################################### # 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 18049 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18049 1 2 '3D 1H-15N NOESY' . . . 18049 1 3 '3D 1H-13C NOESY aliphatic' . . . 18049 1 4 '3D HNCACB' . . . 18049 1 5 '3D CBCA(CO)NH' . . . 18049 1 6 '3D HNHA' . . . 18049 1 7 '3D HNCA' . . . 18049 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 3 3 ALA H H 1 8.182 0.020 . 1 . . . A 3 ALA H . 18049 1 2 . 1 1 3 3 ALA HA H 1 4.195 0.020 . 1 . . . A 3 ALA HA . 18049 1 3 . 1 1 3 3 ALA HB1 H 1 1.258 0.020 . . . . . A 3 ALA HB1 . 18049 1 4 . 1 1 3 3 ALA HB2 H 1 1.258 0.020 . . . . . A 3 ALA HB2 . 18049 1 5 . 1 1 3 3 ALA HB3 H 1 1.258 0.020 . . . . . A 3 ALA HB3 . 18049 1 6 . 1 1 3 3 ALA CA C 13 49.578 0.400 . 1 . . . A 3 ALA CA . 18049 1 7 . 1 1 3 3 ALA CB C 13 16.811 0.400 . 1 . . . A 3 ALA CB . 18049 1 8 . 1 1 3 3 ALA N N 15 125.353 0.400 . 1 . . . A 3 ALA N . 18049 1 9 . 1 1 4 4 ALA H H 1 8.151 0.020 . 1 . . . A 4 ALA H . 18049 1 10 . 1 1 4 4 ALA HA H 1 4.460 0.020 . 1 . . . A 4 ALA HA . 18049 1 11 . 1 1 4 4 ALA HB1 H 1 1.227 0.020 . . . . . A 4 ALA HB1 . 18049 1 12 . 1 1 4 4 ALA HB2 H 1 1.227 0.020 . . . . . A 4 ALA HB2 . 18049 1 13 . 1 1 4 4 ALA HB3 H 1 1.227 0.020 . . . . . A 4 ALA HB3 . 18049 1 14 . 1 1 4 4 ALA CA C 13 47.760 0.400 . 1 . . . A 4 ALA CA . 18049 1 15 . 1 1 4 4 ALA CB C 13 15.798 0.400 . 1 . . . A 4 ALA CB . 18049 1 16 . 1 1 4 4 ALA N N 15 124.707 0.400 . 1 . . . A 4 ALA N . 18049 1 17 . 1 1 5 5 PRO HA H 1 4.470 0.020 . 1 . . . A 5 PRO HA . 18049 1 18 . 1 1 5 5 PRO HB2 H 1 1.490 0.020 . 2 . . . A 5 PRO HB2 . 18049 1 19 . 1 1 5 5 PRO HB3 H 1 2.083 0.020 . 2 . . . A 5 PRO HB3 . 18049 1 20 . 1 1 5 5 PRO HG2 H 1 1.620 0.020 . 2 . . . A 5 PRO HG2 . 18049 1 21 . 1 1 5 5 PRO HG3 H 1 1.890 0.020 . 2 . . . A 5 PRO HG3 . 18049 1 22 . 1 1 5 5 PRO HD2 H 1 3.431 0.020 . 2 . . . A 5 PRO HD2 . 18049 1 23 . 1 1 5 5 PRO HD3 H 1 3.622 0.020 . 2 . . . A 5 PRO HD3 . 18049 1 24 . 1 1 5 5 PRO CA C 13 59.320 0.400 . 1 . . . A 5 PRO CA . 18049 1 25 . 1 1 5 5 PRO CB C 13 29.800 0.400 . 1 . . . A 5 PRO CB . 18049 1 26 . 1 1 5 5 PRO CG C 13 24.480 0.400 . 1 . . . A 5 PRO CG . 18049 1 27 . 1 1 5 5 PRO CD C 13 47.840 0.400 . 1 . . . A 5 PRO CD . 18049 1 28 . 1 1 6 6 LYS H H 1 8.230 0.020 . 1 . . . A 6 LYS H . 18049 1 29 . 1 1 6 6 LYS HA H 1 4.263 0.020 . 1 . . . A 6 LYS HA . 18049 1 30 . 1 1 6 6 LYS HB2 H 1 1.375 0.020 . 2 . . . A 6 LYS HB2 . 18049 1 31 . 1 1 6 6 LYS HB3 H 1 1.502 0.020 . 2 . . . A 6 LYS HB3 . 18049 1 32 . 1 1 6 6 LYS HG2 H 1 0.998 0.020 . 1 . . . A 6 LYS HG2 . 18049 1 33 . 1 1 6 6 LYS HG3 H 1 0.998 0.020 . 1 . . . A 6 LYS HG3 . 18049 1 34 . 1 1 6 6 LYS HD2 H 1 1.470 0.020 . 1 . . . A 6 LYS HD2 . 18049 1 35 . 1 1 6 6 LYS HD3 H 1 1.470 0.020 . 1 . . . A 6 LYS HD3 . 18049 1 36 . 1 1 6 6 LYS HE2 H 1 2.820 0.020 . 1 . . . A 6 LYS HE2 . 18049 1 37 . 1 1 6 6 LYS HE3 H 1 2.820 0.020 . 1 . . . A 6 LYS HE3 . 18049 1 38 . 1 1 6 6 LYS CA C 13 52.630 0.400 . 1 . . . A 6 LYS CA . 18049 1 39 . 1 1 6 6 LYS CB C 13 32.000 0.400 . 1 . . . A 6 LYS CB . 18049 1 40 . 1 1 6 6 LYS CG C 13 22.310 0.400 . 1 . . . A 6 LYS CG . 18049 1 41 . 1 1 6 6 LYS CD C 13 26.890 0.400 . 1 . . . A 6 LYS CD . 18049 1 42 . 1 1 6 6 LYS CE C 13 39.350 0.400 . 1 . . . A 6 LYS CE . 18049 1 43 . 1 1 6 6 LYS N N 15 121.400 0.400 . 1 . . . A 6 LYS N . 18049 1 44 . 1 1 7 7 CYS H H 1 8.354 0.020 . 1 . . . A 7 CYS H . 18049 1 45 . 1 1 7 7 CYS HA H 1 4.114 0.020 . 1 . . . A 7 CYS HA . 18049 1 46 . 1 1 7 7 CYS HB2 H 1 1.951 0.020 . 2 . . . A 7 CYS HB2 . 18049 1 47 . 1 1 7 7 CYS HB3 H 1 2.843 0.020 . 2 . . . A 7 CYS HB3 . 18049 1 48 . 1 1 7 7 CYS CA C 13 57.020 0.400 . 1 . . . A 7 CYS CA . 18049 1 49 . 1 1 7 7 CYS CB C 13 27.720 0.400 . 1 . . . A 7 CYS CB . 18049 1 50 . 1 1 7 7 CYS N N 15 128.995 0.400 . 1 . . . A 7 CYS N . 18049 1 51 . 1 1 8 8 ASN H H 1 8.659 0.020 . 1 . . . A 8 ASN H . 18049 1 52 . 1 1 8 8 ASN HA H 1 4.705 0.020 . 1 . . . A 8 ASN HA . 18049 1 53 . 1 1 8 8 ASN HB2 H 1 2.690 0.020 . 2 . . . A 8 ASN HB2 . 18049 1 54 . 1 1 8 8 ASN HB3 H 1 2.897 0.020 . 2 . . . A 8 ASN HB3 . 18049 1 55 . 1 1 8 8 ASN CA C 13 51.910 0.400 . 1 . . . A 8 ASN CA . 18049 1 56 . 1 1 8 8 ASN CB C 13 35.930 0.400 . 1 . . . A 8 ASN CB . 18049 1 57 . 1 1 8 8 ASN N N 15 127.325 0.400 . 1 . . . A 8 ASN N . 18049 1 58 . 1 1 9 9 ASN H H 1 9.861 0.020 . 1 . . . A 9 ASN H . 18049 1 59 . 1 1 9 9 ASN HA H 1 4.800 0.020 . 1 . . . A 9 ASN HA . 18049 1 60 . 1 1 9 9 ASN HB2 H 1 2.450 0.020 . 2 . . . A 9 ASN HB2 . 18049 1 61 . 1 1 9 9 ASN HB3 H 1 3.370 0.020 . 2 . . . A 9 ASN HB3 . 18049 1 62 . 1 1 9 9 ASN CA C 13 53.312 0.400 . 1 . . . A 9 ASN CA . 18049 1 63 . 1 1 9 9 ASN CB C 13 37.875 0.400 . 1 . . . A 9 ASN CB . 18049 1 64 . 1 1 9 9 ASN N N 15 122.394 0.400 . 1 . . . A 9 ASN N . 18049 1 65 . 1 1 10 10 CYS H H 1 8.814 0.020 . 1 . . . A 10 CYS H . 18049 1 66 . 1 1 10 10 CYS HA H 1 4.705 0.020 . 1 . . . A 10 CYS HA . 18049 1 67 . 1 1 10 10 CYS HB2 H 1 2.340 0.020 . 2 . . . A 10 CYS HB2 . 18049 1 68 . 1 1 10 10 CYS HB3 H 1 3.160 0.020 . 2 . . . A 10 CYS HB3 . 18049 1 69 . 1 1 10 10 CYS CA C 13 56.350 0.400 . 1 . . . A 10 CYS CA . 18049 1 70 . 1 1 10 10 CYS CB C 13 29.540 0.400 . 1 . . . A 10 CYS CB . 18049 1 71 . 1 1 10 10 CYS N N 15 117.508 0.400 . 1 . . . A 10 CYS N . 18049 1 72 . 1 1 11 11 SER H H 1 7.821 0.020 . 1 . . . A 11 SER H . 18049 1 73 . 1 1 11 11 SER HA H 1 4.150 0.020 . 1 . . . A 11 SER HA . 18049 1 74 . 1 1 11 11 SER HB2 H 1 3.939 0.020 . 2 . . . A 11 SER HB2 . 18049 1 75 . 1 1 11 11 SER HB3 H 1 4.116 0.020 . 2 . . . A 11 SER HB3 . 18049 1 76 . 1 1 11 11 SER CA C 13 58.769 0.400 . 1 . . . A 11 SER CA . 18049 1 77 . 1 1 11 11 SER CB C 13 59.635 0.400 . 1 . . . A 11 SER CB . 18049 1 78 . 1 1 11 11 SER N N 15 115.934 0.400 . 1 . . . A 11 SER N . 18049 1 79 . 1 1 12 12 GLN H H 1 8.311 0.020 . 1 . . . A 12 GLN H . 18049 1 80 . 1 1 12 12 GLN HA H 1 4.361 0.020 . 1 . . . A 12 GLN HA . 18049 1 81 . 1 1 12 12 GLN HB2 H 1 1.954 0.020 . 2 . . . A 12 GLN HB2 . 18049 1 82 . 1 1 12 12 GLN HB3 H 1 2.116 0.020 . 2 . . . A 12 GLN HB3 . 18049 1 83 . 1 1 12 12 GLN HG2 H 1 2.265 0.020 . 