N . 18582 1 71 . 1 1 42 42 ARG H H 1 8.41 0.05 . 1 . . . A 42 ARG H . 18582 1 72 . 1 1 42 42 ARG N N 15 123.23 0.20 . 1 . . . A 42 ARG N . 18582 1 73 . 1 1 43 43 LEU H H 1 8.77 0.05 . 1 . . . A 43 LEU H . 18582 1 74 . 1 1 43 43 LEU N N 15 124.61 0.20 . 1 . . . A 43 LEU N . 18582 1 75 . 1 1 44 44 ILE H H 1 9.06 0.05 . 1 . . . A 44 ILE H . 18582 1 76 . 1 1 44 44 ILE N N 15 122.52 0.20 . 1 . . . A 44 ILE N . 18582 1 77 . 1 1 45 45 PHE H H 1 8.66 0.05 . 1 . . . A 45 PHE H . 18582 1 78 . 1 1 45 45 PHE N N 15 125.22 0.20 . 1 . . . A 45 PHE N . 18582 1 79 . 1 1 46 46 ALA H H 1 8.90 0.05 . 1 . . . A 46 ALA H . 18582 1 80 . 1 1 46 46 ALA N N 15 133.41 0.20 . 1 . . . A 46 ALA N . 18582 1 81 . 1 1 47 47 GLY H H 1 7.97 0.05 . 1 . . . A 47 GLY H . 18582 1 82 . 1 1 47 47 GLY N N 15 102.88 0.20 . 1 . . . A 47 GLY N . 18582 1 83 . 1 1 48 48 LYS H H 1 7.88 0.05 . 1 . . . A 48 LYS H . 18582 1 84 . 1 1 48 48 LYS N N 15 123.52 0.20 . 1 . . . A 48 LYS N . 18582 1 85 . 1 1 50 50 LEU H H 1 8.47 0.05 . 1 . . . A 50 LEU H . 18582 1 86 . 1 1 50 50 LEU N N 15 125.70 0.20 . 1 . . . A 50 LEU N . 18582 1 87 . 1 1 51 51 GLU H H 1 8.32 0.05 . 1 . . . A 51 GLU H . 18582 1 88 . 1 1 51 51 GLU N N 15 123.36 0.20 . 1 . . . A 51 GLU N . 18582 1 89 . 1 1 52 52 ASP H H 1 8.08 0.05 . 1 . . . A 52 ASP H . 18582 1 90 . 1 1 52 52 ASP N N 15 120.54 0.20 . 1 . . . A 52 ASP N . 18582 1 91 . 1 1 53 53 GLY H H 1 8.62 0.05 . 1 . . . A 53 GLY H . 18582 1 92 . 1 1 53 53 GLY N N 15 117.52 0.20 . 1 . . . A 53 GLY N . 18582 1 93 . 1 1 54 54 ARG H H 1 7.39 0.05 . 1 . . . A 54 ARG H . 18582 1 94 . 1 1 54 54 ARG N N 15 119.47 0.20 . 1 . . . A 54 ARG N . 18582 1 95 . 1 1 55 55 THR H H 1 8.76 0.05 . 1 . . . A 55 THR H . 18582 1 96 . 1 1 55 55 THR N N 15 108.90 0.20 . 1 . . . A 55 THR N . 18582 1 97 . 1 1 56 56 LEU H H 1 8.07 0.05 . 1 . . . A 56 LEU H . 18582 1 98 . 1 1 56 56 LEU N N 15 118.11 0.20 . 1 . . . A 56 LEU N . 18582 1 99 . 1 1 57 57 SER H H 1 8.39 0.05 . 1 . . . A 57 SER H . 18582 1 100 . 1 1 57 57 SER N N 15 113.47 0.20 . 1 . . . A 57 SER N . 18582 1 101 . 1 1 58 58 ASP H H 1 7.85 0.05 . 1 . . . A 58 ASP H . 18582 1 102 . 1 1 58 58 ASP N N 15 124.62 0.20 . 1 . . . A 58 ASP N . 18582 1 103 . 1 1 59 59 TYR H H 1 7.17 0.05 . 1 . . . A 59 TYR H . 18582 1 104 . 1 1 59 59 TYR N N 15 115.85 0.20 . 1 . . . A 59 TYR N . 18582 1 105 . 1 1 60 60 ASN H H 1 8.07 0.05 . 1 . . . A 60 ASN H . 18582 1 106 . 1 1 60 60 ASN N N 15 116.00 0.20 . 1 . . . A 60 ASN N . 18582 1 107 . 1 1 61 61 ILE H H 1 7.17 0.05 . 1 . . . A 61 ILE H . 18582 1 108 . 1 1 61 61 ILE N N 15 118.96 0.20 . 1 . . . A 61 ILE N . 18582 1 109 . 1 1 62 62 GLN H H 1 7.54 0.05 . 1 . . . A 62 GLN H . 18582 1 110 . 1 1 62 62 GLN N N 15 125.00 0.20 . 1 . . . A 62 GLN N . 18582 1 111 . 1 1 63 63 LYS H H 1 8.41 0.05 . 1 . . . A 63 LYS H . 18582 1 112 . 1 1 63 63 LYS N N 15 120.65 0.20 . 1 . . . A 63 LYS N . 18582 1 113 . 1 1 64 64 GLU H H 1 9.24 0.05 . 1 . . . A 64 GLU H . 18582 1 114 . 1 1 64 64 GLU N N 15 114.74 0.20 . 1 . . . A 64 GLU N . 18582 1 115 . 1 1 65 65 SER H H 1 7.59 0.05 . 1 . . . A 65 SER H . 18582 1 116 . 1 1 65 65 SER N N 15 115.06 0.20 . 1 . . . A 65 SER N . 18582 1 117 . 1 1 66 66 THR H H 1 8.53 0.05 . 1 . . . A 66 THR H . 18582 1 118 . 1 1 66 66 THR N N 15 118.64 0.20 . 1 . . . A 66 THR N . 18582 1 119 . 1 1 67 67 LEU H H 1 9.32 0.05 . 1 . . . A 67 LEU H . 18582 1 120 . 1 1 67 67 LEU N N 15 127.90 0.20 . 1 . . . A 67 LEU N . 18582 1 121 . 1 1 68 68 HIS H H 1 9.09 0.05 . 1 . . . A 68 HIS H . 18582 1 122 . 1 1 68 68 HIS N N 15 119.72 0.20 . 1 . . . A 68 HIS N . 18582 1 123 . 1 1 69 69 LEU H H 1 8.28 0.05 . 1 . . . A 69 LEU H . 18582 1 124 . 1 1 69 69 LEU N N 15 124.59 0.20 . 1 . . . A 69 LEU N . 18582 1 125 . 1 1 70 70 VAL H H 1 9.09 0.05 . 1 . . . A 70 VAL H . 18582 1 126 . 1 1 70 70 VAL N N 15 126.61 0.20 . 1 . . . A 70 VAL N . 18582 1 127 . 1 1 71 71 LEU H H 1 8.03 0.05 . 1 . . . A 71 LEU H . 18582 1 128 . 1 1 71 71 LEU N N 15 123.14 0.20 . 1 . . . A 71 LEU N . 18582 1 129 . 1 1 72 72 ARG H H 1 8.46 0.05 . 1 . . . A 72 ARG H . 18582 1 130 . 1 1 72 72 ARG N N 15 123.62 0.20 . 1 . . . A 72 ARG N . 18582 1 131 . 1 1 73 73 LEU H H 1 8.48 0.05 . 1 . . . A 73 LEU H . 18582 1 132 . 1 1 73 73 LEU N N 15 121.11 0.20 . 1 . . . A 73 LEU N . 18582 1 133 . 1 1 74 74 ARG H H 1 8.44 0.05 . 1 . . . A 74 ARG H . 18582 1 134 . 1 1 74 74 ARG N N 15 121.33 0.20 . 1 . . . A 74 ARG N . 18582 1 135 . 1 1 76 76 GLY H H 1 7.86 0.05 . 1 . . . A 76 GLY H . 18582 1 136 . 1 1 76 76 GLY N N 15 115.17 0.20 . 1 . . . A 76 GLY N . 18582 1 137 . 2 2 4 4 GLN H H 1 8.260 0.05 . . . . . C 456 GLN H . 18582 1 138 . 2 2 4 4 GLN HA H 1 4.229 0.05 . . . . . C 456 GLN HA . 18582 1 139 . 2 2 4 4 GLN HB2 H 1 2.137 0.05 . . . . . C 456 GLN HB2 . 18582 1 140 . 2 2 4 4 GLN HB3 H 1 2.137 0.05 . . . . . C 456 GLN HB3 . 18582 1 141 . 2 2 4 4 GLN HG2 H 1 2.368 0.05 . . . . . C 456 GLN HG2 . 18582 1 142 . 2 2 4 4 GLN HG3 H 1 2.368 0.05 . . . . . C 456 GLN HG3 . 18582 1 143 . 2 2 4 4 GLN HE21 H 1 6.818 0.05 . . . . . C 456 GLN HE21 . 18582 1 144 . 2 2 4 4 GLN HE22 H 1 7.458 0.05 . . . . . C 456 GLN HE22 . 18582 1 145 . 2 2 4 4 GLN C C 13 177.738 0.5 . . . . . C 456 GLN C . 18582 1 146 . 2 2 4 4 GLN CA C 13 58.097 0.5 . . . . . C 456 GLN CA . 18582 1 147 . 2 2 4 4 GLN CB C 13 28.282 0.5 . . . . . C 456 GLN CB . 18582 1 148 . 2 2 4 4 GLN CG C 13 34.058 0.5 . . . . . C 456 GLN CG . 18582 1 149 . 2 2 4 4 GLN N N 15 123.150 0.3 . . . . . C 456 GLN N . 18582 1 150 . 2 2 4 4 GLN NE2 N 15 111.019 0.3 . . . . . C 456 GLN NE2 . 18582 1 151 . 2 2 5 5 LEU H H 1 8.110 0.05 . . . . . C 457 LEU H . 18582 1 152 . 2 2 5 5 LEU HA H 1 4.060 0.05 . . . . . C 457 LEU HA . 18582 1 153 . 2 2 5 5 LEU HB2 H 1 1.678 0.05 . . . . . C 457 LEU HB2 . 18582 1 154 . 2 2 5 5 LEU HB3 H 1 1.372 0.05 . . . . . C 457 LEU HB3 . 18582 1 155 . 2 2 5 5 LEU HG H 1 1.625 0.05 . . . . . C 457 LEU HG . 18582 1 156 . 2 2 5 5 LEU HD11 H 1 0.743 0.05 . . . . . C 457 LEU HD11 . 18582 1 157 . 2 2 5 5 LEU HD12 H 1 0.743 0.05 . . . . . C 457 LEU HD12 . 18582 1 158 . 2 2 5 5 LEU HD13 H 1 0.743 0.05 . . . . . C 457 LEU HD13 . 18582 1 159 . 2 2 5 5 LEU HD21 H 1 0.667 0.05 . . . . . C 457 LEU HD21 . 18582 1 160 . 2 2 5 5 LEU HD22 H 1 0.667 0.05 . . . . . C 457 LEU HD22 . 18582 1 161 . 2 2 5 5 LEU HD23 H 1 0.667 0.05 . . . . . C 457 LEU HD23 . 18582 1 162 . 2 2 5 5 LEU C C 13 178.399 0.5 . . . . . C 457 LEU C . 18582 1 163 . 2 2 5 5 LEU CA C 13 57.942 0.5 . . . . . C 457 LEU CA . 18582 1 164 . 2 2 5 5 LEU CB C 13 41.506 0.5 . . . . . C 457 LEU CB . 18582 1 165 . 