2 . . . A 12 GLN HG2 . 18049 1 84 . 1 1 12 12 GLN HG3 H 1 2.533 0.020 . 2 . . . A 12 GLN HG3 . 18049 1 85 . 1 1 12 12 GLN CA C 13 52.870 0.400 . 1 . . . A 12 GLN CA . 18049 1 86 . 1 1 12 12 GLN CB C 13 27.913 0.400 . 1 . . . A 12 GLN CB . 18049 1 87 . 1 1 12 12 GLN CG C 13 32.287 0.400 . 1 . . . A 12 GLN CG . 18049 1 88 . 1 1 12 12 GLN N N 15 120.325 0.400 . 1 . . . A 12 GLN N . 18049 1 89 . 1 1 13 13 ARG H H 1 8.430 0.020 . 1 . . . A 13 ARG H . 18049 1 90 . 1 1 13 13 ARG HA H 1 4.368 0.020 . 1 . . . A 13 ARG HA . 18049 1 91 . 1 1 13 13 ARG HB2 H 1 2.260 0.020 . 2 . . . A 13 ARG HB2 . 18049 1 92 . 1 1 13 13 ARG HB3 H 1 2.530 0.020 . 2 . . . A 13 ARG HB3 . 18049 1 93 . 1 1 13 13 ARG HG2 H 1 1.950 0.020 . 2 . . . A 13 ARG HG2 . 18049 1 94 . 1 1 13 13 ARG HG3 H 1 2.110 0.020 . 2 . . . A 13 ARG HG3 . 18049 1 95 . 1 1 13 13 ARG CA C 13 53.030 0.400 . 1 . . . A 13 ARG CA . 18049 1 96 . 1 1 13 13 ARG CB C 13 32.300 0.400 . 1 . . . A 13 ARG CB . 18049 1 97 . 1 1 13 13 ARG CG C 13 28.000 0.400 . 1 . . . A 13 ARG CG . 18049 1 98 . 1 1 13 13 ARG N N 15 118.657 0.400 . 1 . . . A 13 ARG N . 18049 1 99 . 1 1 14 14 GLY H H 1 8.706 0.020 . 1 . . . A 14 GLY H . 18049 1 100 . 1 1 14 14 GLY HA2 H 1 3.509 0.020 . 2 . . . A 14 GLY HA2 . 18049 1 101 . 1 1 14 14 GLY HA3 H 1 4.540 0.020 . 2 . . . A 14 GLY HA3 . 18049 1 102 . 1 1 14 14 GLY CA C 13 42.730 0.400 . 1 . . . A 14 GLY CA . 18049 1 103 . 1 1 14 14 GLY N N 15 107.015 0.400 . 1 . . . A 14 GLY N . 18049 1 104 . 1 1 15 15 HIS H H 1 6.998 0.020 . 1 . . . A 15 HIS H . 18049 1 105 . 1 1 15 15 HIS HA H 1 4.600 0.020 . 1 . . . A 15 HIS HA . 18049 1 106 . 1 1 15 15 HIS HB2 H 1 3.080 0.020 . 2 . . . A 15 HIS HB2 . 18049 1 107 . 1 1 15 15 HIS HB3 H 1 3.160 0.020 . 2 . . . A 15 HIS HB3 . 18049 1 108 . 1 1 15 15 HIS HD2 H 1 6.934 0.020 . 1 . . . A 15 HIS HD2 . 18049 1 109 . 1 1 15 15 HIS HE1 H 1 8.302 0.020 . 1 . . . A 15 HIS HE1 . 18049 1 110 . 1 1 15 15 HIS CA C 13 52.436 0.400 . 1 . . . A 15 HIS CA . 18049 1 111 . 1 1 15 15 HIS CB C 13 27.887 0.400 . 1 . . . A 15 HIS CB . 18049 1 112 . 1 1 15 15 HIS N N 15 113.397 0.400 . 1 . . . A 15 HIS N . 18049 1 113 . 1 1 16 16 LEU H H 1 8.614 0.020 . 1 . . . A 16 LEU H . 18049 1 114 . 1 1 16 16 LEU HA H 1 4.585 0.020 . 1 . . . A 16 LEU HA . 18049 1 115 . 1 1 16 16 LEU HB2 H 1 1.640 0.020 . 2 . . . A 16 LEU HB2 . 18049 1 116 . 1 1 16 16 LEU HB3 H 1 1.815 0.020 . 2 . . . A 16 LEU HB3 . 18049 1 117 . 1 1 16 16 LEU HD11 H 1 0.875 0.020 . . . . . A 16 LEU HD11 . 18049 1 118 . 1 1 16 16 LEU HD12 H 1 0.875 0.020 . . . . . A 16 LEU HD12 . 18049 1 119 . 1 1 16 16 LEU HD13 H 1 0.875 0.020 . . . . . A 16 LEU HD13 . 18049 1 120 . 1 1 16 16 LEU HD21 H 1 0.885 0.020 . . . . . A 16 LEU HD21 . 18049 1 121 . 1 1 16 16 LEU HD22 H 1 0.885 0.020 . . . . . A 16 LEU HD22 . 18049 1 122 . 1 1 16 16 LEU HD23 H 1 0.885 0.020 . . . . . A 16 LEU HD23 . 18049 1 123 . 1 1 16 16 LEU CA C 13 50.529 0.400 . 1 . . . A 16 LEU CA . 18049 1 124 . 1 1 16 16 LEU CB C 13 42.196 0.400 . 1 . . . A 16 LEU CB . 18049 1 125 . 1 1 16 16 LEU CD1 C 13 20.660 0.400 . 2 . . . A 16 LEU CD1 . 18049 1 126 . 1 1 16 16 LEU CD2 C 13 23.347 0.400 . 2 . . . A 16 LEU CD2 . 18049 1 127 . 1 1 16 16 LEU N N 15 117.239 0.400 . 1 . . . A 16 LEU N . 18049 1 128 . 1 1 17 17 LYS H H 1 8.681 0.020 . 1 . . . A 17 LYS H . 18049 1 129 . 1 1 17 17 LYS HA H 1 4.780 0.020 . 1 . . . A 17 LYS HA . 18049 1 130 . 1 1 17 17 LYS HB2 H 1 1.931 0.020 . 1 . . . A 17 LYS HB2 . 18049 1 131 . 1 1 17 17 LYS HG3 H 1 1.365 0.020 . 1 . . . A 17 LYS HG3 . 18049 1 132 . 1 1 17 17 LYS HD2 H 1 1.552 0.020 . 2 . . . A 17 LYS HD2 . 18049 1 133 . 1 1 17 17 LYS HD3 H 1 1.677 0.020 . 2 . . . A 17 LYS HD3 . 18049 1 134 . 1 1 17 17 LYS HE3 H 1 2.902 0.020 . 1 . . . A 17 LYS HE3 . 18049 1 135 . 1 1 17 17 LYS CA C 13 57.764 0.400 . 1 . . . A 17 LYS CA . 18049 1 136 . 1 1 17 17 LYS CB C 13 29.801 0.400 . 1 . . . A 17 LYS CB . 18049 1 137 . 1 1 17 17 LYS CG C 13 22.481 0.400 . 1 . . . A 17 LYS CG . 18049 1 138 . 1 1 17 17 LYS CD C 13 27.523 0.400 . 1 . . . A 17 LYS CD . 18049 1 139 . 1 1 17 17 LYS CE C 13 39.654 0.400 . 1 . . . A 17 LYS CE . 18049 1 140 . 1 1 17 17 LYS N N 15 122.561 0.400 . 1 . . . A 17 LYS N . 18049 1 141 . 1 1 18 18 LYS H H 1 8.320 0.020 . 1 . . . A 18 LYS H . 18049 1 142 . 1 1 18 18 LYS HA H 1 4.104 0.020 . 1 . . . A 18 LYS HA . 18049 1 143 . 1 1 18 18 LYS HB2 H 1 1.735 0.020 . 2 . . . A 18 LYS HB2 . 18049 1 144 . 1 1 18 18 LYS HB3 H 1 1.826 0.020 . 2 . . . A 18 LYS HB3 . 18049 1 145 . 1 1 18 18 LYS HG3 H 1 1.234 0.020 . 1 . . . A 18 LYS HG3 . 18049 1 146 . 1 1 18 18 LYS CA C 13 55.819 0.400 . 1 . . . A 18 LYS CA . 18049 1 147 . 1 1 18 18 LYS CB C 13 28.755 0.400 . 1 . . . A 18 LYS CB . 18049 1 148 . 1 1 18 18 LYS CG C 13 21.041 0.400 . 1 . . . A 18 LYS CG . 18049 1 149 . 1 1 18 18 LYS N N 15 117.626 0.400 . 1 . . . A 18 LYS N . 18049 1 150 . 1 1 19 19 ASP H H 1 7.770 0.020 . 1 . . . A 19 ASP H . 18049 1 151 . 1 1 19 19 ASP HA H 1 4.850 0.020 . 1 . . . A 19 ASP HA . 18049 1 152 . 1 1 19 19 ASP HB2 H 1 2.405 0.020 . 2 . . . A 19 ASP HB2 . 18049 1 153 . 1 1 19 19 ASP HB3 H 1 2.885 0.020 . 2 . . . A 19 ASP HB3 . 18049 1 154 . 1 1 19 19 ASP CA C 13 50.832 0.400 . 1 . . . A 19 ASP CA . 18049 1 155 . 1 1 19 19 ASP CB C 13 39.900 0.400 . 1 . . . A 19 ASP CB . 18049 1 156 . 1 1 19 19 ASP N N 15 118.071 0.400 . 1 . . . A 19 ASP N . 18049 1 157 . 1 1 20 20 CYS H H 1 7.275 0.020 . 1 . . . A 20 CYS H . 18049 1 158 . 1 1 20 20 CYS HA H 1 3.702 0.020 . 1 . . . A 20 CYS HA . 18049 1 159 . 1 1 20 20 CYS HB2 H 1 2.714 0.020 . 2 . . . A 20 CYS HB2 . 18049 1 160 . 1 1 20 20 CYS HB3 H 1 3.151 0.020 . 2 . . . A 20 CYS HB3 . 18049 1 161 . 1 1 20 20 CYS CA C 13 59.556 0.400 . 1 . . . A 20 CYS CA . 18049 1 162 . 1 1 20 20 CYS CB C 13 28.496 0.400 . 1 . . . A 20 CYS CB . 18049 1 163 . 1 1 20 20 CYS N N 15 123.265 0.400 . 1 . . . A 20 CYS N . 18049 1 164 . 1 1 21 21 PRO HD2 H 1 3.704 0.020 . 1 . . . A 21 PRO HD2 . 18049 1 165 . 1 1 21 21 PRO CA C 13 58.900 0.400 . 1 . . . A 21 PRO CA . 18049 1 166 . 1 1 21 21 PRO CB C 13 30.720 0.400 . 1 . . . A 21 PRO CB . 18049 1 167 . 1 1 22 22 HIS H H 1 7.882 0.020 . 1 . . . A 22 HIS H . 18049 1 168 . 1 1 22 22 HIS HE1 H 1 8.500 0.020 . 1 . . . A 22 HIS HE1 . 18049 1 169 . 1 1 22 22 HIS CA C 13 52.484 0.400 . 1 . . . A 22 HIS CA . 18049 1 170 . 1 1 22 22 HIS CB C 13 27.833 0.400 . 1 . . . A 22 HIS CB . 18049 1 171 . 1 1 22 22 HIS N N 15 121.576 0.400 . 1 . . . A 22 HIS N . 18049 1 172 . 1 1 23 23 ILE H H 1 8.660 0.020 . 1 . . . A 23 ILE H . 18049 1 173 . 1 1 23 23 ILE HA H 1 4.170 0.020 . 1 . . . A 23 ILE HA . 18049 1 174 . 1 1 23 23 ILE HB H 1 1.410 0.020 . 1 . . . A 23 ILE HB . 18049 1 175 . 1 1 23 23 ILE HG12 H 1 0.954 0.020 . 2 . . . A 23 ILE HG12 . 18049 1 176 . 1 1 23 23 ILE HG13 H 1 1.260 0.020 . 2 . . . A 23 ILE HG13 . 18049 1 177 . 1 1 23 23 ILE HG21 H 1 0.414 0.020 . . . . . A 23 ILE HG21 . 18049 1 178 . 1 1 23 23 ILE HG22 H 1 0.414 0.020 . . . . . A 23 ILE HG22 . 18049 1 179 . 1 1 23 23 ILE HG23 H 1 0.414 0.020 . . . . . A 23 ILE HG23 . 18049 1 180 . 1 1 23 23 ILE HD11 H 1 0.429 0.020 . . . . . A 23 ILE HD11 . 18049 1 181 . 1 1 23 23 ILE HD12 H 1 0.429 0.020 . . . . . A 23 ILE HD12 . 18049 1 182 . 1 1 23 23 ILE HD13 H 1 0.429 0.020 . . . . . A 23 ILE HD13 . 18049 1 183 . 1 1 23 23 ILE CA C 13 57.420 0.400 . 1 . . . A 23 ILE CA . 18049 1 184 . 1 1 23 23 ILE CB C 13 36.980 0.400 . 1 . . . A 23 ILE CB . 18049 1 185 . 1 1 23 23 ILE CG1 C 13 24.220 0.400 . 1 . . . A 23 ILE CG1 . 18049 1 186 . 1 1 23 23 ILE CG2 C 13 14.820 0.400 . 1 . . . A 23 ILE CG2 . 18049 1 187 . 1 1 23 23 ILE CD1 C 13 10.000 0.400 . 1 . . . A 23 ILE CD1 . 18049 1 188 . 1 1 23 23 ILE N N 15 117.100 0.400 . 1 . . . A 23 ILE N . 18049 1 189 . 1 1 24 24 ILE H H 1 8.486 0.020 . 1 . . . A 24 ILE H . 18049 1 190 . 1 1 24 24 ILE HA H 1 3.950 0.020 . 1 . . . A 24 ILE HA . 18049 1 191 . 1 1 24 24 ILE HB H 1 1.544 0.020 . 1 . . . A 24 ILE HB . 18049 1 192 . 1 1 24 24 ILE HG12 H 1 1.573 0.020 . 2 . . . A 24 ILE HG12 . 18049 1 193 . 1 1 24 24 ILE HG13 H 1 2.547 0.020 . 2 . . . A 24 ILE HG13 . 18049 1 194 . 1 1 24 24 ILE HG21 H 1 0.523 0.020 . . . . . A 24 ILE HG21 . 18049 1 195 . 1 1 24 24 ILE HG22 H 1 0.523 0.020 . . . . . A 24 ILE HG22 . 18049 1 196 . 1 1 24 24 ILE HG23 H 1 0.523 0.020 . . . . . A 24 ILE HG23 . 18049 1 197 . 1 1 24 24 ILE HD11 H 1 0.548 0.020 . . . . . A 24 ILE HD11 . 18049 1 198 . 1 1 24 24 ILE HD12 H 1 0.548 0.020 . . . . . A 24 ILE HD12 . 18049 1 199 . 1 1 24 24 ILE HD13 H 1 0.548 0.020 . . . . . A 24 ILE HD13 . 18049 1 200 . 1 1 24 24 ILE CA C 13 56.690 0.400 . 1 . . . A 24 ILE CA . 18049 1 201 . 1 1 24 24 ILE CB C 13 37.176 0.400 . 1 . . . A 24 ILE CB . 18049 1 202 . 1 1 24 24 ILE CG1 C 13 27.572 0.400 . 1 . . . A 24 ILE CG1 . 18049 1 203 . 1 1 24 24 ILE CG2 C 13 14.307 0.400 . 1 . . . A 24 ILE CG2 . 18049 1 204 . 1 1 24 24 ILE CD1 C 13 10.208 0.400 . 1 . . . A 24 ILE CD1 . 18049 1 205 . 1 1 24 24 ILE N N 15 126.524 0.400 . 1 . . . A 24 ILE N . 18049 1 206 . 1 1 25 25 CYS HB2 H 1 3.135 0.020 . 2 . . . A 25 CYS HB2 . 18049 1 207 . 1 1 25 25 CYS HB3 H 1 3.250 0.020 . 2 . . . A 25 CYS HB3 . 18049 1 208 . 1 1 25 25 CYS CA C 13 56.014 0.400 . 1 . . . A 25 CYS CA . 18049 1 209 . 1 1 25 25 CYS CB C 13 27.273 0.400 . 1 . . . A 25 CYS CB . 18049 1 210 . 1 1 26 26 SER H H 1 9.491 0.020 . 1 . . . A 26 SER H . 18049 1 211 . 1 1 26 26 SER HA H 1 4.050 0.020 . 1 . . . A 26 SER HA . 18049 1 212 . 1 1 26 26 SER HB2 H 1 3.551 0.020 . 2 . . . A 26 SER HB2 . 18049 1 213 . 1 1 26 26 SER HB3 H 1 3.637 0.020 . 2 . . . A 26 SER HB3 . 18049 1 214 . 1 1 26 26 SER CA C 13 58.170 0.400 . 1 . . . A 26 SER CA . 18049 1 215 . 1 1 26 26 SER CB C 13 60.523 0.400 . 1 . . . A 26 SER CB . 18049 1 216 . 1 1 26 26 SER N N 15 127.811 0.400 . 1 . . . A 26 SER N . 18049 1 217 . 1 1 27 27 TYR H H 1 9.389 0.020 . 1 . . . A 27 TYR H . 18049 1 218 . 1 1 27 27 TYR HA H 1 4.525 0.020 . 1 . . . A 27 TYR HA . 18049 1 219 . 1 1 27 27 TYR HB2 H 1 2.955 0.020 . 2 . . . A 27 TYR HB2 . 18049 1 220 . 1 1 27 27 TYR HB3 H 1 3.403 0.020 . 2 . . . A 27 TYR HB3 . 18049 1 221 . 1 1 27 27 TYR HD1 H 1 7.170 0.020 . 1 . . . A 27 TYR HD1 . 18049 1 222 . 1 1 27 27 TYR HD2 H 1 7.170 0.020 . 1 . . . A 27 TYR HD2 . 18049 1 223 . 1 1 27 27 TYR CA C 13 57.890 0.400 . 1 . . . A 27 TYR CA . 18049 1 224 . 1 1 27 27 TYR CB C 13 37.093 0.400 . 1 . . . A 27 TYR CB . 18049 1 225 . 1 1 27 27 TYR N N 15 124.378 0.400 . 1 . . . A 27 TYR N . 18049 1 226 . 1 1 28 28 CYS H H 1 8.490 0.020 . 1 . . . A 28 CYS H . 18049 1 227 . 1 1 28 28 CYS HB2 H 1 1.951 0.020 . 2 . . . A 28 CYS HB2 . 18049 1 228 . 1 1 28 28 CYS HB3 H 1 1.560 0.020 . 2 . . . A 28 CYS HB3 . 18049 1 229 . 1 1 28 28 CYS CA C 13 55.921 0.400 . 1 . . . A 28 CYS CA . 18049 1 230 . 1 1 28 28 CYS CB C 13 30.198 0.400 . 1 . . . A 28 CYS CB . 18049 1 231 . 1 1 28 28 CYS N N 15 126.900 0.400 . 1 . . . A 28 CYS N . 18049 1 232 . 1 1 29 29 GLY H H 1 7.792 0.020 . 1 . . . A 29 GLY H . 18049 1 233 . 1 1 29 29 GLY HA2 H 1 3.700 0.020 . 2 . . . A 29 GLY HA2 . 18049 1 234 . 1 1 29 29 GLY HA3 H 1 4.070 0.020 . 2 . . . A 29 GLY HA3 . 18049 1 235 . 1 1 29 29 GLY CA C 13 43.348 0.400 . 1 . . . A 29 GLY CA . 18049 1 236 . 1 1 29 29 GLY N N 15 113.271 0.400 . 1 . . . A 29 GLY N . 18049 1 237 . 1 1 30 30 ALA H H 1 8.541 0.020 . 1 . . . A 30 ALA H . 18049 1 238 . 1 1 30 30 ALA HA H 1 4.119 0.020 . 1 . . . A 30 ALA HA . 18049 1 239 . 1 1 30 30 ALA HB1 H 1 1.195 0.020 . . . . . A 30 ALA HB1 . 18049 1 240 . 1 1 30 30 ALA HB2 H 1 1.195 0.020 . . . . . A 30 ALA HB2 . 18049 1 241 . 1 1 30 30 ALA HB3 H 1 1.195 0.020 . . . . . A 30 ALA HB3 . 18049 1 242 . 1 1 30 30 ALA CA C 13 51.140 0.400 . 1 . . . A 30 ALA CA . 18049 1 243 . 1 1 30 30 ALA CB C 13 17.720 0.400 . 1 . . . A 30 ALA CB . 18049 1 244 . 1 1 30 30 ALA N N 15 124.805 0.400 . 1 . . . A 30 ALA N . 18049 1 245 . 1 1 31 31 THR H H 1 8.544 0.020 . 1 . . . A 31 THR H . 18049 1 246 . 1 1 31 31 THR HB H 1 3.780 0.020 . 1 . . . A 31 THR HB . 18049 1 247 . 1 1 31 31 THR HG21 H 1 0.840 0.020 . . . . . A 31 THR HG21 . 18049 1 248 . 1 1 31 31 THR HG22 H 1 0.840 0.020 . . . . . A 31 THR HG22 . 18049 1 249 . 1 1 31 31 THR HG23 H 1 0.840 0.020 . . . . . A 31 THR HG23 . 18049 1 250 . 1 1 31 31 THR CA C 13 58.082 0.400 . 