2 2 5 5 LEU CG C 13 27.218 0.5 . . . . . C 457 LEU CG . 18582 1 166 . 2 2 5 5 LEU CD1 C 13 25.131 0.2 . . . . . C 457 LEU CD1 . 18582 1 167 . 2 2 5 5 LEU CD2 C 13 23.614 0.2 . . . . . C 457 LEU CD2 . 18582 1 168 . 2 2 5 5 LEU N N 15 120.050 0.3 . . . . . C 457 LEU N . 18582 1 169 . 2 2 6 6 ASN H H 1 8.090 0.05 . . . . . C 458 ASN H . 18582 1 170 . 2 2 6 6 ASN HA H 1 4.288 0.05 . . . . . C 458 ASN HA . 18582 1 171 . 2 2 6 6 ASN HB2 H 1 2.797 0.05 . . . . . C 458 ASN HB2 . 18582 1 172 . 2 2 6 6 ASN HB3 H 1 2.797 0.05 . . . . . C 458 ASN HB3 . 18582 1 173 . 2 2 6 6 ASN C C 13 177.740 0.5 . . . . . C 458 ASN C . 18582 1 174 . 2 2 6 6 ASN CA C 13 56.395 0.5 . . . . . C 458 ASN CA . 18582 1 175 . 2 2 6 6 ASN CB C 13 37.955 0.5 . . . . . C 458 ASN CB . 18582 1 176 . 2 2 6 6 ASN N N 15 115.900 0.3 . . . . . C 458 ASN N . 18582 1 177 . 2 2 7 7 ALA H H 1 7.840 0.05 . . . . . C 459 ALA H . 18582 1 178 . 2 2 7 7 ALA HA H 1 4.257 0.05 . . . . . C 459 ALA HA . 18582 1 179 . 2 2 7 7 ALA HB1 H 1 1.511 0.05 . . . . . C 459 ALA HB1 . 18582 1 180 . 2 2 7 7 ALA HB2 H 1 1.511 0.05 . . . . . C 459 ALA HB2 . 18582 1 181 . 2 2 7 7 ALA HB3 H 1 1.511 0.05 . . . . . C 459 ALA HB3 . 18582 1 182 . 2 2 7 7 ALA C C 13 181.142 0.5 . . . . . C 459 ALA C . 18582 1 183 . 2 2 7 7 ALA CA C 13 55.566 0.5 . . . . . C 459 ALA CA . 18582 1 184 . 2 2 7 7 ALA CB C 13 17.877 0.5 . . . . . C 459 ALA CB . 18582 1 185 . 2 2 7 7 ALA N N 15 122.890 0.3 . . . . . C 459 ALA N . 18582 1 186 . 2 2 8 8 MET H H 1 7.990 0.05 . . . . . C 460 MET H . 18582 1 187 . 2 2 8 8 MET HA H 1 4.044 0.05 . . . . . C 460 MET HA . 18582 1 188 . 2 2 8 8 MET HB2 H 1 2.468 0.05 . . . . . C 460 MET HB2 . 18582 1 189 . 2 2 8 8 MET HB3 H 1 2.468 0.05 . . . . . C 460 MET HB3 . 18582 1 190 . 2 2 8 8 MET HG2 H 1 2.802 0.05 . . . . . C 460 MET HG2 . 18582 1 191 . 2 2 8 8 MET HG3 H 1 2.802 0.05 . . . . . C 460 MET HG3 . 18582 1 192 . 2 2 8 8 MET HE1 H 1 1.958 0.05 . . . . . C 460 MET HE1 . 18582 1 193 . 2 2 8 8 MET HE2 H 1 1.958 0.05 . . . . . C 460 MET HE2 . 18582 1 194 . 2 2 8 8 MET HE3 H 1 1.958 0.05 . . . . . C 460 MET HE3 . 18582 1 195 . 2 2 8 8 MET C C 13 177.641 0.5 . . . . . C 460 MET C . 18582 1 196 . 2 2 8 8 MET CA C 13 59.205 0.5 . . . . . C 460 MET CA . 18582 1 197 . 2 2 8 8 MET CB C 13 34.458 0.5 . . . . . C 460 MET CB . 18582 1 198 . 2 2 8 8 MET CG C 13 32.645 0.5 . . . . . C 460 MET CG . 18582 1 199 . 2 2 8 8 MET CE C 13 16.486 0.5 . . . . . C 460 MET CE . 18582 1 200 . 2 2 8 8 MET N N 15 119.210 0.3 . . . . . C 460 MET N . 18582 1 201 . 2 2 9 9 ALA H H 1 8.360 0.05 . . . . . C 461 ALA H . 18582 1 202 . 2 2 9 9 ALA HA H 1 3.722 0.05 . . . . . C 461 ALA HA . 18582 1 203 . 2 2 9 9 ALA HB1 H 1 1.147 0.05 . . . . . C 461 ALA HB1 . 18582 1 204 . 2 2 9 9 ALA HB2 H 1 1.147 0.05 . . . . . C 461 ALA HB2 . 18582 1 205 . 2 2 9 9 ALA HB3 H 1 1.147 0.05 . . . . . C 461 ALA HB3 . 18582 1 206 . 2 2 9 9 ALA C C 13 179.526 0.5 . . . . . C 461 ALA C . 18582 1 207 . 2 2 9 9 ALA CA C 13 55.138 0.5 . . . . . C 461 ALA CA . 18582 1 208 . 2 2 9 9 ALA CB C 13 17.534 0.5 . . . . . C 461 ALA CB . 18582 1 209 . 2 2 9 9 ALA N N 15 121.420 0.3 . . . . . C 461 ALA N . 18582 1 210 . 2 2 10 10 HIS H H 1 8.200 0.05 . . . . . C 462 HIS H . 18582 1 211 . 2 2 10 10 HIS HA H 1 4.404 0.05 . . . . . C 462 HIS HA . 18582 1 212 . 2 2 10 10 HIS HB2 H 1 3.297 0.05 . . . . . C 462 HIS HB2 . 18582 1 213 . 2 2 10 10 HIS HB3 H 1 3.297 0.05 . . . . . C 462 HIS HB3 . 18582 1 214 . 2 2 10 10 HIS HD2 H 1 7.106 0.05 . . . . . C 462 HIS HD2 . 18582 1 215 . 2 2 10 10 HIS HE1 H 1 7.787 0.05 . . . . . C 462 HIS HE1 . 18582 1 216 . 2 2 10 10 HIS C C 13 176.734 0.5 . . . . . C 462 HIS C . 18582 1 217 . 2 2 10 10 HIS CA C 13 60.274 0.5 . . . . . C 462 HIS CA . 18582 1 218 . 2 2 10 10 HIS CB C 13 29.385 0.5 . . . . . C 462 HIS CB . 18582 1 219 . 2 2 10 10 HIS CD2 C 13 121.226 0.5 . . . . . C 462 HIS CD2 . 18582 1 220 . 2 2 10 10 HIS CE1 C 13 137.481 0.5 . . . . . C 462 HIS CE1 . 18582 1 221 . 2 2 10 10 HIS N N 15 117.430 0.3 . . . . . C 462 HIS N . 18582 1 222 . 2 2 11 11 GLN H H 1 7.840 0.05 . . . . . C 463 GLN H . 18582 1 223 . 2 2 11 11 GLN HA H 1 4.044 0.05 . . . . . C 463 GLN HA . 18582 1 224 . 2 2 11 11 GLN HB2 H 1 2.302 0.05 . . . . . C 463 GLN HB2 . 18582 1 225 . 2 2 11 11 GLN HB3 H 1 2.302 0.05 . . . . . C 463 GLN HB3 . 18582 1 226 . 2 2 11 11 GLN HG2 H 1 2.495 0.05 . . . . . C 463 GLN HG2 . 18582 1 227 . 2 2 11 11 GLN HG3 H 1 2.495 0.05 . . . . . C 463 GLN HG3 . 18582 1 228 . 2 2 11 11 GLN HE21 H 1 6.853 0.05 . . . . . C 463 GLN HE21 . 18582 1 229 . 2 2 11 11 GLN HE22 H 1 7.662 0.05 . . . . . C 463 GLN HE22 . 18582 1 230 . 2 2 11 11 GLN C C 13 179.065 0.5 . . . . . C 463 GLN C . 18582 1 231 . 2 2 11 11 GLN CA C 13 59.205 0.5 . . . . . C 463 GLN CA . 18582 1 232 . 2 2 11 11 GLN CB C 13 28.440 0.5 . . . . . C 463 GLN CB . 18582 1 233 . 2 2 11 11 GLN CG C 13 33.913 0.5 . . . . . C 463 GLN CG . 18582 1 234 . 2 2 11 11 GLN N N 15 118.610 0.3 . . . . . C 463 GLN N . 18582 1 235 . 2 2 11 11 GLN NE2 N 15 111.695 0.3 . . . . . C 463 GLN NE2 . 18582 1 236 . 2 2 12 12 ILE H H 1 7.850 0.05 . . . . . C 464 ILE H . 18582 1 237 . 2 2 12 12 ILE HA H 1 3.787 0.05 . . . . . C 464 ILE HA . 18582 1 238 . 2 2 12 12 ILE HB H 1 1.898 0.05 . . . . . C 464 ILE HB . 18582 1 239 . 2 2 12 12 ILE HG12 H 1 0.903 0.05 . . . . . C 464 ILE HG12 . 18582 1 240 . 2 2 12 12 ILE HG13 H 1 1.181 0.05 . . . . . C 464 ILE HG13 . 18582 1 241 . 2 2 12 12 ILE HG21 H 1 1.646 0.05 . . . . . C 464 ILE HG21 . 18582 1 242 . 2 2 12 12 ILE HG22 H 1 1.646 0.05 . . . . . C 464 ILE HG22 . 18582 1 243 . 2 2 12 12 ILE HG23 H 1 1.646 0.05 . . . . . C 464 ILE HG23 . 18582 1 244 . 2 2 12 12 ILE HD11 H 1 0.766 0.05 . . . . . C 464 ILE HD11 . 18582 1 245 . 2 2 12 12 ILE HD12 H 1 0.766 0.05 . . . . . C 464 ILE HD12 . 18582 1 246 . 2 2 12 12 ILE HD13 H 1 0.766 0.05 . . . . . C 464 ILE HD13 . 18582 1 247 . 2 2 12 12 ILE C C 13 177.740 0.5 . . . . . C 464 ILE C . 18582 1 248 . 2 2 12 12 ILE CA C 13 64.380 0.5 . . . . . C 464 ILE CA . 18582 1 249 . 2 2 12 12 ILE CB C 13 37.339 0.5 . . . . . C 464 ILE CB . 18582 1 250 . 2 2 12 12 ILE CG1 C 13 28.287 0.5 . . . . . C 464 ILE CG1 . 18582 1 251 . 2 2 12 12 ILE CG2 C 13 19.050 0.5 . . . . . C 464 ILE CG2 . 18582 1 252 . 2 2 12 12 ILE CD1 C 13 13.715 0.2 . . . . . C 464 ILE CD1 . 18582 1 253 . 2 2 12 12 ILE N N 15 118.710 0.3 . . . . . C 464 ILE N . 18582 1 254 . 2 2 13 13 GLN H H 1 8.600 0.05 . . . . . C 465 GLN H . 18582 1 255 . 2 2 13 13 GLN HA H 1 3.921 0.05 . . . . . C 465 GLN HA . 18582 1 256 . 