1 . . . A 31 THR CA . 18049 1 251 . 1 1 31 31 THR CB C 13 67.072 0.400 . 1 . . . A 31 THR CB . 18049 1 252 . 1 1 31 31 THR CG2 C 13 18.450 0.400 . 1 . . . A 31 THR CG2 . 18049 1 253 . 1 1 31 31 THR N N 15 118.352 0.400 . 1 . . . A 31 THR N . 18049 1 254 . 1 1 32 32 ASP H H 1 9.768 0.020 . 1 . . . A 32 ASP H . 18049 1 255 . 1 1 32 32 ASP HA H 1 4.043 0.020 . 1 . . . A 32 ASP HA . 18049 1 256 . 1 1 32 32 ASP HB2 H 1 2.595 0.020 . 2 . . . A 32 ASP HB2 . 18049 1 257 . 1 1 32 32 ASP HB3 H 1 2.835 0.020 . 2 . . . A 32 ASP HB3 . 18049 1 258 . 1 1 32 32 ASP CA C 13 53.149 0.400 . 1 . . . A 32 ASP CA . 18049 1 259 . 1 1 32 32 ASP CB C 13 36.447 0.400 . 1 . . . A 32 ASP CB . 18049 1 260 . 1 1 32 32 ASP N N 15 123.222 0.400 . 1 . . . A 32 ASP N . 18049 1 261 . 1 1 33 33 ASP H H 1 8.111 0.020 . 1 . . . A 33 ASP H . 18049 1 262 . 1 1 33 33 ASP HB2 H 1 2.110 0.020 . 2 . . . A 33 ASP HB2 . 18049 1 263 . 1 1 33 33 ASP HB3 H 1 2.270 0.020 . 2 . . . A 33 ASP HB3 . 18049 1 264 . 1 1 33 33 ASP CA C 13 53.320 0.400 . 1 . . . A 33 ASP CA . 18049 1 265 . 1 1 33 33 ASP CB C 13 43.190 0.400 . 1 . . . A 33 ASP CB . 18049 1 266 . 1 1 33 33 ASP N N 15 116.889 0.400 . 1 . . . A 33 ASP N . 18049 1 267 . 1 1 34 34 HIS H H 1 6.959 0.020 . 1 . . . A 34 HIS H . 18049 1 268 . 1 1 34 34 HIS HB2 H 1 2.370 0.020 . 2 . . . A 34 HIS HB2 . 18049 1 269 . 1 1 34 34 HIS HB3 H 1 2.860 0.020 . 2 . . . A 34 HIS HB3 . 18049 1 270 . 1 1 34 34 HIS HD1 H 1 7.620 0.020 . 1 . . . A 34 HIS HD1 . 18049 1 271 . 1 1 34 34 HIS HD2 H 1 7.200 0.020 . 1 . . . A 34 HIS HD2 . 18049 1 272 . 1 1 34 34 HIS CA C 13 53.190 0.400 . 1 . . . A 34 HIS CA . 18049 1 273 . 1 1 34 34 HIS CB C 13 29.660 0.400 . 1 . . . A 34 HIS CB . 18049 1 274 . 1 1 34 34 HIS N N 15 110.849 0.400 . 1 . . . A 34 HIS N . 18049 1 275 . 1 1 35 35 TYR H H 1 8.813 0.020 . 1 . . . A 35 TYR H . 18049 1 276 . 1 1 35 35 TYR HB2 H 1 2.450 0.020 . 2 . . . A 35 TYR HB2 . 18049 1 277 . 1 1 35 35 TYR HB3 H 1 3.370 0.020 . 2 . . . A 35 TYR HB3 . 18049 1 278 . 1 1 35 35 TYR CA C 13 54.137 0.400 . 1 . . . A 35 TYR CA . 18049 1 279 . 1 1 35 35 TYR CB C 13 37.567 0.400 . 1 . . . A 35 TYR CB . 18049 1 280 . 1 1 35 35 TYR N N 15 117.529 0.400 . 1 . . . A 35 TYR N . 18049 1 281 . 1 1 36 36 SER H H 1 8.518 0.020 . 1 . . . A 36 SER H . 18049 1 282 . 1 1 36 36 SER CA C 13 57.520 0.400 . 1 . . . A 36 SER CA . 18049 1 283 . 1 1 36 36 SER CB C 13 59.800 0.400 . 1 . . . A 36 SER CB . 18049 1 284 . 1 1 36 36 SER N N 15 121.984 0.400 . 1 . . . A 36 SER N . 18049 1 285 . 1 1 37 37 ARG H H 1 7.963 0.020 . 1 . . . A 37 ARG H . 18049 1 286 . 1 1 37 37 ARG CA C 13 51.671 0.400 . 1 . . . A 37 ARG CA . 18049 1 287 . 1 1 37 37 ARG CB C 13 27.093 0.400 . 1 . . . A 37 ARG CB . 18049 1 288 . 1 1 37 37 ARG N N 15 119.707 0.400 . 1 . . . A 37 ARG N . 18049 1 289 . 1 1 38 38 HIS H H 1 7.443 0.020 . 1 . . . A 38 HIS H . 18049 1 290 . 1 1 38 38 HIS CA C 13 56.276 0.400 . 1 . . . A 38 HIS CA . 18049 1 291 . 1 1 38 38 HIS N N 15 125.394 0.400 . 1 . . . A 38 HIS N . 18049 1 292 . 1 1 39 39 CYS HA H 1 4.450 0.020 . 1 . . . A 39 CYS HA . 18049 1 293 . 1 1 39 39 CYS HB2 H 1 1.580 0.020 . 2 . . . A 39 CYS HB2 . 18049 1 294 . 1 1 39 39 CYS HB3 H 1 1.710 0.020 . 2 . . . A 39 CYS HB3 . 18049 1 295 . 1 1 39 39 CYS CA C 13 51.680 0.400 . 1 . . . A 39 CYS CA . 18049 1 296 . 1 1 39 39 CYS CB C 13 28.240 0.400 . 1 . . . A 39 CYS CB . 18049 1 297 . 1 1 40 40 PRO HA H 1 4.310 0.020 . 1 . . . A 40 PRO HA . 18049 1 298 . 1 1 40 40 PRO HB2 H 1 1.742 0.020 . 2 . . . A 40 PRO HB2 . 18049 1 299 . 1 1 40 40 PRO HB3 H 1 2.165 0.020 . 2 . . . A 40 PRO HB3 . 18049 1 300 . 1 1 40 40 PRO HD2 H 1 3.490 0.020 . 2 . . . A 40 PRO HD2 . 18049 1 301 . 1 1 40 40 PRO HD3 H 1 3.690 0.020 . 2 . . . A 40 PRO HD3 . 18049 1 302 . 1 1 40 40 PRO CA C 13 60.440 0.400 . 1 . . . A 40 PRO CA . 18049 1 303 . 1 1 40 40 PRO CB C 13 30.300 0.400 . 1 . . . A 40 PRO CB . 18049 1 304 . 1 1 40 40 PRO CD C 13 48.000 0.400 . 1 . . . A 40 PRO CD . 18049 1 305 . 1 1 41 41 LYS H H 1 8.650 0.020 . 1 . . . A 41 LYS H . 18049 1 306 . 1 1 41 41 LYS HA H 1 4.079 0.020 . 1 . . . A 41 LYS HA . 18049 1 307 . 1 1 41 41 LYS HB2 H 1 1.820 0.020 . 2 . . . A 41 LYS HB2 . 18049 1 308 . 1 1 41 41 LYS HB3 H 1 1.748 0.020 . 2 . . . A 41 LYS HB3 . 18049 1 309 . 1 1 41 41 LYS CA C 13 53.680 0.400 . 1 . . . A 41 LYS CA . 18049 1 310 . 1 1 41 41 LYS CB C 13 29.641 0.400 . 1 . . . A 41 LYS CB . 18049 1 311 . 1 1 41 41 LYS N N 15 121.400 0.400 . 1 . . . A 41 LYS N . 18049 1 312 . 1 1 42 42 ALA H H 1 7.201 0.020 . 1 . . . A 42 ALA H . 18049 1 313 . 1 1 42 42 ALA HA H 1 3.519 0.020 . 1 . . . A 42 ALA HA . 18049 1 314 . 1 1 42 42 ALA HB1 H 1 0.819 0.020 . . . . . A 42 ALA HB1 . 18049 1 315 . 1 1 42 42 ALA HB2 H 1 0.819 0.020 . . . . . A 42 ALA HB2 . 18049 1 316 . 1 1 42 42 ALA HB3 H 1 0.819 0.020 . . . . . A 42 ALA HB3 . 18049 1 317 . 1 1 42 42 ALA CA C 13 49.591 0.400 . 1 . . . A 42 ALA CA . 18049 1 318 . 1 1 42 42 ALA CB C 13 16.456 0.400 . 1 . . . A 42 ALA CB . 18049 1 319 . 1 1 42 42 ALA N N 15 122.096 0.400 . 1 . . . A 42 ALA N . 18049 1 320 . 1 1 43 43 ILE H H 1 7.086 0.020 . 1 . . . A 43 ILE H . 18049 1 321 . 1 1 43 43 ILE HA H 1 3.731 0.020 . 1 . . . A 43 ILE HA . 18049 1 322 . 1 1 43 43 ILE HB H 1 1.306 0.020 . 1 . . . A 43 ILE HB . 18049 1 323 . 1 1 43 43 ILE HG12 H 1 1.060 0.020 . 2 . . . A 43 ILE HG12 . 18049 1 324 . 1 1 43 43 ILE HG13 H 1 0.745 0.020 . 2 . . . A 43 ILE HG13 . 18049 1 325 . 1 1 43 43 ILE HG21 H 1 0.150 0.020 . . . . . A 43 ILE HG21 . 18049 1 326 . 1 1 43 43 ILE HG22 H 1 0.150 0.020 . . . . . A 43 ILE HG22 . 18049 1 327 . 1 1 43 43 ILE HG23 H 1 0.150 0.020 . . . . . A 43 ILE HG23 . 18049 1 328 . 1 1 43 43 ILE HD11 H 1 0.494 0.020 . . . . . A 43 ILE HD11 . 18049 1 329 . 1 1 43 43 ILE HD12 H 1 0.494 0.020 . . . . . A 43 ILE HD12 . 18049 1 330 . 1 1 43 43 ILE HD13 H 1 0.494 0.020 . . . . . A 43 ILE HD13 . 18049 1 331 . 1 1 43 43 ILE CA C 13 57.966 0.400 . 1 . . . A 43 ILE CA . 18049 1 332 . 1 1 43 43 ILE CB C 13 35.977 0.400 . 1 . . . A 43 ILE CB . 18049 1 333 . 1 1 43 43 ILE CG1 C 13 24.054 0.400 . 1 . . . A 43 ILE CG1 . 18049 1 334 . 