2 2 13 13 GLN HB2 H 1 2.302 0.05 . . . . . C 465 GLN HB2 . 18582 1 257 . 2 2 13 13 GLN HB3 H 1 2.021 0.05 . . . . . C 465 GLN HB3 . 18582 1 258 . 2 2 13 13 GLN HG2 H 1 2.511 0.05 . . . . . C 465 GLN HG2 . 18582 1 259 . 2 2 13 13 GLN HG3 H 1 2.511 0.05 . . . . . C 465 GLN HG3 . 18582 1 260 . 2 2 13 13 GLN HE21 H 1 6.853 0.05 . . . . . C 465 GLN HE21 . 18582 1 261 . 2 2 13 13 GLN HE22 H 1 7.454 0.05 . . . . . C 465 GLN HE22 . 18582 1 262 . 2 2 13 13 GLN C C 13 177.191 0.5 . . . . . C 465 GLN C . 18582 1 263 . 2 2 13 13 GLN CA C 13 58.783 0.5 . . . . . C 465 GLN CA . 18582 1 264 . 2 2 13 13 GLN CB C 13 28.440 0.5 . . . . . C 465 GLN CB . 18582 1 265 . 2 2 13 13 GLN CG C 13 34.540 0.5 . . . . . C 465 GLN CG . 18582 1 266 . 2 2 13 13 GLN N N 15 120.500 0.3 . . . . . C 465 GLN N . 18582 1 267 . 2 2 13 13 GLN NE2 N 15 112.009 0.3 . . . . . C 465 GLN NE2 . 18582 1 268 . 2 2 14 14 GLU H H 1 7.450 0.05 . . . . . C 466 GLU H . 18582 1 269 . 2 2 14 14 GLU HA H 1 3.822 0.05 . . . . . C 466 GLU HA . 18582 1 270 . 2 2 14 14 GLU HB2 H 1 1.924 0.05 . . . . . C 466 GLU HB2 . 18582 1 271 . 2 2 14 14 GLU HB3 H 1 2.004 0.05 . . . . . C 466 GLU HB3 . 18582 1 272 . 2 2 14 14 GLU HG2 H 1 2.297 0.05 . . . . . C 466 GLU HG2 . 18582 1 273 . 2 2 14 14 GLU HG3 H 1 2.114 0.05 . . . . . C 466 GLU HG3 . 18582 1 274 . 2 2 14 14 GLU C C 13 178.269 0.5 . . . . . C 466 GLU C . 18582 1 275 . 2 2 14 14 GLU CA C 13 58.640 0.5 . . . . . C 466 GLU CA . 18582 1 276 . 2 2 14 14 GLU CB C 13 29.583 0.5 . . . . . C 466 GLU CB . 18582 1 277 . 2 2 14 14 GLU CG C 13 36.785 0.5 . . . . . C 466 GLU CG . 18582 1 278 . 2 2 14 14 GLU N N 15 115.72 0.3 . . . . . C 466 GLU N . 18582 1 279 . 2 2 15 15 MET H H 1 6.800 0.05 . . . . . C 467 MET H . 18582 1 280 . 2 2 15 15 MET HA H 1 3.966 0.05 . . . . . C 467 MET HA . 18582 1 281 . 2 2 15 15 MET HB2 H 1 1.759 0.05 . . . . . C 467 MET HB2 . 18582 1 282 . 2 2 15 15 MET HB3 H 1 1.426 0.05 . . . . . C 467 MET HB3 . 18582 1 283 . 2 2 15 15 MET HG2 H 1 2.368 0.05 . . . . . C 467 MET HG2 . 18582 1 284 . 2 2 15 15 MET HG3 H 1 1.951 0.05 . . . . . C 467 MET HG3 . 18582 1 285 . 2 2 15 15 MET HE1 H 1 1.797 0.05 . . . . . C 467 MET HE1 . 18582 1 286 . 2 2 15 15 MET HE2 H 1 1.797 0.05 . . . . . C 467 MET HE2 . 18582 1 287 . 2 2 15 15 MET HE3 H 1 1.797 0.05 . . . . . C 467 MET HE3 . 18582 1 288 . 2 2 15 15 MET C C 13 175.684 0.5 . . . . . C 467 MET C . 18582 1 289 . 2 2 15 15 MET CA C 13 57.142 0.5 . . . . . C 467 MET CA . 18582 1 290 . 2 2 15 15 MET CB C 13 34.128 0.5 . . . . . C 467 MET CB . 18582 1 291 . 2 2 15 15 MET CG C 13 31.777 0.5 . . . . . C 467 MET CG . 18582 1 292 . 2 2 15 15 MET CE C 13 17.729 0.5 . . . . . C 467 MET CE . 18582 1 293 . 2 2 15 15 MET N N 15 115.080 0.3 . . . . . C 467 MET N . 18582 1 294 . 2 2 16 16 PHE H H 1 7.870 0.05 . . . . . C 468 PHE H . 18582 1 295 . 2 2 16 16 PHE HA H 1 4.920 0.05 . . . . . C 468 PHE HA . 18582 1 296 . 2 2 16 16 PHE HB2 H 1 2.961 0.05 . . . . . C 468 PHE HB2 . 18582 1 297 . 2 2 16 16 PHE HB3 H 1 2.763 0.05 . . . . . C 468 PHE HB3 . 18582 1 298 . 2 2 16 16 PHE HD1 H 1 7.291 0.05 . . . . . C 468 PHE HD1 . 18582 1 299 . 2 2 16 16 PHE HD2 H 1 7.291 0.05 . . . . . C 468 PHE HD2 . 18582 1 300 . 2 2 16 16 PHE HE1 H 1 7.258 0.05 . . . . . C 468 PHE HE1 . 18582 1 301 . 2 2 16 16 PHE HE2 H 1 7.258 0.05 . . . . . C 468 PHE HE2 . 18582 1 302 . 2 2 16 16 PHE HZ H 1 7.242 0.05 . . . . . C 468 PHE HZ . 18582 1 303 . 2 2 16 16 PHE C C 13 177.991 0.5 . . . . . C 468 PHE C . 18582 1 304 . 2 2 16 16 PHE CA C 13 54.842 0.5 . . . . . C 468 PHE CA . 18582 1 305 . 2 2 16 16 PHE CB C 13 39.224 0.5 . . . . . C 468 PHE CB . 18582 1 306 . 2 2 16 16 PHE CD1 C 13 131.819 0.5 . . . . . C 468 PHE CD1 . 18582 1 307 . 2 2 16 16 PHE CD2 C 13 131.819 0.5 . . . . . C 468 PHE CD2 . 18582 1 308 . 2 2 16 16 PHE CE1 C 13 129.731 0.5 . . . . . C 468 PHE CE1 . 18582 1 309 . 2 2 16 16 PHE CE2 C 13 129.731 0.5 . . . . . C 468 PHE CE2 . 18582 1 310 . 2 2 16 16 PHE CZ C 13 131.798 0.5 . . . . . C 468 PHE CZ . 18582 1 311 . 2 2 16 16 PHE N N 15 113.750 0.3 . . . . . C 468 PHE N . 18582 1 312 . 2 2 17 17 PRO HA H 1 4.550 0.05 . . . . . C 469 PRO HA . 18582 1 313 . 2 2 17 17 PRO HB2 H 1 1.937 0.05 . . . . . C 469 PRO HB2 . 18582 1 314 . 2 2 17 17 PRO HB3 H 1 2.310 0.05 . . . . . C 469 PRO HB3 . 18582 1 315 . 2 2 17 17 PRO HD2 H 1 3.426 0.05 . . . . . C 469 PRO HD2 . 18582 1 316 . 2 2 17 17 PRO HD3 H 1 3.225 0.05 . . . . . C 469 PRO HD3 . 18582 1 317 . 2 2 17 17 PRO C C 13 177.991 0.5 . . . . . C 469 PRO C . 18582 1 318 . 2 2 17 17 PRO CA C 13 64.672 0.5 . . . . . C 469 PRO CA . 18582 1 319 . 2 2 17 17 PRO CB C 13 31.698 0.5 . . . . . C 469 PRO CB . 18582 1 320 . 2 2 17 17 PRO CG C 13 27.083 0.5 . . . . . C 469 PRO CG . 18582 1 321 . 2 2 17 17 PRO CD C 13 49.975 0.5 . . . . . C 469 PRO CD . 18582 1 322 . 2 2 18 18 GLN H H 1 9.500 0.05 . . . . . C 470 GLN H . 18582 1 323 . 2 2 18 18 GLN HA H 1 4.288 0.05 . . . . . C 470 GLN HA . 18582 1 324 . 2 2 18 18 GLN HB2 H 1 2.064 0.05 . . . . . C 470 GLN HB2 . 18582 1 325 . 2 2 18 18 GLN HB3 H 1 2.064 0.05 . . . . . C 470 GLN HB3 . 18582 1 326 . 2 2 18 18 GLN HG2 H 1 2.495 0.05 . . . . . C 470 GLN HG2 . 18582 1 327 . 2 2 18 18 GLN HG3 H 1 2.296 0.05 . . . . . C 470 GLN HG3 . 18582 1 328 . 2 2 18 18 GLN HE21 H 1 6.884 0.05 . . . . . C 470 GLN HE21 . 18582 1 329 . 2 2 18 18 GLN HE22 H 1 7.627 0.05 . . . . . C 470 GLN HE22 . 18582 1 330 . 2 2 18 18 GLN C C 13 176.176 0.5 . . . . . C 470 GLN C . 18582 1 331 . 2 2 18 18 GLN CA C 13 56.395 0.5 . . . . . C 470 GLN CA . 18582 1 332 . 2 2 18 18 GLN CB C 13 27.953 0.5 . . . . . C 470 GLN CB . 18582 1 333 . 2 2 18 18 GLN CG C 13 33.913 0.5 . . . . . C 470 GLN CG . 18582 1 334 . 2 2 18 18 GLN N N 15 116.900 0.3 . . . . . C 470 GLN N . 18582 1 335 . 2 2 18 18 GLN NE2 N 15 111.462 0.3 . . . . . C 470 GLN NE2 . 18582 1 336 . 2 2 19 19 VAL H H 1 7.7660 0.05 . . . . . C 471 VAL H . 18582 1 337 . 2 2 19 19 VAL HA H 1 4.163 0.05 . . . . . C 471 VAL HA . 18582 1 338 . 2 2 19 19 VAL HB H 1 2.000 0.05 . . . . . C 471 VAL HB . 18582 1 339 . 2 2 19 19 VAL HG11 H 1 0.649 0.05 . . . . . C 471 VAL HG11 . 18582 1 340 . 2 2 19 19 VAL HG12 H 1 0.649 0.05 . . . . . C 471 VAL HG12 . 18582 1 341 . 2 2 19 19 VAL HG13 H 1 0.649 0.05 . . . . . C 471 VAL HG13 . 18582 1 342 . 2 2 19 19 VAL HG21 H 1 0.778 0.05 . . . . . C 471 VAL HG21 . 18582 1 343 . 2 2 19 19 VAL HG22 H 1 0.778 0.05 . . . . . C 471 VAL HG22 . 18582 1 344 . 2 2 19 19 VAL HG23 H 1 0.778 0.05 . . . . . C 471 VAL HG23 . 18582 1 345 . 2 2 19 19 VAL CA C 13 59.856 0.5 . . . . . C 471 VAL CA . 