1 1 43 43 ILE CG2 C 13 13.895 0.400 . 1 . . . A 43 ILE CG2 . 18049 1 335 . 1 1 43 43 ILE CD1 C 13 10.526 0.400 . 1 . . . A 43 ILE CD1 . 18049 1 336 . 1 1 43 43 ILE N N 15 119.646 0.400 . 1 . . . A 43 ILE N . 18049 1 337 . 1 1 44 44 GLN H H 1 7.980 0.020 . 1 . . . A 44 GLN H . 18049 1 338 . 1 1 44 44 GLN HA H 1 4.432 0.020 . 1 . . . A 44 GLN HA . 18049 1 339 . 1 1 44 44 GLN HB2 H 1 1.715 0.020 . 2 . . . A 44 GLN HB2 . 18049 1 340 . 1 1 44 44 GLN HB3 H 1 1.877 0.020 . 2 . . . A 44 GLN HB3 . 18049 1 341 . 1 1 44 44 GLN CA C 13 51.736 0.400 . 1 . . . A 44 GLN CA . 18049 1 342 . 1 1 44 44 GLN CB C 13 28.084 0.400 . 1 . . . A 44 GLN CB . 18049 1 343 . 1 1 44 44 GLN N N 15 125.541 0.400 . 1 . . . A 44 GLN N . 18049 1 344 . 1 1 45 45 CYS H H 1 8.353 0.020 . 1 . . . A 45 CYS H . 18049 1 345 . 1 1 45 45 CYS HA H 1 4.120 0.020 . 1 . . . A 45 CYS HA . 18049 1 346 . 1 1 45 45 CYS HB2 H 1 1.880 0.020 . 2 . . . A 45 CYS HB2 . 18049 1 347 . 1 1 45 45 CYS HB3 H 1 2.780 0.020 . 2 . . . A 45 CYS HB3 . 18049 1 348 . 1 1 45 45 CYS CA C 13 57.330 0.400 . 1 . . . A 45 CYS CA . 18049 1 349 . 1 1 45 45 CYS CB C 13 28.000 0.400 . 1 . . . A 45 CYS CB . 18049 1 350 . 1 1 45 45 CYS N N 15 130.678 0.400 . 1 . . . A 45 CYS N . 18049 1 351 . 1 1 46 46 SER H H 1 8.466 0.020 . 1 . . . A 46 SER H . 18049 1 352 . 1 1 46 46 SER HA H 1 4.334 0.020 . 1 . . . A 46 SER HA . 18049 1 353 . 1 1 46 46 SER HB2 H 1 3.950 0.020 . 2 . . . A 46 SER HB2 . 18049 1 354 . 1 1 46 46 SER HB3 H 1 4.104 0.020 . 2 . . . A 46 SER HB3 . 18049 1 355 . 1 1 46 46 SER CA C 13 56.923 0.400 . 1 . . . A 46 SER CA . 18049 1 356 . 1 1 46 46 SER CB C 13 60.400 0.400 . 1 . . . A 46 SER CB . 18049 1 357 . 1 1 46 46 SER N N 15 124.273 0.400 . 1 . . . A 46 SER N . 18049 1 358 . 1 1 47 47 LYS H H 1 9.720 0.020 . 1 . . . A 47 LYS H . 18049 1 359 . 1 1 47 47 LYS HA H 1 4.360 0.020 . 1 . . . A 47 LYS HA . 18049 1 360 . 1 1 47 47 LYS HB2 H 1 1.540 0.020 . 2 . . . A 47 LYS HB2 . 18049 1 361 . 1 1 47 47 LYS HB3 H 1 2.200 0.020 . 2 . . . A 47 LYS HB3 . 18049 1 362 . 1 1 47 47 LYS HG2 H 1 1.650 0.020 . 1 . . . A 47 LYS HG2 . 18049 1 363 . 1 1 47 47 LYS HE2 H 1 2.870 0.020 . 1 . . . A 47 LYS HE2 . 18049 1 364 . 1 1 47 47 LYS CA C 13 56.320 0.400 . 1 . . . A 47 LYS CA . 18049 1 365 . 1 1 47 47 LYS CB C 13 31.300 0.400 . 1 . . . A 47 LYS CB . 18049 1 366 . 1 1 47 47 LYS CG C 13 26.700 0.400 . 1 . . . A 47 LYS CG . 18049 1 367 . 1 1 47 47 LYS CE C 13 39.700 0.400 . 1 . . . A 47 LYS CE . 18049 1 368 . 1 1 47 47 LYS N N 15 127.929 0.400 . 1 . . . A 47 LYS N . 18049 1 369 . 1 1 48 48 CYS H H 1 8.600 0.020 . 1 . . . A 48 CYS H . 18049 1 370 . 1 1 48 48 CYS HA H 1 4.590 0.020 . 1 . . . A 48 CYS HA . 18049 1 371 . 1 1 48 48 CYS HB2 H 1 3.080 0.020 . 2 . . . A 48 CYS HB2 . 18049 1 372 . 1 1 48 48 CYS HB3 H 1 3.160 0.020 . 2 . . . A 48 CYS HB3 . 18049 1 373 . 1 1 48 48 CYS CA C 13 51.500 0.400 . 1 . . . A 48 CYS CA . 18049 1 374 . 1 1 48 48 CYS CB C 13 28.100 0.400 . 1 . . . A 48 CYS CB . 18049 1 375 . 1 1 49 49 ASP H H 1 8.830 0.020 . 1 . . . A 49 ASP H . 18049 1 376 . 1 1 49 49 ASP HA H 1 4.710 0.020 . 1 . . . A 49 ASP HA . 18049 1 377 . 1 1 49 49 ASP HB2 H 1 3.090 0.020 . 2 . . . A 49 ASP HB2 . 18049 1 378 . 1 1 49 49 ASP HB3 H 1 3.130 0.020 . 2 . . . A 49 ASP HB3 . 18049 1 379 . 1 1 49 49 ASP CA C 13 54.300 0.400 . 1 . . . A 49 ASP CA . 18049 1 380 . 1 1 49 49 ASP CB C 13 41.200 0.400 . 1 . . . A 49 ASP CB . 18049 1 381 . 1 1 50 50 GLU H H 1 8.226 0.020 . 1 . . . A 50 GLU H . 18049 1 382 . 1 1 50 50 GLU HA H 1 4.295 0.020 . 1 . . . A 50 GLU HA . 18049 1 383 . 1 1 50 50 GLU HB2 H 1 1.907 0.020 . 2 . . . A 50 GLU HB2 . 18049 1 384 . 1 1 50 50 GLU HB3 H 1 1.997 0.020 . 2 . . . A 50 GLU HB3 . 18049 1 385 . 1 1 50 50 GLU HG2 H 1 2.275 0.020 . 2 . . . A 50 GLU HG2 . 18049 1 386 . 1 1 50 50 GLU HG3 H 1 2.574 0.020 . 2 . . . A 50 GLU HG3 . 18049 1 387 . 1 1 50 50 GLU CA C 13 54.340 0.400 . 1 . . . A 50 GLU CA . 18049 1 388 . 1 1 50 50 GLU CB C 13 28.500 0.400 . 1 . . . A 50 GLU CB . 18049 1 389 . 1 1 50 50 GLU CG C 13 34.600 0.400 . 1 . . . A 50 GLU CG . 18049 1 390 . 1 1 50 50 GLU N N 15 118.700 0.400 . 1 . . . A 50 GLU N . 18049 1 391 . 1 1 51 51 VAL H H 1 8.216 0.020 . 1 . . . A 51 VAL H . 18049 1 392 . 1 1 51 51 VAL HA H 1 4.273 0.020 . 1 . . . A 51 VAL HA . 18049 1 393 . 1 1 51 51 VAL HB H 1 1.850 0.020 . 1 . . . A 51 VAL HB . 18049 1 394 . 1 1 51 51 VAL HG11 H 1 0.739 0.020 . . . . . A 51 VAL HG11 . 18049 1 395 . 1 1 51 51 VAL HG12 H 1 0.739 0.020 . . . . . A 51 VAL HG12 . 18049 1 396 . 1 1 51 51 VAL HG13 H 1 0.739 0.020 . . . . . A 51 VAL HG13 . 18049 1 397 . 1 1 51 51 VAL HG21 H 1 0.809 0.020 . . . . . A 51 VAL HG21 . 18049 1 398 . 1 1 51 51 VAL HG22 H 1 0.809 0.020 . . . . . A 51 VAL HG22 . 18049 1 399 . 1 1 51 51 VAL HG23 H 1 0.809 0.020 . . . . . A 51 VAL HG23 . 18049 1 400 . 1 1 51 51 VAL CA C 13 59.380 0.400 . 1 . . . A 51 VAL CA . 18049 1 401 . 1 1 51 51 VAL CB C 13 30.250 0.400 . 1 . . . A 51 VAL CB . 18049 1 402 . 1 1 51 51 VAL CG1 C 13 18.800 0.400 . 2 . . . A 51 VAL CG1 . 18049 1 403 . 1 1 51 51 VAL CG2 C 13 18.680 0.400 . 2 . . . A 51 VAL CG2 . 18049 1 404 . 1 1 51 51 VAL N N 15 118.593 0.400 . 1 . . . A 51 VAL N . 18049 1 405 . 1 1 52 52 GLY H H 1 8.630 0.020 . 1 . . . A 52 GLY H . 18049 1 406 . 1 1 52 52 GLY HA2 H 1 3.513 0.020 . 2 . . . A 52 GLY HA2 . 18049 1 407 . 1 1 52 52 GLY HA3 H 1 4.389 0.020 . 2 . . . A 52 GLY HA3 . 18049 1 408 . 1 1 52 52 GLY CA C 13 42.690 0.400 . 1 . . . A 52 GLY CA . 18049 1 409 . 1 1 52 52 GLY N N 15 110.908 0.400 . 1 . . . A 52 GLY N . 18049 1 410 . 1 1 53 53 HIS H H 1 6.855 0.020 . 1 . . . A 53 HIS H . 18049 1 411 . 1 1 53 53 HIS HA H 1 4.590 0.020 . 1 . . . A 53 HIS HA . 18049 1 412 . 1 1 53 53 HIS HB2 H 1 3.100 0.020 . 2 . . . A 53 HIS HB2 . 18049 1 413 . 1 1 53 53 HIS HB3 H 1 3.160 0.020 . 2 . . . A 53 HIS HB3 . 18049 1 414 . 1 1 53 53 HIS HD1 H 1 8.600 0.020 . 1 . . . A 53 HIS HD1 . 18049 1 415 . 1 1 53 53 HIS HD2 H 1 6.900 0.020 . 1 . . . A 53 HIS HD2 . 18049 1 416 . 1 1 53 53 HIS CA C 13 52.450 0.400 . 1 . . . A 53 HIS CA . 18049 1 417 . 1 1 53 53 HIS CB C 13 28.040 0.400 . 1 . . . A 53 HIS CB . 18049 1 418 . 1 1 53 53 HIS N N 15 113.633 0.400 . 1 . . . A 53 HIS N . 18049 1 419 . 1 1 54 54 TYR H H 1 8.054 0.020 . 1 . . . A 54 TYR H . 18049 1 420 . 1 1 54 54 TYR HA H 1 4.170 0.020 . 1 . . . A 54 TYR HA . 18049 1 421 . 1 1 54 54 TYR HD1 H 1 7.060 0.020 . 1 . . . A 54 TYR HD1 . 18049 1 422 . 1 1 54 54 TYR HD2 H 1 7.060 0.020 . 1 . . . A 54 TYR HD2 . 18049 1 423 . 1 1 54 54 TYR CA C 13 53.800 0.400 . 1 . . . A 54 TYR CA . 18049 1 424 . 1 1 54 54 TYR CB C 13 36.629 0.400 . 1 . . . A 54 TYR CB . 18049 1 425 . 1 1 54 54 TYR N N 15 115.154 0.400 . 1 . . . A 54 TYR N . 18049 1 426 . 1 1 55 55 ARG H H 1 8.490 0.020 . 1 . . . A 55 ARG H . 18049 1 427 . 1 1 55 55 ARG HA H 1 3.599 0.020 . 1 . . . A 55 ARG HA . 18049 1 428 . 1 1 55 55 ARG HB2 H 1 2.585 0.020 . 1 . . . A 55 ARG HB2 . 18049 1 429 . 1 1 55 55 ARG CA C 13 55.823 0.400 . 1 . . . A 55 ARG CA . 18049 1 430 . 1 1 55 55 ARG CB C 13 26.221 0.400 . 1 . . . A 55 ARG CB . 18049 1 431 . 1 1 55 55 ARG N N 15 126.509 0.400 . 1 . . . A 55 ARG N . 18049 1 432 . 1 1 56 56 SER H H 1 8.247 0.020 . 1 . . . A 56 SER H . 18049 1 433 . 1 1 56 56 SER CA C 13 56.523 0.400 . 1 . . . A 56 SER CA . 18049 1 434 . 1 1 56 56 SER CB C 13 62.261 0.400 . 1 . . . A 56 SER CB . 18049 1 435 . 1 1 56 56 SER N N 15 116.450 0.400 . 1 . . . A 56 SER N . 18049 1 436 . 1 1 57 57 GLN H H 1 8.702 0.020 . 1 . . . A 57 GLN H . 18049 1 437 . 1 1 57 57 GLN HA H 1 4.174 0.020 . 1 . . . A 57 GLN HA . 18049 1 438 . 1 1 57 57 GLN HB2 H 1 1.567 0.020 . 2 . . . A 57 GLN HB2 . 18049 1 439 . 1 1 57 57 GLN HB3 H 1 2.322 0.020 . 2 . . . A 57 GLN HB3 . 18049 1 440 . 1 1 57 57 GLN CA C 13 53.610 0.400 . 1 . . . A 57 GLN CA . 18049 1 441 . 1 1 57 57 GLN CB C 13 27.060 0.400 . 1 . . . A 57 GLN CB . 18049 1 442 . 1 1 57 57 GLN N N 15 124.678 0.400 . 1 . . . A 57 GLN N . 18049 1 443 . 1 1 58 58 CYS H H 1 7.694 0.020 . 1 . . . A 58 CYS H . 18049 1 444 . 1 1 58 58 CYS HA H 1 4.416 0.020 . 1 . . . A 58 CYS HA . 18049 1 445 . 1 1 58 58 CYS HB2 H 1 1.923 0.020 . 2 . . . A 58 CYS HB2 . 18049 1 446 . 1 1 58 58 CYS HB3 H 1 2.187 0.020 . 2 . . . A 58 CYS HB3 . 18049 1 447 . 1 1 58 58 CYS CA C 13 55.001 0.400 . 1 . . . A 58 CYS CA . 18049 1 448 . 1 1 58 58 CYS CB C 13 31.080 0.400 . 1 . . . A 58 CYS CB . 18049 1 449 . 1 1 58 58 CYS N N 15 126.577 0.400 . 1 . . . A 58 CYS N . 18049 1 450 . 1 1 62 62 TRP CA C 13 59.791 0.400 . 1 . . . A 62 TRP CA . 18049 1 451 . 1 1 62 62 TRP CB C 13 27.411 0.400 . 1 . . . A 62 TRP CB . 18049 1 452 . 1 1 63 63 LYS H H 1 8.033 0.020 . 1 . . . A 63 LYS H . 18049 1 453 . 1 1 63 63 LYS CA C 13 52.372 0.400 . 1 . . . A 63 LYS CA . 18049 1 454 . 1 1 63 63 LYS CB C 13 27.792 0.400 . 1 . . . A 63 LYS CB . 18049 1 455 . 1 1 63 63 LYS N N 15 121.641 0.400 . 1 . . . A 63 LYS N . 18049 1 456 . 1 1 64 64 LYS H H 1 8.104 0.020 . 1 . . . A 64 LYS H . 18049 1 457 . 1 1 64 64 LYS CA C 13 53.743 0.400 . 1 . . . A 64 LYS CA . 18049 1 458 . 1 1 64 64 LYS N N 15 111.775 0.400 . 1 . . . A 64 LYS N . 18049 1 459 . 1 1 65 65 VAL H H 1 8.306 0.020 . 1 . . . A 65 VAL H . 18049 1 460 . 1 1 65 65 VAL HA H 1 4.040 0.020 . 1 . . . A 65 VAL HA . 18049 1 461 . 1 1 65 65 VAL HG11 H 1 0.778 0.020 . . . . . A 65 VAL HG11 . 18049 1 462 . 1 1 65 65 VAL HG12 H 1 0.778 0.020 . . . . . A 65 VAL HG12 . 18049 1 463 . 1 1 65 65 VAL HG13 H 1 0.778 0.020 . . . . . A 65 VAL HG13 . 18049 1 464 . 1 1 65 65 VAL HG21 H 1 0.803 0.020 . . . . . A 65 VAL HG21 . 18049 1 465 . 1 1 65 65 VAL HG22 H 1 0.803 0.020 . . . . . A 65 VAL HG22 . 18049 1 466 . 1 1 65 65 VAL HG23 H 1 0.803 0.020 . . . . . A 65 VAL HG23 . 18049 1 467 . 1 1 65 65 VAL CA C 13 59.290 0.400 . 1 . . . A 65 VAL CA . 18049 1 468 . 1 1 65 65 VAL CB C 13 29.411 0.400 . 1 . . . A 65 VAL CB . 18049 1 469 . 1 1 65 65 VAL CG1 C 13 18.620 0.400 . 2 . . . A 65 VAL CG1 . 18049 1 470 . 1 1 65 65 VAL CG2 C 13 18.090 0.400 . 2 . . . A 65 VAL CG2 . 18049 1 471 . 1 1 65 65 VAL N N 15 122.037 0.400 . 1 . . . A 65 VAL N . 18049 1 472 . 1 1 66 66 GLN H H 1 8.360 0.020 . 1 . . . A 66 GLN H . 18049 1 473 . 1 1 66 66 GLN CA C 13 53.603 0.400 . 1 . . . A 66 GLN CA . 18049 1 474 . 1 1 66 66 GLN CB C 13 30.300 0.400 . 1 . . . A 66 GLN CB . 18049 1 475 . 1 1 66 66 GLN N N 15 121.994 0.400 . 1 . . . A 66 GLN N . 18049 1 476 . 1 1 67 67 CYS H H 1 8.032 0.020 . 1 . . . A 67 CYS H . 18049 1 477 . 1 1 67 67 CYS HA H 1 4.039 0.020 . 1 . . . A 67 CYS HA . 18049 1 478 . 1 1 67 67 CYS HB2 H 1 1.667 0.020 . 2 . . . A 67 CYS HB2 . 18049 1 479 . 1 1 67 67 CYS HB3 H 1 1.894 0.020 . 2 . . . A 67 CYS HB3 . 18049 1 480 . 1 1 67 67 CYS CA C 13 59.215 0.400 . 1 . . . A 67 CYS CA . 18049 1 481 . 1 1 67 67 CYS CB C 13 30.532 0.400 . 1 . . . A 67 CYS CB . 18049 1 482 . 1 1 67 67 CYS N N 15 121.582 0.400 . 1 . . . A 67 CYS N . 18049 1 483 . 1 1 68 68 THR HA H 1 4.046 0.020 . 1 . . . A 68 THR HA . 18049 1 484 . 1 1 68 68 THR HB H 1 4.290 0.020 . 1 . . . A 68 THR HB . 18049 1 485 . 1 1 68 68 THR HG21 H 1 1.280 0.020 . . . . . A 68 THR HG21 . 18049 1 486 . 1 1 68 68 THR HG22 H 1 1.280 0.020 . . . . . A 68 THR HG22 . 18049 1 487 . 1 1 68 68 THR HG23 H 1 1.280 0.020 . . . . . A 68 THR HG23 . 18049 1 488 . 1 1 68 68 THR CA C 13 61.228 0.400 . 1 . . . A 68 THR CA . 18049 1 489 . 1 1 68 68 THR CB C 13 65.371 0.400 . 1 . . . A 68 THR CB . 18049 1 490 . 1 1 68 68 THR CG2 C 13 20.348 0.400 . 1 . . . A 68 THR CG2 . 18049 1 491 . 1 1 69 69 LEU H H 1 9.024 0.020 . 1 . . . A 69 LEU H . 18049 1 492 . 1 1 69 69 LEU HA H 1 4.382 0.020 . 1 . . . A 69 LEU HA . 18049 1 493 . 1 1 69 69 LEU HB2 H 1 1.388 0.020 . 2 . . . A 69 LEU HB2 . 18049 1 494 . 1 1 69 69 LEU HB3 H 1 2.129 0.020 . 2 . . . A 69 LEU HB3 . 18049 1 495 . 1 1 69 69 LEU HG H 1 1.551 0.020 . 1 . . . A 69 LEU HG . 18049 1 496 . 1 1 69 69 LEU HD11 H 1 0.733 0.020 . . . . . A 69 LEU HD11 . 18049 1 497 . 1 1 69 69 LEU HD12 H 1 0.733 0.020 . . . . . A 69 LEU HD12 . 18049 1 498 . 1 1 69 69 LEU HD13 H 1 0.733 0.020 . . . . . A 69 LEU HD13 . 18049 1 499 . 1 1 69 69 LEU HD21 H 1 0.835 0.020 . . . . . A 69 LEU HD21 . 18049 1 500 . 1 1 69 69 LEU HD22 H 1 0.835 0.020 . . . . . A 69 LEU HD22 . 18049 1 501 . 1 1 69 69 LEU HD23 H 1 0.835 0.020 . . . . . A 69 LEU HD23 . 