18582 1 346 . 2 2 19 19 VAL CB C 13 31.904 0.5 . . . . . C 471 VAL CB . 18582 1 347 . 2 2 19 19 VAL CG1 C 13 21.413 0.3 . . . . . C 471 VAL CG1 . 18582 1 348 . 2 2 19 19 VAL CG2 C 13 20.741 0.3 . . . . . C 471 VAL CG2 . 18582 1 349 . 2 2 19 19 VAL N N 15 124.44 0.3 . . . . . C 471 VAL N . 18582 1 350 . 2 2 20 20 PRO HA H 1 4.350 0.05 . . . . . C 472 PRO HA . 18582 1 351 . 2 2 20 20 PRO HB2 H 1 1.945 0.05 . . . . . C 472 PRO HB2 . 18582 1 352 . 2 2 20 20 PRO HB3 H 1 1.945 0.05 . . . . . C 472 PRO HB3 . 18582 1 353 . 2 2 20 20 PRO HG2 H 1 1.569 0.05 . . . . . C 472 PRO HG2 . 18582 1 354 . 2 2 20 20 PRO HG3 H 1 1.569 0.05 . . . . . C 472 PRO HG3 . 18582 1 355 . 2 2 20 20 PRO HD2 H 1 4.143 0.05 . . . . . C 472 PRO HD2 . 18582 1 356 . 2 2 20 20 PRO HD3 H 1 3.387 0.05 . . . . . C 472 PRO HD3 . 18582 1 357 . 2 2 20 20 PRO C C 13 177.616 0.5 . . . . . C 472 PRO C . 18582 1 358 . 2 2 20 20 PRO CA C 13 63.024 0.5 . . . . . C 472 PRO CA . 18582 1 359 . 2 2 20 20 PRO CB C 13 32.696 0.5 . . . . . C 472 PRO CB . 18582 1 360 . 2 2 20 20 PRO CG C 13 27.575 0.5 . . . . . C 472 PRO CG . 18582 1 361 . 2 2 20 20 PRO CD C 13 51.089 0.5 . . . . . C 472 PRO CD . 18582 1 362 . 2 2 21 21 TYR H H 1 8.830 0.05 . . . . . C 473 TYR H . 18582 1 363 . 2 2 21 21 TYR HA H 1 3.716 0.05 . . . . . C 473 TYR HA . 18582 1 364 . 2 2 21 21 TYR HB2 H 1 3.109 0.05 . . . . . C 473 TYR HB2 . 18582 1 365 . 2 2 21 21 TYR HB3 H 1 2.925 0.05 . . . . . C 473 TYR HB3 . 18582 1 366 . 2 2 21 21 TYR HD1 H 1 6.807 0.05 . . . . . C 473 TYR HD1 . 18582 1 367 . 2 2 21 21 TYR HD2 H 1 6.807 0.05 . . . . . C 473 TYR HD2 . 18582 1 368 . 2 2 21 21 TYR HE1 H 1 6.377 0.05 . . . . . C 473 TYR HE1 . 18582 1 369 . 2 2 21 21 TYR HE2 H 1 6.377 0.05 . . . . . C 473 TYR HE2 . 18582 1 370 . 2 2 21 21 TYR C C 13 176.954 0.5 . . . . . C 473 TYR C . 18582 1 371 . 2 2 21 21 TYR CA C 13 62.552 0.5 . . . . . C 473 TYR CA . 18582 1 372 . 2 2 21 21 TYR CB C 13 38.861 0.5 . . . . . C 473 TYR CB . 18582 1 373 . 2 2 21 21 TYR CD1 C 13 132.688 0.5 . . . . . C 473 TYR CD1 . 18582 1 374 . 2 2 21 21 TYR CD2 C 13 132.688 0.5 . . . . . C 473 TYR CD2 . 18582 1 375 . 2 2 21 21 TYR CE1 C 13 117.881 0.5 . . . . . C 473 TYR CE1 . 18582 1 376 . 2 2 21 21 TYR CE2 C 13 117.881 0.5 . . . . . C 473 TYR CE2 . 18582 1 377 . 2 2 21 21 TYR N N 15 126.320 0.3 . . . . . C 473 TYR N . 18582 1 378 . 2 2 22 22 HIS H H 1 8.680 0.05 . . . . . C 474 HIS H . 18582 1 379 . 2 2 22 22 HIS HA H 1 4.044 0.05 . . . . . C 474 HIS HA . 18582 1 380 . 2 2 22 22 HIS HB2 H 1 3.115 0.05 . . . . . C 474 HIS HB2 . 18582 1 381 . 2 2 22 22 HIS HB3 H 1 3.115 0.05 . . . . . C 474 HIS HB3 . 18582 1 382 . 2 2 22 22 HIS HD2 H 1 6.933 0.05 . . . . . C 474 HIS HD2 . 18582 1 383 . 2 2 22 22 HIS HE1 H 1 7.720 0.05 . . . . . C 474 HIS HE1 . 18582 1 384 . 2 2 22 22 HIS C C 13 177.602 0.5 . . . . . C 474 HIS C . 18582 1 385 . 2 2 22 22 HIS CA C 13 59.205 0.5 . . . . . C 474 HIS CA . 18582 1 386 . 2 2 22 22 HIS CB C 13 29.168 0.5 . . . . . C 474 HIS CB . 18582 1 387 . 2 2 22 22 HIS CD2 C 13 118.987 0.5 . . . . . C 474 HIS CD2 . 18582 1 388 . 2 2 22 22 HIS CE1 C 13 138.996 0.5 . . . . . C 474 HIS CE1 . 18582 1 389 . 2 2 22 22 HIS N N 15 113.220 0.3 . . . . . C 474 HIS N . 18582 1 390 . 2 2 23 23 LEU H H 1 6.600 0.05 . . . . . C 475 LEU H . 18582 1 391 . 2 2 23 23 LEU HA H 1 3.945 0.05 . . . . . C 475 LEU HA . 18582 1 392 . 2 2 23 23 LEU HB2 H 1 1.507 0.05 . . . . . C 475 LEU HB2 . 18582 1 393 . 2 2 23 23 LEU HB3 H 1 1.122 0.05 . . . . . C 475 LEU HB3 . 18582 1 394 . 2 2 23 23 LEU HG H 1 0.750 0.05 . . . . . C 475 LEU HG . 18582 1 395 . 2 2 23 23 LEU HD11 H 1 0.643 0.05 . . . . . C 475 LEU HD11 . 18582 1 396 . 2 2 23 23 LEU HD12 H 1 0.643 0.05 . . . . . C 475 LEU HD12 . 18582 1 397 . 2 2 23 23 LEU HD13 H 1 0.643 0.05 . . . . . C 475 LEU HD13 . 18582 1 398 . 2 2 23 23 LEU HD21 H 1 0.705 0.05 . . . . . C 475 LEU HD21 . 18582 1 399 . 2 2 23 23 LEU HD22 H 1 0.705 0.05 . . . . . C 475 LEU HD22 . 18582 1 400 . 2 2 23 23 LEU HD23 H 1 0.705 0.05 . . . . . C 475 LEU HD23 . 18582 1 401 . 2 2 23 23 LEU C C 13 179.521 0.5 . . . . . C 475 LEU C . 18582 1 402 . 2 2 23 23 LEU CA C 13 56.665 0.5 . . . . . C 475 LEU CA . 18582 1 403 . 2 2 23 23 LEU CB C 13 41.257 0.5 . . . . . C 475 LEU CB . 18582 1 404 . 2 2 23 23 LEU CG C 13 26.504 0.5 . . . . . C 475 LEU CG . 18582 1 405 . 2 2 23 23 LEU CD1 C 13 22.151 0.2 . . . . . C 475 LEU CD1 . 18582 1 406 . 2 2 23 23 LEU CD2 C 13 25.235 0.2 . . . . . C 475 LEU CD2 . 18582 1 407 . 2 2 23 23 LEU N N 15 119.450 0.3 . . . . . C 475 LEU N . 18582 1 408 . 2 2 24 24 VAL H H 1 7.180 0.05 . . . . . C 476 VAL H . 18582 1 409 . 2 2 24 24 VAL HA H 1 3.157 0.05 . . . . . C 476 VAL HA . 18582 1 410 . 2 2 24 24 VAL HB H 1 1.930 0.05 . . . . . C 476 VAL HB . 18582 1 411 . 2 2 24 24 VAL HG11 H 1 0.693 0.05 . . . . . C 476 VAL HG11 . 18582 1 412 . 2 2 24 24 VAL HG12 H 1 0.693 0.05 . . . . . C 476 VAL HG12 . 18582 1 413 . 2 2 24 24 VAL HG13 H 1 0.693 0.05 . . . . . C 476 VAL HG13 . 18582 1 414 . 2 2 24 24 VAL HG21 H 1 0.710 0.05 . . . . . C 476 VAL HG21 . 18582 1 415 . 2 2 24 24 VAL HG22 H 1 0.710 0.05 . . . . . C 476 VAL HG22 . 18582 1 416 . 2 2 24 24 VAL HG23 H 1 0.710 0.05 . . . . . C 476 VAL HG23 . 18582 1 417 . 2 2 24 24 VAL C C 13 177.081 0.5 . . . . . C 476 VAL C . 18582 1 418 . 2 2 24 24 VAL CA C 13 66.861 0.5 . . . . . C 476 VAL CA . 18582 1 419 . 2 2 24 24 VAL CB C 13 31.904 0.5 . . . . . C 476 VAL CB . 18582 1 420 . 2 2 24 24 VAL CG1 C 13 22.610 0.3 . . . . . C 476 VAL CG1 . 18582 1 421 . 2 2 24 24 VAL CG2 C 13 22.141 0.3 . . . . . C 476 VAL CG2 . 18582 1 422 . 2 2 24 24 VAL N N 15 120.890 0.3 . . . . . C 476 VAL N . 18582 1 423 . 2 2 25 25 LEU H H 1 8.100 0.05 . . . . . C 477 LEU H . 18582 1 424 . 2 2 25 25 LEU HA H 1 3.651 0.05 . . . . . C 477 LEU HA . 18582 1 425 . 2 2 25 25 LEU HB2 H 1 1.372 0.05 . . . . . C 477 LEU HB2 . 18582 1 426 . 2 2 25 25 LEU HB3 H 1 0.854 0.05 . . . . . C 477 LEU HB3 . 18582 1 427 . 2 2 25 25 LEU HG H 1 1.306 0.05 . . . . . C 477 LEU HG . 18582 1 428 . 2 2 25 25 LEU HD11 H 1 0.724 0.05 . . . . . C 477 LEU HD11 . 18582 1 429 . 2 2 25 25 LEU HD12 H 1 0.724 0.05 . . . . . C 477 LEU HD12 . 18582 1 430 . 2 2 25 25 LEU HD13 H 1 0.724 0.05 . . . . . C 477 LEU HD13 . 18582 1 431 . 2 2 25 25 LEU HD21 H 1 0.646 0.05 . . . . . C 477 LEU HD21 . 18582 1 432 . 2 2 25 25 LEU HD22 H 1 0.646 0.05 . . . . . C 477 LEU HD22 . 18582 1 433 . 2 2 25 25 LEU HD23 H 1 0.646 0.05 . . . . . C 477 LEU HD23 . 18582 1 434 . 2 2 25 25 LEU C C 13 178.115 0.5 . . . . . C 477 LEU C . 18582 1 435 . 2 2 25 25 LEU CA C 13 57.911 0.5 . . . . . C 477 LEU CA . 18582 1 436 . 2 2 25 25 LEU CB C 13 41.541 0.5 . . . . . C 477 LEU CB . 18582 1 437 . 2 2 25 25 LEU CG C 13 26.648 0.5 . . . . . C 477 LEU CG . 18582 1 438 . 2 2 25 25 LEU CD1 C 13 24.707 0.2 . . . . . C 477 LEU CD1 . 18582 1 439 . 2 2 25 25 LEU CD2 C 13 23.623 0.2 . . . . . C 477 LEU CD2 . 18582 1 440 . 2 2 25 25 LEU N N 15 118.710 0.3 . . . . . C 477 LEU N . 18582 1 441 . 2 2 26 26 GLN H H 1 7.550 0.05 . . . . . C 478 GLN H . 18582 1 442 . 2 2 26 26 GLN HA H 1 3.853 0.05 . . . . . C 478 GLN HA . 18582 1 443 . 2 2 26 26 GLN HB2 H 1 2.034 0.05 . . . . . C 478 GLN HB2 . 18582 1 444 . 2 2 26 26 GLN HB3 H 1 2.034 0.05 . . . . . C 478 GLN HB3 . 18582 1 445 . 2 2 26 26 GLN HG2 H 1 2.296 0.05 . . . . . C 478 GLN HG2 . 18582 1 446 . 2 2 26 26 GLN HG3 H 1 2.296 0.05 . . . . . C 478 GLN HG3 . 18582 1 447 . 2 2 26 26 GLN HE21 H 1 6.745 0.05 . . . . . C 478 GLN HE21 . 18582 1 448 . 2 2 26 26 GLN HE22 H 1 7.402 0.05 . . . . . C 478 GLN HE22 . 18582 1 449 . 2 2 26 26 GLN C C 13 178.203 0.5 . . . . . C 478 GLN C . 18582 1 450 . 2 2 26 26 GLN CA C 13 58.842 0.5 . . . . . C 478 GLN CA . 18582 1 451 . 2 2 26 26 GLN CB C 13 28.894 0.5 . . . . . C 478 GLN CB . 18582 1 452 . 2 2 26 26 GLN CG C 13 34.053 0.5 . . . . . C 478 GLN CG . 18582 1 453 . 2 2 26 26 GLN N N 15 115.520 0.3 . . . . . C 478 GLN N . 18582 1 454 . 2 2 26 26 GLN NE2 N 15 110.715 0.3 . . . . . C 478 GLN NE2 . 18582 1 455 . 2 2 27 27 ASP H H 1 7.390 0.05 . . . . . C 479 ASP H . 18582 1 456 . 2 2 27 27 ASP HA H 1 4.426 0.05 . . . . . C 479 ASP HA . 18582 1 457 . 2 2 27 27 ASP HB2 H 1 2.529 0.05 . . . . . C 479 ASP HB2 . 18582 1 458 . 2 2 27 27 ASP HB3 H 1 2.453 0.05 . . . . . C 479 ASP HB3 . 18582 1 459 . 2 2 27 27 ASP C C 13 178.533 0.5 . . . . . C 479 ASP C . 18582 1 460 . 2 2 27 27 ASP CA C 13 58.388 0.5 . . . . . C 479 ASP CA . 18582 1 461 . 2 2 27 27 ASP CB C 13 43.200 0.5 . . . . . C 479 ASP CB . 18582 1 462 . 2 2 27 27 ASP N N 15 119.110 0.3 . . . . . C 479 ASP N . 18582 1 463 . 2 2 28 28 LEU H H 1 8.400 0.05 . . . . . C 480 LEU H . 18582 1 464 . 2 2 28 28 LEU HA H 1 4.288 0.05 . . . . . C 480 LEU HA . 18582 1 465 . 2 2 28 28 LEU HB2 H 1 1.163 0.05 . . . . . C 480 LEU HB2 . 18582 1 466 . 2 2 28 28 LEU HB3 H 1 1.180 0.05 . . . . . C 480 LEU HB3 . 18582 1 467 . 2 2 28 28 LEU HG H 1 0.651 0.05 . . . . . C 480 LEU HG . 18582 1 468 . 2 2 28 28 LEU HD11 H 1 0.598 0.05 . . . . . C 480 LEU HD11 . 18582 1 469 . 2 2 28 28 LEU HD12 H 1 0.598 0.05 . . . . . C 480 LEU HD12 . 18582 1 470 . 2 2 28 28 LEU HD13 H 1 0.598 0.05 . . . . . C 480 LEU HD13 . 18582 1 471 . 2 2 28 28 LEU HD21 H 1 0.623 0.05 . . . . . C 480 LEU HD21 . 18582 1 472 . 2 2 28 28 LEU HD22 H 1 0.623 0.05 . . . . . C 480 LEU HD22 . 18582 1 473 . 2 2 28 28 LEU HD23 H 1 0.623 0.05 . . . . . C 480 LEU HD23 . 18582 1 474 . 2 2 28 28 LEU C C 13 180.062 0.5 . . . . . C 480 LEU C . 18582 1 475 . 2 2 28 28 LEU CA C 13 56.395 0.5 . . . . . C 480 LEU CA . 18582 1 476 . 2 2 28 28 LEU CB C 13 43.292 0.5 . . . . . C 480 LEU CB . 18582 1 477 . 2 2 28 28 LEU CG C 13 26.589 0.5 . . . . . C 480 LEU CG . 18582 1 478 . 2 2 28 28 LEU CD1 C 13 26.883 0.2 . . . . . C 480 LEU CD1 . 18582 1 479 . 2 2 28 28 LEU CD2 C 13 23.494 0.2 . . . . . C 480 LEU CD2 . 18582 1 480 . 2 2 28 28 LEU N N 15 118.990 0.3 . . . . . C 480 LEU N . 18582 1 481 . 2 2 29 29 GLN H H 1 8.030 0.05 . . . . . C 481 GLN H . 18582 1 482 . 2 2 29 29 GLN HA H 1 3.793 0.05 . . . . . C 481 GLN HA . 18582 1 483 . 2 2 29 29 GLN HG2 H 1 2.495 0.05 . . . . . C 481 GLN HG2 . 18582 1 484 . 2 2 29 29 GLN HG3 H 1 2.296 0.05 . . . . . C 481 GLN HG3 . 18582 1 485 . 2 2 29 29 GLN HE21 H 1 6.742 0.05 . . . . . C 481 GLN HE21 . 18582 1 486 . 2 2 29 29 GLN HE22 H 1 7.047 0.05 . . . . . C 481 GLN HE22 . 18582 1 487 . 2 2 29 29 GLN C C 13 177.384 0.5 . . . . . C 481 GLN C . 18582 1 488 . 2 2 29 29 GLN CA C 13 58.640 0.5 . . . . . C 481 GLN CA . 18582 1 489 . 2 2 29 29 GLN CG C 13 33.913 0.5 . . . . . C 481 GLN CG . 18582 1 490 . 2 2 29 29 GLN N N 15 116.850 0.3 . . . . . C 481 GLN N . 18582 1 491 . 2 2 29 29 GLN NE2 N 15 110.170 0.3 . . . . . C 481 GLN NE2 . 18582 1 492 . 2 2 30 30 LEU H H 1 7.230 0.05 . . . . . C 482 LEU H . 18582 1 493 . 2 2 30 30 LEU HA H 1 4.288 0.05 . . . . . C 482 LEU HA . 18582 1 494 . 2 2 30 30 LEU HB2 H 1 1.965 0.05 . . . . . C 482 LEU HB2 . 18582 1 495 . 2 2 30 30 LEU HB3 H 1 1.579 0.05 . . . . . C 482 LEU HB3 . 18582 1 496 . 2 2 30 30 LEU HG H 1 1.662 0.05 . . . . . C 482 LEU HG . 18582 1 497 . 2 2 30 30 LEU HD11 H 1 0.844 0.05 . . . . . C 482 LEU HD11 . 18582 1 498 . 2 2 30 30 LEU HD12 H 1 0.844 0.05 . . . . . C 482 LEU HD12 . 18582 1 499 . 2 2 30 30 LEU HD13 H 1 0.844 0.05 . . . . . C 482 LEU HD13 . 18582 1 500 . 2 2 30 30 LEU HD21 H 1 0.738 0.05 . . . . . C 482 LEU HD21 . 18582 1 501 . 2 2 30 30 LEU HD22 H 1 0.738 0.05 . . . . . C 482 LEU HD22 . 18582 1 502 . 2 2 30 30 LEU HD23 H 1 0.738 0.05 . . . . . C 482 LEU HD23 . 18582 1 503 . 2 2 30 30 LEU C C 13 179.073 0.5 . . . . . C 482 LEU C . 18582 1 504 . 2 2 30 30 LEU CA C 13 56.395 0.5 . . . . . C 482 LEU CA . 18582 1 505 . 2 2 30 30 LEU CB C 13 42.378 0.5 . . . . . C 482 LEU CB . 18582 1 506 . 2 2 30 30 LEU CG C 13 26.805 0.5 . . . . . C 482 LEU CG . 18582 1 507 . 2 2 30 30 LEU CD1 C 13 24.969 0.2 . . . . . C 482 LEU CD1 . 18582 1 508 . 2 2 30 30 LEU CD2 C 13 22.837 0.2 . . . . . C 482 LEU CD2 . 18582 1 509 . 2 2 30 30 LEU N N 15 117.030 0.3 . . . . . C 482 LEU N . 18582 1 510 . 2 2 31 31 THR H H 1 8.870 0.05 . . . . . C 483 THR H . 18582 1 511 . 2 2 31 31 THR HA H 1 3.903 0.05 . . . . . C 483 THR HA . 18582 1 512 . 2 2 31 31 THR HB H 1 4.095 0.05 . . . . . C 483 THR HB . 18582 1 513 . 2 2 31 31 THR HG21 H 1 1.213 0.05 . . . . . C 483 THR HG21 . 18582 1 514 . 2 2 31 31 THR HG22 H 1 1.213 0.05 . . . . . C 483 THR HG22 . 18582 1 515 . 2 2 31 31 THR HG23 H 1 1.213 0.05 . . . . . C 483 THR HG23 . 18582 1 516 . 2 2 31 31 THR C C 13 175.360 0.5 . . . . . C 483 THR C . 18582 1 517 . 2 2 31 31 THR CA C 13 63.125 0.5 . . . . . C 483 THR CA . 18582 1 518 . 2 2 31 31 THR CB C 13 69.738 0.5 . . . . . C 483 THR CB . 18582 1 519 . 2 2 31 31 THR CG2 C 13 21.991 0.5 . . . . . C 483 THR CG2 . 18582 1 520 . 2 2 31 31 THR N N 15 110.740 0.3 . . . . . C 483 THR N . 18582 1 521 . 2 2 32 32 ARG H H 1 9.030 0.05 . . . . . C 484 ARG H . 18582 1 522 . 2 2 32 32 ARG HA H 1 3.583 0.05 . . . . . C 484 ARG HA . 18582 1 523 . 2 2 32 32 ARG HB2 H 1 1.934 0.05 . . . . . C 484 ARG HB2 . 18582 1 524 . 2 2 32 32 ARG HB3 H 1 1.934 0.05 . . . . . C 484 ARG HB3 . 