18049 1 502 . 1 1 69 69 LEU CA C 13 54.429 0.400 . 1 . . . A 69 LEU CA . 18049 1 503 . 1 1 69 69 LEU CB C 13 39.790 0.400 . 1 . . . A 69 LEU CB . 18049 1 504 . 1 1 69 69 LEU CG C 13 24.470 0.400 . 1 . . . A 69 LEU CG . 18049 1 505 . 1 1 69 69 LEU CD1 C 13 20.310 0.400 . 2 . . . A 69 LEU CD1 . 18049 1 506 . 1 1 69 69 LEU CD2 C 13 23.070 0.400 . 2 . . . A 69 LEU CD2 . 18049 1 507 . 1 1 69 69 LEU N N 15 124.335 0.400 . 1 . . . A 69 LEU N . 18049 1 508 . 1 1 70 70 CYS H H 1 8.716 0.020 . 1 . . . A 70 CYS H . 18049 1 509 . 1 1 70 70 CYS HA H 1 4.336 0.020 . 1 . . . A 70 CYS HA . 18049 1 510 . 1 1 70 70 CYS HB2 H 1 1.562 0.020 . 2 . . . A 70 CYS HB2 . 18049 1 511 . 1 1 70 70 CYS HB3 H 1 1.861 0.020 . 2 . . . A 70 CYS HB3 . 18049 1 512 . 1 1 70 70 CYS CA C 13 53.145 0.400 . 1 . . . A 70 CYS CA . 18049 1 513 . 1 1 70 70 CYS CB C 13 29.863 0.400 . 1 . . . A 70 CYS CB . 18049 1 514 . 1 1 70 70 CYS N N 15 118.876 0.400 . 1 . . . A 70 CYS N . 18049 1 515 . 1 1 71 71 LYS H H 1 8.505 0.020 . 1 . . . A 71 LYS H . 18049 1 516 . 1 1 71 71 LYS HA H 1 4.167 0.020 . 1 . . . A 71 LYS HA . 18049 1 517 . 1 1 71 71 LYS HB2 H 1 2.150 0.020 . 2 . . . A 71 LYS HB2 . 18049 1 518 . 1 1 71 71 LYS HB3 H 1 2.250 0.020 . 2 . . . A 71 LYS HB3 . 18049 1 519 . 1 1 71 71 LYS HD2 H 1 1.748 0.020 . 2 . . . A 71 LYS HD2 . 18049 1 520 . 1 1 71 71 LYS HD3 H 1 2.027 0.020 . 2 . . . A 71 LYS HD3 . 18049 1 521 . 1 1 71 71 LYS CA C 13 53.835 0.400 . 1 . . . A 71 LYS CA . 18049 1 522 . 1 1 71 71 LYS CB C 13 33.520 0.400 . 1 . . . A 71 LYS CB . 18049 1 523 . 1 1 71 71 LYS CD C 13 27.180 0.400 . 1 . . . A 71 LYS CD . 18049 1 524 . 1 1 71 71 LYS N N 15 122.961 0.400 . 1 . . . A 71 LYS N . 18049 1 525 . 1 1 74 74 LYS CA C 13 56.238 0.400 . 1 . . . A 74 LYS CA . 18049 1 526 . 1 1 74 74 LYS CB C 13 31.243 0.400 . 1 . . . A 74 LYS CB . 18049 1 527 . 1 1 75 75 HIS H H 1 6.732 0.020 . 1 . . . A 75 HIS H . 18049 1 528 . 1 1 75 75 HIS HA H 1 4.460 0.020 . 1 . . . A 75 HIS HA . 18049 1 529 . 1 1 75 75 HIS HB2 H 1 2.940 0.020 . 1 . . . A 75 HIS HB2 . 18049 1 530 . 1 1 75 75 HIS HB3 H 1 2.940 0.020 . 1 . . . A 75 HIS HB3 . 18049 1 531 . 1 1 75 75 HIS HD2 H 1 6.810 0.020 . 1 . . . A 75 HIS HD2 . 18049 1 532 . 1 1 75 75 HIS CA C 13 52.255 0.400 . 1 . . . A 75 HIS CA . 18049 1 533 . 1 1 75 75 HIS CB C 13 28.700 0.400 . 1 . . . A 75 HIS CB . 18049 1 534 . 1 1 75 75 HIS N N 15 111.915 0.400 . 1 . . . A 75 HIS N . 18049 1 535 . 1 1 78 78 GLU H H 1 8.831 0.020 . 1 . . . A 78 GLU H . 18049 1 536 . 1 1 78 78 GLU HA H 1 4.010 0.020 . 1 . . . A 78 GLU HA . 18049 1 537 . 1 1 78 78 GLU HB2 H 1 1.870 0.020 . 2 . . . A 78 GLU HB2 . 18049 1 538 . 1 1 78 78 GLU HB3 H 1 1.940 0.020 . 2 . . . A 78 GLU HB3 . 18049 1 539 . 1 1 78 78 GLU HG2 H 1 2.240 0.020 . 1 . . . A 78 GLU HG2 . 18049 1 540 . 1 1 78 78 GLU HG3 H 1 2.240 0.020 . 1 . . . A 78 GLU HG3 . 18049 1 541 . 1 1 78 78 GLU CA C 13 56.480 0.400 . 1 . . . A 78 GLU CA . 18049 1 542 . 1 1 78 78 GLU CB C 13 34.350 0.400 . 1 . . . A 78 GLU CB . 18049 1 543 . 1 1 78 78 GLU CG C 13 34.350 0.400 . 1 . . . A 78 GLU CG . 18049 1 544 . 1 1 78 78 GLU N N 15 118.980 0.400 . 1 . . . A 78 GLU N . 18049 1 545 . 1 1 81 81 PRO HA H 1 4.280 0.020 . 1 . . . A 81 PRO HA . 18049 1 546 . 1 1 81 81 PRO HB2 H 1 1.800 0.020 . 2 . . . A 81 PRO HB2 . 18049 1 547 . 1 1 81 81 PRO HB3 H 1 2.094 0.020 . 2 . . . A 81 PRO HB3 . 18049 1 548 . 1 1 81 81 PRO CA C 13 61.512 0.400 . 1 . . . A 81 PRO CA . 18049 1 549 . 1 1 81 81 PRO CB C 13 29.514 0.400 . 1 . . . A 81 PRO CB . 18049 1 550 . 1 1 82 82 SER H H 1 8.684 0.020 . 1 . . . A 82 SER H . 18049 1 551 . 1 1 82 82 SER HA H 1 4.105 0.020 . 1 . . . A 82 SER HA . 18049 1 552 . 1 1 82 82 SER HB2 H 1 3.826 0.020 . 1 . . . A 82 SER HB2 . 18049 1 553 . 1 1 82 82 SER HB3 H 1 3.826 0.020 . 1 . . . A 82 SER HB3 . 18049 1 554 . 1 1 82 82 SER CA C 13 58.317 0.400 . 1 . . . A 82 SER CA . 18049 1 555 . 1 1 82 82 SER CB C 13 60.104 0.400 . 1 . . . A 82 SER CB . 18049 1 556 . 1 1 82 82 SER N N 15 116.172 0.400 . 1 . . . A 82 SER N . 18049 1 557 . 1 1 83 83 ILE H H 1 7.424 0.020 . 1 . . . A 83 ILE H . 18049 1 558 . 1 1 83 83 ILE CA C 13 59.168 0.400 . 1 . . . A 83 ILE CA . 18049 1 559 . 1 1 83 83 ILE CB C 13 38.482 0.400 . 1 . . . A 83 ILE CB . 18049 1 560 . 1 1 83 83 ILE N N 15 118.847 0.400 . 1 . . . A 83 ILE N . 18049 1 561 . 1 1 84 84 TRP H H 1 8.131 0.020 . 1 . . . A 84 TRP H . 18049 1 562 . 1 1 84 84 TRP CA C 13 54.593 0.400 . 1 . . . A 84 TRP CA . 18049 1 563 . 1 1 84 84 TRP CB C 13 25.868 0.400 . 1 . . . A 84 TRP CB . 18049 1 564 . 1 1 84 84 TRP N N 15 115.140 0.400 . 1 . . . A 84 TRP N . 18049 1 565 . 1 1 85 85 ARG H H 1 7.884 0.020 . 1 . . . A 85 ARG H . 18049 1 566 . 1 1 85 85 ARG CA C 13 51.218 0.400 . 1 . . . A 85 ARG CA . 18049 1 567 . 1 1 85 85 ARG CB C 13 29.330 0.400 . 1 . . . A 85 ARG CB . 18049 1 568 . 1 1 85 85 ARG N N 15 118.936 0.400 . 1 . . . A 85 ARG N . 18049 1 569 . 1 1 86 86 ALA HA H 1 3.970 0.020 . 1 . . . A 86 ALA HA . 18049 1 570 . 1 1 86 86 ALA HB1 H 1 1.130 0.020 . . . . . A 86 ALA HB1 . 18049 1 571 . 1 1 86 86 ALA HB2 H 1 1.130 0.020 . . . . . A 86 ALA HB2 . 18049 1 572 . 1 1 86 86 ALA HB3 H 1 1.130 0.020 . . . . . A 86 ALA HB3 . 18049 1 573 . 1 1 86 86 ALA CA C 13 50.020 0.400 . 1 . . . A 86 ALA CA . 18049 1 574 . 1 1 86 86 ALA CB C 13 16.400 0.400 . 1 . . . A 86 ALA CB . 18049 1 575 . 1 1 87 87 TYR H H 1 7.733 0.020 . 1 . . . A 87 TYR H . 18049 1 576 . 1 1 87 87 TYR HA H 1 4.456 0.020 . 1 . . . A 87 TYR HA . 18049 1 577 . 1 1 87 87 TYR HB2 H 1 2.406 0.020 . 2 . . . A 87 TYR HB2 . 18049 1 578 . 1 1 87 87 TYR HB3 H 1 2.884 0.020 . 2 . . . A 87 TYR HB3 . 18049 1 579 . 1 1 87 87 TYR CA C 13 54.928 0.400 . 1 . . . A 87 TYR CA . 18049 1 580 . 1 1 87 87 TYR CB C 13 40.012 0.400 . 1 . . . A 87 TYR CB . 18049 1 581 . 1 1 87 87 TYR N N 15 117.965 0.400 . 1 . . . A 87 TYR N . 18049 1 582 . 1 1 89 89 LEU CA C 13 55.641 0.400 . 1 . . . A 89 LEU CA . 18049 1 583 . 1 1 89 89 LEU CB C 13 36.799 0.400 . 1 . . . A 89 LEU CB . 18049 1 584 . 1 1 90 90 VAL H H 1 8.944 0.020 . 1 . . . A 90 VAL H . 18049 1 585 . 1 1 90 90 VAL CA C 13 59.110 0.400 . 