18582 1 525 . 2 2 32 32 ARG HG2 H 1 1.425 0.05 . . . . . C 484 ARG HG2 . 18582 1 526 . 2 2 32 32 ARG HG3 H 1 1.509 0.05 . . . . . C 484 ARG HG3 . 18582 1 527 . 2 2 32 32 ARG HD2 H 1 3.187 0.05 . . . . . C 484 ARG HD2 . 18582 1 528 . 2 2 32 32 ARG HD3 H 1 3.187 0.05 . . . . . C 484 ARG HD3 . 18582 1 529 . 2 2 32 32 ARG C C 13 175.526 0.5 . . . . . C 484 ARG C . 18582 1 530 . 2 2 32 32 ARG CA C 13 56.056 0.5 . . . . . C 484 ARG CA . 18582 1 531 . 2 2 32 32 ARG CB C 13 27.295 0.5 . . . . . C 484 ARG CB . 18582 1 532 . 2 2 32 32 ARG CG C 13 27.218 0.5 . . . . . C 484 ARG CG . 18582 1 533 . 2 2 32 32 ARG CD C 13 42.966 0.5 . . . . . C 484 ARG CD . 18582 1 534 . 2 2 32 32 ARG N N 15 117.784 0.3 . . . . . C 484 ARG N . 18582 1 535 . 2 2 33 33 SER H H 1 7.971 0.05 . . . . . C 485 SER H . 18582 1 536 . 2 2 33 33 SER HA H 1 4.739 0.05 . . . . . C 485 SER HA . 18582 1 537 . 2 2 33 33 SER HB2 H 1 3.787 0.05 . . . . . C 485 SER HB2 . 18582 1 538 . 2 2 33 33 SER HB3 H 1 3.298 0.05 . . . . . C 485 SER HB3 . 18582 1 539 . 2 2 33 33 SER C C 13 174.306 0.5 . . . . . C 485 SER C . 18582 1 540 . 2 2 33 33 SER CA C 13 56.313 0.5 . . . . . C 485 SER CA . 18582 1 541 . 2 2 33 33 SER CB C 13 64.380 0.5 . . . . . C 485 SER CB . 18582 1 542 . 2 2 33 33 SER N N 15 110.880 0.3 . . . . . C 485 SER N . 18582 1 543 . 2 2 34 34 VAL H H 1 9.060 0.05 . . . . . C 486 VAL H . 18582 1 544 . 2 2 34 34 VAL HA H 1 3.498 0.05 . . . . . C 486 VAL HA . 18582 1 545 . 2 2 34 34 VAL HB H 1 1.930 0.05 . . . . . C 486 VAL HB . 18582 1 546 . 2 2 34 34 VAL HG11 H 1 1.048 0.05 . . . . . C 486 VAL HG11 . 18582 1 547 . 2 2 34 34 VAL HG12 H 1 1.048 0.05 . . . . . C 486 VAL HG12 . 18582 1 548 . 2 2 34 34 VAL HG13 H 1 1.048 0.05 . . . . . C 486 VAL HG13 . 18582 1 549 . 2 2 34 34 VAL HG21 H 1 0.807 0.05 . . . . . C 486 VAL HG21 . 18582 1 550 . 2 2 34 34 VAL HG22 H 1 0.807 0.05 . . . . . C 486 VAL HG22 . 18582 1 551 . 2 2 34 34 VAL HG23 H 1 0.807 0.05 . . . . . C 486 VAL HG23 . 18582 1 552 . 2 2 34 34 VAL C C 13 178.550 0.5 . . . . . C 486 VAL C . 18582 1 553 . 2 2 34 34 VAL CA C 13 66.214 0.5 . . . . . C 486 VAL CA . 18582 1 554 . 2 2 34 34 VAL CB C 13 31.904 0.5 . . . . . C 486 VAL CB . 18582 1 555 . 2 2 34 34 VAL CG1 C 13 22.477 0.3 . . . . . C 486 VAL CG1 . 18582 1 556 . 2 2 34 34 VAL CG2 C 13 21.297 0.3 . . . . . C 486 VAL CG2 . 18582 1 557 . 2 2 34 34 VAL N N 15 129.980 0.3 . . . . . C 486 VAL N . 18582 1 558 . 2 2 35 35 GLU H H 1 9.270 0.05 . . . . . C 487 GLU H . 18582 1 559 . 2 2 35 35 GLU HA H 1 4.001 0.05 . . . . . C 487 GLU HA . 18582 1 560 . 2 2 35 35 GLU HB2 H 1 1.924 0.05 . . . . . C 487 GLU HB2 . 18582 1 561 . 2 2 35 35 GLU HB3 H 1 1.924 0.05 . . . . . C 487 GLU HB3 . 18582 1 562 . 2 2 35 35 GLU HG2 H 1 2.297 0.05 . . . . . C 487 GLU HG2 . 18582 1 563 . 2 2 35 35 GLU HG3 H 1 2.297 0.05 . . . . . C 487 GLU HG3 . 18582 1 564 . 2 2 35 35 GLU C C 13 178.556 0.5 . . . . . C 487 GLU C . 18582 1 565 . 2 2 35 35 GLU CA C 13 60.820 0.5 . . . . . C 487 GLU CA . 18582 1 566 . 2 2 35 35 GLU CB C 13 29.583 0.5 . . . . . C 487 GLU CB . 18582 1 567 . 2 2 35 35 GLU CG C 13 36.785 0.5 . . . . . C 487 GLU CG . 18582 1 568 . 2 2 35 35 GLU N N 15 123.360 0.3 . . . . . C 487 GLU N . 18582 1 569 . 2 2 36 36 ILE H H 1 7.980 0.05 . . . . . C 488 ILE H . 18582 1 570 . 2 2 36 36 ILE HA H 1 4.128 0.05 . . . . . C 488 ILE HA . 18582 1 571 . 2 2 36 36 ILE HB H 1 1.556 0.05 . . . . . C 488 ILE HB . 18582 1 572 . 2 2 36 36 ILE HG12 H 1 1.146 0.05 . . . . . C 488 ILE HG12 . 18582 1 573 . 2 2 36 36 ILE HG13 H 1 1.146 0.05 . . . . . C 488 ILE HG13 . 18582 1 574 . 2 2 36 36 ILE HG21 H 1 0.937 0.05 . . . . . C 488 ILE HG21 . 18582 1 575 . 2 2 36 36 ILE HG22 H 1 0.937 0.05 . . . . . C 488 ILE HG22 . 18582 1 576 . 2 2 36 36 ILE HG23 H 1 0.937 0.05 . . . . . C 488 ILE HG23 . 18582 1 577 . 2 2 36 36 ILE HD11 H 1 0.742 0.05 . . . . . C 488 ILE HD11 . 18582 1 578 . 2 2 36 36 ILE HD12 H 1 0.742 0.05 . . . . . C 488 ILE HD12 . 18582 1 579 . 2 2 36 36 ILE HD13 H 1 0.742 0.05 . . . . . C 488 ILE HD13 . 18582 1 580 . 2 2 36 36 ILE C C 13 178.629 0.5 . . . . . C 488 ILE C . 18582 1 581 . 2 2 36 36 ILE CA C 13 64.200 0.5 . . . . . C 488 ILE CA . 18582 1 582 . 2 2 36 36 ILE CB C 13 38.499 0.5 . . . . . C 488 ILE CB . 18582 1 583 . 2 2 36 36 ILE CG1 C 13 28.33 0.5 . . . . . C 488 ILE CG1 . 18582 1 584 . 2 2 36 36 ILE CG2 C 13 17.729 0.5 . . . . . C 488 ILE CG2 . 18582 1 585 . 2 2 36 36 ILE CD1 C 13 12.338 0.3 . . . . . C 488 ILE CD1 . 18582 1 586 . 2 2 36 36 ILE N N 15 119.880 0.3 . . . . . C 488 ILE N . 18582 1 587 . 2 2 37 37 THR H H 1 8.250 0.05 . . . . . C 489 THR H . 18582 1 588 . 2 2 37 37 THR HA H 1 4.192 0.05 . . . . . C 489 THR HA . 18582 1 589 . 2 2 37 37 THR HB H 1 3.877 0.05 . . . . . C 489 THR HB . 18582 1 590 . 2 2 37 37 THR HG21 H 1 0.888 0.05 . . . . . C 489 THR HG21 . 18582 1 591 . 2 2 37 37 THR HG22 H 1 0.888 0.05 . . . . . C 489 THR HG22 . 18582 1 592 . 2 2 37 37 THR HG23 H 1 0.888 0.05 . . . . . C 489 THR HG23 . 18582 1 593 . 2 2 37 37 THR C C 13 176.011 0.5 . . . . . C 489 THR C . 18582 1 594 . 2 2 37 37 THR CA C 13 68.233 0.5 . . . . . C 489 THR CA . 18582 1 595 . 2 2 37 37 THR CB C 13 68.880 0.5 . . . . . C 489 THR CB . 18582 1 596 . 2 2 37 37 THR CG2 C 13 18.900 0.5 . . . . . C 489 THR CG2 . 18582 1 597 . 2 2 37 37 THR N N 15 118.020 0.3 . . . . . C 489 THR N . 18582 1 598 . 2 2 38 38 THR H H 1 8.350 0.05 . . . . . C 490 THR H . 18582 1 599 . 2 2 38 38 THR HA H 1 3.589 0.05 . . . . . C 490 THR HA . 18582 1 600 . 2 2 38 38 THR HB H 1 4.353 0.05 . . . . . C 490 THR HB . 18582 1 601 . 2 2 38 38 THR HG21 H 1 1.315 0.05 . . . . . C 490 THR HG21 . 18582 1 602 . 2 2 38 38 THR HG22 H 1 1.315 0.05 . . . . . C 490 THR HG22 . 18582 1 603 . 2 2 38 38 THR HG23 H 1 1.315 0.05 . . . . . C 490 THR HG23 . 18582 1 604 . 2 2 38 38 THR C C 13 175.245 0.5 . . . . . C 490 THR C . 18582 1 605 . 2 2 38 38 THR CA C 13 68.808 0.5 . . . . . C 490 THR CA . 18582 1 606 . 2 2 38 38 THR CB C 13 67.975 0.5 . . . . . C 490 THR CB . 18582 1 607 . 2 2 38 38 THR CG2 C 13 20.798 0.5 . . . . . C 490 THR CG2 . 18582 1 608 . 2 2 38 38 THR N N 15 117.400 0.3 . . . . . C 490 THR N . 18582 1 609 . 2 2 39 39 ASP H H 1 7.490 0.05 . . . . . C 491 ASP H . 18582 1 610 . 2 2 39 39 ASP HA H 1 4.365 0.05 . . . . . C 491 ASP HA . 18582 1 611 . 2 2 39 39 ASP HB2 H 1 2.708 0.05 . . . . . C 491 ASP HB2 . 18582 1 612 . 2 2 39 39 ASP HB3 H 1 2.559 0.05 . . . . . C 491 ASP HB3 . 18582 1 613 . 2 2 39 39 ASP C C 13 177.345 0.5 . . . . . C 491 ASP C . 18582 1 614 . 2 2 39 39 ASP CA C 13 58.101 0.5 . . . . . C 491 ASP CA . 18582 1 615 . 2 2 39 39 ASP CB C 13 40.605 0.5 . . . . . C 491 ASP CB . 18582 1 616 . 2 2 39 39 ASP N N 15 122.260 0.3 . . . . . C 491 ASP N . 18582 1 617 . 2 2 40 40 ASN H H 1 8.490 0.05 . . . . . C 492 ASN H . 18582 1 618 . 2 2 40 40 ASN HA H 1 4.200 0.05 . . . . . C 492 ASN HA . 18582 1 619 . 2 2 40 40 ASN HB2 H 1 3.187 0.05 . . . . . C 492 ASN HB2 . 18582 1 620 . 2 2 40 40 ASN HB3 H 1 2.528 0.05 . . . . . C 492 ASN HB3 . 18582 1 621 . 2 2 40 40 ASN HD21 H 1 9.603 0.05 . . . . . C 492 ASN HD21 . 18582 1 622 . 2 2 40 40 ASN HD22 H 1 6.422 0.05 . . . . . C 492 ASN HD22 . 18582 1 623 . 2 2 40 40 ASN C C 13 177.809 0.5 . . . . . C 492 ASN C . 18582 1 624 . 2 2 40 40 ASN CA C 13 55.179 0.5 . . . . . C 492 ASN CA . 18582 1 625 . 2 2 40 40 ASN CB C 13 36.729 0.5 . . . . . C 492 ASN CB . 18582 1 626 . 2 2 40 40 ASN N N 15 116.340 0.3 . . . . . C 492 ASN N . 18582 1 627 . 2 2 40 40 ASN ND2 N 15 116.410 0.3 . . . . . C 492 ASN ND2 . 18582 1 628 . 2 2 41 41 ILE H H 1 8.000 0.05 . . . . . C 493 ILE H . 18582 1 629 . 2 2 41 41 ILE HA H 1 3.495 0.05 . . . . . C 493 ILE HA . 18582 1 630 . 2 2 41 41 ILE HB H 1 1.431 0.05 . . . . . C 493 ILE HB . 18582 1 631 . 2 2 41 41 ILE HG12 H 1 0.355 0.05 . . . . . C 493 ILE HG12 . 18582 1 632 . 2 2 41 41 ILE HG13 H 1 0.355 0.05 . . . . . C 493 ILE HG13 . 18582 1 633 . 2 2 41 41 ILE HG21 H 1 0.038 0.05 . . . . . C 493 ILE HG21 . 18582 1 634 . 2 2 41 41 ILE HG22 H 1 0.038 0.05 . . . . . C 493 ILE HG22 . 18582 1 635 . 2 2 41 41 ILE HG23 H 1 0.038 0.05 . . . . . C 493 ILE HG23 . 18582 1 636 . 2 2 41 41 ILE HD11 H 1 0.327 0.05 . . . . . C 493 ILE HD11 . 18582 1 637 . 2 2 41 41 ILE HD12 H 1 0.327 0.05 . . . . . C 493 ILE HD12 . 18582 1 638 . 2 2 41 41 ILE HD13 H 1 0.327 0.05 . . . . . C 493 ILE HD13 . 18582 1 639 . 2 2 41 41 ILE C C 13 179.814 0.5 . . . . . C 493 ILE C . 18582 1 640 . 2 2 41 41 ILE CA C 13 65.314 0.5 . . . . . C 493 ILE CA . 18582 1 641 . 2 2 41 41 ILE CB C 13 38.243 0.5 . . . . . C 493 ILE CB . 18582 1 642 . 2 2 41 41 ILE CG1 C 13 30.157 0.5 . . . . . C 493 ILE CG1 . 18582 1 643 . 2 2 41 41 ILE CG2 C 13 16.479 0.5 . . . . . C 493 ILE CG2 . 18582 1 644 . 2 2 41 41 ILE CD1 C 13 14.880 0.2 . . . . . C 493 ILE CD1 . 18582 1 645 . 2 2 41 41 ILE N N 15 121.110 0.3 . . . . . C 493 ILE N . 18582 1 646 . 2 2 42 42 LEU H H 1 8.410 0.05 . . . . . C 494 LEU H . 18582 1 647 . 2 2 42 42 LEU HA H 1 3.877 0.05 . . . . . C 494 LEU HA . 18582 1 648 . 2 2 42 42 LEU HB2 H 1 1.965 0.05 . . . . . C 494 LEU HB2 . 18582 1 649 . 2 2 42 42 LEU HB3 H 1 1.463 0.05 . . . . . C 494 LEU HB3 . 18582 1 650 . 2 2 42 42 LEU HG H 1 0.951 0.05 . . . . . C 494 LEU HG . 18582 1 651 . 2 2 42 42 LEU HD11 H 1 0.959 0.05 . . . . . C 494 LEU HD11 . 18582 1 652 . 2 2 42 42 LEU HD12 H 1 0.959 0.05 . . . . . C 494 LEU HD12 . 18582 1 653 . 2 2 42 42 LEU HD13 H 1 0.959 0.05 . . . . . C 494 LEU HD13 . 18582 1 654 . 2 2 42 42 LEU HD21 H 1 0.996 0.05 . . . . . C 494 LEU HD21 . 18582 1 655 . 2 2 42 42 LEU HD22 H 1 0.996 0.05 . . . . . C 494 LEU HD22 . 18582 1 656 . 2 2 42 42 LEU HD23 H 1 0.996 0.05 . . . . . C 494 LEU HD23 . 18582 1 657 . 2 2 42 42 LEU C C 13 179.379 0.5 . . . . . C 494 LEU C . 18582 1 658 . 2 2 42 42 LEU CA C 13 58.176 0.5 . . . . . C 494 LEU CA . 18582 1 659 . 2 2 42 42 LEU CB C 13 42.378 0.5 . . . . . C 494 LEU CB . 18582 1 660 . 2 2 42 42 LEU CG C 13 25.748 0.5 . . . . . C 494 LEU CG . 18582 1 661 . 2 2 42 42 LEU CD1 C 13 26.093 0.2 . . . . . C 494 LEU CD1 . 18582 1 662 . 2 2 42 42 LEU CD2 C 13 23.250 0.2 . . . . . C 494 LEU CD2 . 18582 1 663 . 2 2 42 42 LEU N N 15 121.930 0.3 . . . . . C 494 LEU N . 18582 1 664 . 2 2 43 43 GLU H H 1 8.370 0.05 . . . . . C 495 GLU H . 18582 1 665 . 2 2 43 43 GLU HA H 1 4.237 0.05 . . . . . C 495 GLU HA . 18582 1 666 . 2 2 43 43 GLU HB2 H 1 1.774 0.05 . . . . . C 495 GLU HB2 . 18582 1 667 . 2 2 43 43 GLU HB3 H 1 1.875 0.05 . . . . . C 495 GLU HB3 . 18582 1 668 . 2 2 43 43 GLU HG2 H 1 2.205 0.05 . . . . . C 495 GLU HG2 . 18582 1 669 . 2 2 43 43 GLU HG3 H 1 2.362 0.05 . . . . . C 495 GLU HG3 . 18582 1 670 . 2 2 43 43 GLU C C 13 176.931 0.5 . . . . . C 495 GLU C . 18582 1 671 . 2 2 43 43 GLU CA C 13 54.966 0.5 . . . . . C 495 GLU CA . 18582 1 672 . 2 2 43 43 GLU CB C 13 29.825 0.5 . . . . . C 495 GLU CB . 18582 1 673 . 2 2 43 43 GLU CG C 13 36.573 0.5 . . . . . C 495 GLU CG . 18582 1 674 . 2 2 43 43 GLU N N 15 114.530 0.3 . . . . . C 495 GLU N . 18582 1 675 . 2 2 44 44 GLY H H 1 7.630 0.05 . . . . . C 496 GLY H . 18582 1 676 . 2 2 44 44 GLY HA2 H 1 3.931 0.05 . . . . . C 496 GLY HA2 . 18582 1 677 . 2 2 44 44 GLY HA3 H 1 3.841 0.05 . . . . . C 496 GLY HA3 . 18582 1 678 . 2 2 44 44 GLY C C 13 175.230 0.5 . . . . . C 496 GLY C . 18582 1 679 . 2 2 44 44 GLY CA C 13 46.524 0.5 . . . . . C 496 GLY CA . 18582 1 680 . 2 2 44 44 GLY N N 15 107.200 0.3 . . . . . C 496 GLY N . 18582 1 681 . 2 2 45 45 ARG H H 1 8.300 0.05 . . . . . C 497 ARG H . 18582 1 682 . 2 2 45 45 ARG HA H 1 4.099 0.05 . . . . . C 497 ARG HA . 18582 1 683 . 2 2 45 45 ARG HB2 H 1 1.774 0.05 . . . . . C 497 ARG HB2 . 18582 1 684 . 2 2 45 45 ARG HB3 H 1 1.774 0.05 . . . . . C 497 ARG HB3 . 18582 1 685 . 2 2 45 45 ARG HG2 H 1 1.412 0.05 . . . . . C 497 ARG HG2 . 18582 1 686 . 2 2 45 45 ARG HG3 H 1 1.412 0.05 . . . . . C 497 ARG HG3 . 18582 1 687 . 2 2 45 45 ARG HD2 H 1 3.124 0.05 . . . . . C 497 ARG HD2 . 18582 1 688 . 2 2 45 45 ARG HD3 H 1 3.124 0.05 . . . . . C 497 ARG HD3 . 18582 1 689 . 2 2 45 45 ARG C C 13 176.887 0.5 . . . . . C 497 ARG C . 18582 1 690 . 2 2 45 45 ARG CA C 13 57.709 0.5 . . . . . C 497 ARG CA . 18582 1 691 . 2 2 45 45 ARG CB C 13 29.825 0.5 . . . . . C 497 ARG CB . 18582 1 692 . 2 2 45 45 ARG CG C 13 29.604 0.5 . . . . . C 497 ARG CG . 18582 1 693 . 2 2 45 45 ARG CD C 13 43.002 0.5 . . . . . C 497 ARG CD . 18582 1 694 . 2 2 45 45 ARG N N 15 116.830 0.3 . . . . . C 497 ARG N . 18582 1 695 . 2 2 46 46 ILE H H 1 7.130 0.05 . . . . . C 498 ILE H . 18582 1 696 . 2 2 46 46 ILE HA H 1 4.025 0.05 . . . . . C 498 ILE HA . 18582 1 697 . 2 2 46 46 ILE HB H 1 1.431 0.05 . . . . . C 498 ILE HB . 18582 1 698 . 2 2 46 46 ILE HG12 H 1 1.154 0.05 . . . . . C 498 ILE HG12 . 18582 1 699 . 2 2 46 46 ILE HG13 H 1 1.154 0.05 . . . . . C 498 ILE HG13 . 18582 1 700 . 2 2 46 46 ILE HG21 H 1 0.832 0.05 . . . . . C 498 ILE HG21 . 18582 1 701 . 2 2 46 46 ILE HG22 H 1 0.832 0.05 . . . . . C 498 ILE HG22 . 18582 1 702 . 2 2 46 46 ILE HG23 H 1 0.832 0.05 . . . . . C 498 ILE HG23 . 18582 1 703 . 2 2 46 46 ILE HD11 H 1 0.514 0.05 . . . . . C 498 ILE HD11 . 18582 1 704 . 2 2 46 46 ILE HD12 H 1 0.514 0.05 . . . . . C 498 ILE HD12 . 18582 1 705 . 2 2 46 46 ILE HD13 H 1 0.514 0.05 . . . . . C 498 ILE HD13 . 18582 1 706 . 2 2 46 46 ILE C C 13 174.577 0.5 . . . . . C 498 ILE C . 18582 1 707 . 2 2 46 46 ILE CA C 13 60.485 0.5 . . . . . C 498 ILE CA . 18582 1 708 . 2 2 46 46 ILE CB C 13 38.243 0.5 . . . . . C 498 ILE CB . 18582 1 709 . 2 2 46 46 ILE CG1 C 13 27.223 0.5 . . . . . C 498 ILE CG1 . 18582 1 710 . 2 2 46 46 ILE CG2 C 13 17.479 0.5 . . . . . C 498 ILE CG2 . 18582 1 711 . 2 2 46 46 ILE CD1 C 13 12.135 0.2 . . . . . C 498 ILE CD1 . 18582 1 712 . 2 2 46 46 ILE N N 15 117.930 0.3 . . . . . C 498 ILE N . 18582 1 713 . 2 2 47 47 GLN H H 1 8.340 0.05 . . . . . C 499 GLN H . 18582 1 714 . 2 2 47 47 GLN HA H 1 4.200 0.05 . . . . . C 499 GLN HA . 18582 1 715 . 2 2 47 47 GLN HB2 H 1 1.924 0.05 . . . . . C 499 GLN HB2 . 18582 1 716 . 2 2 47 47 GLN HB3 H 1 1.874 0.05 . . . . . C 499 GLN HB3 . 18582 1 717 . 2 2 47 47 GLN HG2 H 1 2.156 0.05 . . . . . C 499 GLN HG2 . 18582 1 718 . 2 2 47 47 GLN HG3 H 1 2.156 0.05 . . . . . C 499 GLN HG3 . 18582 1 719 . 2 2 47 47 GLN HE21 H 1 6.778 0.05 . . . . . C 499 GLN HE21 . 18582 1 720 . 2 2 47 47 GLN HE22 H 1 7.478 0.05 . . . . . C 499 GLN HE22 . 18582 1 721 . 2 2 47 47 GLN C C 13 174.797 0.5 . . . . . C 499 GLN C . 18582 1 722 . 2 2 47 47 GLN CA C 13 55.179 0.5 . . . . . C 499 GLN CA . 18582 1 723 . 2 2 47 47 GLN CB C 13 29.583 0.5 . . . . . C 499 GLN CB . 18582 1 724 . 2 2 47 47 GLN CG C 13 33.779 0.5 . . . . . C 499 GLN CG . 18582 1 725 . 2 2 47 47 GLN N N 15 125.410 0.3 . . . . . C 499 GLN N . 18582 1 726 . 2 2 47 47 GLN NE2 N 15 112.485 0.3 . . . . . C 499 GLN NE2 . 18582 1 727 . 2 2 48 48 VAL H H 1 8.180 0.05 . . . . . C 500 VAL H . 18582 1 728 . 2 2 48 48 VAL HA H 1 4.181 0.05 . . . . . C 500 VAL HA . 18582 1 729 . 2 2 48 48 VAL HB H 1 1.999 0.05 . . . . . C 500 VAL HB . 18582 1 730 . 2 2 48 48 VAL HG11 H 1 0.796 0.05 . . . . . C 500 VAL HG11 . 18582 1 731 . 2 2 48 48 VAL HG12 H 1 0.796 0.05 . . . . . C 500 VAL HG12 . 18582 1 732 . 2 2 48 48 VAL HG13 H 1 0.796 0.05 . . . . . C 500 VAL HG13 . 18582 1 733 . 2 2 48 48 VAL HG21 H 1 0.833 0.05 . . . . . C 500 VAL HG21 . 18582 1 734 . 2 2 48 48 VAL HG22 H 1 0.833 0.05 . . . . . C 500 VAL HG22 . 18582 1 735 . 2 2 48 48 VAL HG23 H 1 0.833 0.05 . . . . . C 500 VAL HG23 . 18582 1 736 . 2 2 48 48 VAL CA C 13 59.913 0.5 . . . . . C 500 VAL CA . 18582 1 737 . 2 2 48 48 VAL CB C 13 32.184 0.5 . . . . . C 500 VAL CB . 18582 1 738 . 2 2 48 48 VAL CG1 C 13 22.475 0.3 . . . . . C 500 VAL CG1 . 18582 1 739 . 2 2 48 48 VAL CG2 C 13 20.705 0.3 . . . . . C 500 VAL CG2 . 18582 1 740 . 2 2 48 48 VAL N N 15 122.810 0.3 . . . . . C 500 VAL N . 18582 1 741 . 2 2 49 49 PRO HA H 1 4.310 0.05 . . . . . C 501 PRO HA . 18582 1 742 . 2 2 49 49 PRO HB2 H 1 2.124 0.05 . . . . . C 501 PRO HB2 . 18582 1 743 . 2 2 49 49 PRO HB3 H 1 2.124 0.05 . . . . . C 501 PRO HB3 . 18582 1 744 . 2 2 49 49 PRO HG2 H 1 1.860 0.05 . . . . . C 501 PRO HG2 . 18582 1 745 . 2 2 49 49 PRO HG3 H 1 1.860 0.05 . . . . . C 501 PRO HG3 . 18582 1 746 . 2 2 49 49 PRO HD2 H 1 3.730 0.05 . . . . . C 501 PRO HD2 . 18582 1 747 . 2 2 49 49 PRO HD3 H 1 3.567 0.05 . . . . . C 501 PRO HD3 . 18582 1 748 . 2 2 49 49 PRO C C 13 176.070 0.5 . . . . . C 501 PRO C . 18582 1 749 . 2 2 49 49 PRO CA C 13 63.024 0.5 . . . . . C 501 PRO CA . 18582 1 750 . 2 2 49 49 PRO CB C 13 31.733 0.5 . . . . . C 501 PRO CB . 18582 1 751 . 2 2 49 49 PRO CG C 13 27.080 0.5 . . . . . C 501 PRO CG . 18582 1 752 . 2 2 49 49 PRO CD C 13 50.612 0.5 . . . . . C 501 PRO CD . 18582 1 753 . 2 2 50 50 PHE H H 1 8.115 0.05 . . . . . C 502 PHE H . 18582 1 754 . 2 2 50 50 PHE HA H 1 4.797 0.05 . . . . . C 502 PHE HA . 18582 1 755 . 2 2 50 50 PHE HB2 H 1 3.109 0.05 . . . . . C 502 PHE HB2 . 18582 1 756 . 2 2 50 50 PHE HB3 H 1 2.925 0.05 . . . . . C 502 PHE HB3 . 18582 1 757 . 2 2 50 50 PHE HD1 H 1 7.286 0.05 . . . . . C 502 PHE HD1 . 18582 1 758 . 2 2 50 50 PHE HD2 H 1 7.286 0.05 . . . . . C 502 PHE HD2 . 18582 1 759 . 2 2 50 50 PHE HE1 H 1 7.273 0.05 . . . . . C 502 PHE HE1 . 18582 1 760 . 2 2 50 50 PHE HE2 H 1 7.273 0.05 . . . . . C 502 PHE HE2 . 18582 1 761 . 2 2 50 50 PHE HZ H 1 7.146 0.05 . . . . . C 502 PHE HZ . 18582 1 762 . 2 2 50 50 PHE C C 13 176.178 0.5 . . . . . C 502 PHE C . 18582 1 763 . 2 2 50 50 PHE CA C 13 55.344 0.5 . . . . . C 502 PHE CA . 18582 1 764 . 2 2 50 50 PHE CB C 13 38.861 0.5 . . . . . C 502 PHE CB . 18582 1 765 . 2 2 50 50 PHE CD1 C 13 133.062 0.5 . . . . . C 502 PHE CD1 . 18582 1 766 . 2 2 50 50 PHE CD2 C 13 133.062 0.5 . . . . . C 502 PHE CD2 . 18582 1 767 . 2 2 50 50 PHE CE1 C 13 130.675 0.5 . . . . . C 502 PHE CE1 . 18582 1 768 . 2 2 50 50 PHE CE2 C 13 130.675 0.5 . . . . . C 502 PHE CE2 . 18582 1 769 . 2 2 50 50 PHE CZ C 13 129.046 0.5 . . . . . C 502 PHE CZ . 18582 1 770 . 2 2 50 50 PHE N N 15 121.190 0.3 . . . . . C 502 PHE N . 18582 1 771 . 2 2 51 51 PRO HA H 1 4.421 0.05 . . . . . C 503 PRO HA . 18582 1 772 . 2 2 51 51 PRO HB2 H 1 2.199 0.05 . . . . . C 503 PRO HB2 . 18582 1 773 . 2 2 51 51 PRO HB3 H 1 2.199 0.05 . . . . . C 503 PRO HB3 . 18582 1 774 . 2 2 51 51 PRO HG2 H 1 1.984 0.05 . . . . . C 503 PRO HG2 . 18582 1 775 . 2 2 51 51 PRO HG3 H 1 1.984 0.05 . . . . . C 503 PRO HG3 . 18582 1 776 . 2 2 51 51 PRO HD2 H 1 3.706 0.05 . . . . . C 503 PRO HD2 . 18582 1 777 . 2 2 51 51 PRO HD3 H 1 3.408 0.05 . . . . . C 503 PRO HD3 . 18582 1 778 . 2 2 51 51 PRO C C 13 176.178 0.5 . . . . . C 503 PRO C . 18582 1 779 . 2 2 51 51 PRO CA C 13 63.457 0.5 . . . . . C 503 PRO CA . 18582 1 780 . 2 2 51 51 PRO CB C 13 31.749 0.5 . . . . . C 503 PRO CB . 18582 1 781 . 2 2 51 51 PRO CG C 13 27.082 0.5 . . . . . C 503 PRO CG . 18582 1 782 . 2 2 51 51 PRO CD C 13 50.663 0.5 . . . . . C 503 PRO CD . 18582 1 783 . 2 2 52 52 THR H H 1 7.790 0.05 . . . . . C 504 THR H . 18582 1 784 . 2 2 52 52 THR HA H 1 4.114 0.05 . . . . . C 504 THR HA . 18582 1 785 . 2 2 52 52 THR HB H 1 4.208 0.05 . . . . . C 504 THR HB . 18582 1 786 . 2 2 52 52 THR HG21 H 1 1.160 0.05 . . . . . C 504 THR HG21 . 18582 1 787 . 2 2 52 52 THR HG22 H 1 1.160 0.05 . . . . . C 504 THR HG22 . 18582 1 788 . 2 2 52 52 THR HG23 H 1 1.160 0.05 . . . . . C 504 THR HG23 . 18582 1 789 . 2 2 52 52 THR CA C 13 63.051 0.5 . . . . . C 504 THR CA . 18582 1 790 . 2 2 52 52 THR CB C 13 70.907 0.5 . . . . . C 504 THR CB . 18582 1 791 . 2 2 52 52 THR CG2 C 13 22.091 0.5 . . . . . C 504 THR CG2 . 18582 1 792 . 2 2 52 52 THR N N 15 119.528 0.3 . . . . . C 504 THR N . 18582 1 stop_ save_