1 . . . A 90 VAL CA . 18049 1 586 . 1 1 90 90 VAL CB C 13 30.127 0.400 . 1 . . . A 90 VAL CB . 18049 1 587 . 1 1 90 90 VAL N N 15 118.969 0.400 . 1 . . . A 90 VAL N . 18049 1 588 . 1 1 91 91 ASP H H 1 8.320 0.020 . 1 . . . A 91 ASP H . 18049 1 589 . 1 1 91 91 ASP CA C 13 49.968 0.400 . 1 . . . A 91 ASP CA . 18049 1 590 . 1 1 91 91 ASP CB C 13 38.862 0.400 . 1 . . . A 91 ASP CB . 18049 1 591 . 1 1 91 91 ASP N N 15 127.947 0.400 . 1 . . . A 91 ASP N . 18049 1 592 . 1 1 92 92 ASP CA C 13 52.018 0.400 . 1 . . . A 92 ASP CA . 18049 1 593 . 1 1 92 92 ASP CB C 13 38.447 0.400 . 1 . . . A 92 ASP CB . 18049 1 594 . 1 1 93 93 ASN H H 1 8.396 0.020 . 1 . . . A 93 ASN H . 18049 1 595 . 1 1 93 93 ASN CA C 13 51.153 0.400 . 1 . . . A 93 ASN CA . 18049 1 596 . 1 1 93 93 ASN CB C 13 36.371 0.400 . 1 . . . A 93 ASN CB . 18049 1 597 . 1 1 93 93 ASN N N 15 118.727 0.400 . 1 . . . A 93 ASN N . 18049 1 598 . 1 1 94 94 GLU H H 1 8.266 0.020 . 1 . . . A 94 GLU H . 18049 1 599 . 1 1 94 94 GLU CA C 13 54.389 0.400 . 1 . . . A 94 GLU CA . 18049 1 600 . 1 1 94 94 GLU CB C 13 27.270 0.400 . 1 . . . A 94 GLU CB . 18049 1 601 . 1 1 94 94 GLU N N 15 120.824 0.400 . 1 . . . A 94 GLU N . 18049 1 602 . 1 1 95 95 LYS H H 1 8.055 0.020 . 1 . . . A 95 LYS H . 18049 1 603 . 1 1 95 95 LYS HA H 1 4.156 0.020 . 1 . . . A 95 LYS HA . 18049 1 604 . 1 1 95 95 LYS HB2 H 1 1.615 0.020 . 2 . . . A 95 LYS HB2 . 18049 1 605 . 1 1 95 95 LYS HB3 H 1 1.712 0.020 . 2 . . . A 95 LYS HB3 . 18049 1 606 . 1 1 95 95 LYS CA C 13 53.841 0.400 . 1 . . . A 95 LYS CA . 18049 1 607 . 1 1 95 95 LYS CB C 13 30.173 0.400 . 1 . . . A 95 LYS CB . 18049 1 608 . 1 1 95 95 LYS N N 15 121.079 0.400 . 1 . . . A 95 LYS N . 18049 1 609 . 1 1 96 96 ALA H H 1 8.053 0.020 . 1 . . . A 96 ALA H . 18049 1 610 . 1 1 96 96 ALA HA H 1 4.202 0.020 . 1 . . . A 96 ALA HA . 18049 1 611 . 1 1 96 96 ALA HB1 H 1 1.271 0.020 . . . . . A 96 ALA HB1 . 18049 1 612 . 1 1 96 96 ALA HB2 H 1 1.271 0.020 . . . . . A 96 ALA HB2 . 18049 1 613 . 1 1 96 96 ALA HB3 H 1 1.271 0.020 . . . . . A 96 ALA HB3 . 18049 1 614 . 1 1 96 96 ALA CA C 13 49.727 0.400 . 1 . . . A 96 ALA CA . 18049 1 615 . 1 1 96 96 ALA CB C 13 16.752 0.400 . 1 . . . A 96 ALA CB . 18049 1 616 . 1 1 96 96 ALA N N 15 124.103 0.400 . 1 . . . A 96 ALA N . 18049 1 617 . 1 1 97 97 LYS H H 1 8.091 0.020 . 1 . . . A 97 LYS H . 18049 1 618 . 1 1 97 97 LYS HA H 1 4.885 0.020 . 1 . . . A 97 LYS HA . 18049 1 619 . 1 1 97 97 LYS CA C 13 51.459 0.400 . 1 . . . A 97 LYS CA . 18049 1 620 . 1 1 97 97 LYS N N 15 121.893 0.400 . 1 . . . A 97 LYS N . 18049 1 621 . 1 1 98 98 PRO HA H 1 4.436 0.020 . 1 . . . A 98 PRO HA . 18049 1 622 . 1 1 98 98 PRO HB2 H 1 1.770 0.020 . 2 . . . A 98 PRO HB2 . 18049 1 623 . 1 1 98 98 PRO HB3 H 1 1.487 0.020 . 2 . . . A 98 PRO HB3 . 18049 1 624 . 1 1 98 98 PRO CA C 13 60.025 0.400 . 1 . . . A 98 PRO CA . 18049 1 625 . 1 1 98 98 PRO CB C 13 29.542 0.400 . 1 . . . A 98 PRO CB . 18049 1 626 . 1 1 99 99 LYS H H 1 8.241 0.020 . 1 . . . A 99 LYS H . 18049 1 627 . 1 1 99 99 LYS HA H 1 4.365 0.020 . 1 . . . A 99 LYS HA . 18049 1 628 . 1 1 99 99 LYS HB2 H 1 2.523 0.020 . 2 . . . A 99 LYS HB2 . 18049 1 629 . 1 1 99 99 LYS HB3 H 1 2.265 0.020 . 2 . . . A 99 LYS HB3 . 18049 1 630 . 1 1 99 99 LYS HD2 H 1 1.953 0.020 . 2 . . . A 99 LYS HD2 . 18049 1 631 . 1 1 99 99 LYS HD3 H 1 2.110 0.020 . 2 . . . A 99 LYS HD3 . 18049 1 632 . 1 1 99 99 LYS CA C 13 52.659 0.400 . 1 . . . A 99 LYS CA . 18049 1 633 . 1 1 99 99 LYS CB C 13 31.973 0.400 . 1 . . . A 99 LYS CB . 18049 1 634 . 1 1 99 99 LYS CD C 13 28.029 0.400 . 1 . . . A 99 LYS CD . 18049 1 635 . 1 1 99 99 LYS N N 15 121.497 0.400 . 1 . . . A 99 LYS N . 18049 1 636 . 1 1 102 102 PRO HA H 1 4.267 0.020 . 1 . . . A 102 PRO HA . 18049 1 637 . 1 1 102 102 PRO HB2 H 1 1.511 0.020 . 2 . . . A 102 PRO HB2 . 18049 1 638 . 1 1 102 102 PRO HB3 H 1 1.764 0.020 . 2 . . . A 102 PRO HB3 . 18049 1 639 . 1 1 102 102 PRO CA C 13 61.403 0.400 . 1 . . . A 102 PRO CA . 18049 1 640 . 1 1 102 102 PRO CB C 13 29.457 0.400 . 1 . . . A 102 PRO CB . 18049 1 641 . 1 1 103 103 PHE H H 1 8.675 0.020 . 1 . . . A 103 PHE H . 18049 1 642 . 1 1 103 103 PHE CA C 13 56.059 0.400 . 1 . . . A 103 PHE CA . 18049 1 643 . 1 1 103 103 PHE N N 15 118.755 0.400 . 1 . . . A 103 PHE N . 18049 1 644 . 1 1 105 105 THR HA H 1 4.630 0.020 . 1 . . . A 105 THR HA . 18049 1 645 . 1 1 105 105 THR HB H 1 4.646 0.020 . 1 . . . A 105 THR HB . 18049 1 646 . 1 1 105 105 THR CA C 13 59.356 0.400 . 1 . . . A 105 THR CA . 18049 1 647 . 1 1 105 105 THR CB C 13 67.299 0.400 . 1 . . . A 105 THR CB . 18049 1 648 . 1 1 106 106 ILE H H 1 7.833 0.020 . 1 . . . A 106 ILE H . 18049 1 649 . 1 1 106 106 ILE HA H 1 4.631 0.020 . 1 . . . A 106 ILE HA . 18049 1 650 . 1 1 106 106 ILE CA C 13 57.730 0.400 . 1 . . . A 106 ILE CA . 18049 1 651 . 1 1 106 106 ILE CB C 13 36.907 0.400 . 1 . . . A 106 ILE CB . 18049 1 652 . 1 1 106 106 ILE N N 15 124.035 0.400 . 1 . . . A 106 ILE N . 18049 1 653 . 1 1 107 107 TYR H H 1 8.925 0.020 . 1 . . . A 107 TYR H . 18049 1 654 . 1 1 107 107 TYR HA H 1 4.540 0.020 . 1 . . . A 107 TYR HA . 18049 1 655 . 1 1 107 107 TYR HB2 H 1 2.950 0.020 . 2 . . . A 107 TYR HB2 . 18049 1 656 . 1 1 107 107 TYR HB3 H 1 3.390 0.020 . 2 . . . A 107 TYR HB3 . 18049 1 657 . 1 1 107 107 TYR HD1 H 1 7.190 0.020 . 1 . . . A 107 TYR HD1 . 18049 1 658 . 1 1 107 107 TYR HD2 H 1 7.190 0.020 . 1 . . . A 107 TYR HD2 . 18049 1 659 . 1 1 107 107 TYR HE1 H 1 6.620 0.020 . 1 . . . A 107 TYR HE1 . 18049 1 660 . 1 1 107 107 TYR HE2 H 1 6.620 0.020 . 1 . . . A 107 TYR HE2 . 18049 1 661 . 1 1 107 107 TYR CA C 13 55.828 0.400 . 1 . . . A 107 TYR CA . 18049 1 662 . 1 1 107 107 TYR CB C 13 37.240 0.400 . 1 . . . A 107 TYR CB . 18049 1 663 . 1 1 107 107 TYR N N 15 118.339 0.400 . 1 . . . A 107 TYR N . 18049 1 664 . 1 1 108 108 CYS H H 1 8.335 0.020 . 1 . . . A 108 CYS H . 18049 1 665 . 1 1 108 108 CYS HA H 1 4.120 0.020 . 1 . . . A 108 CYS HA . 18049 1 666 . 1 1 108 108 CYS HB2 H 1 1.950 0.020 . 2 . . . A 108 CYS HB2 . 18049 1 667 . 1 1 108 108 CYS HB3 H 1 2.855 0.020 . 2 . . . A 108 CYS HB3 . 18049 1 668 . 1 1 108 108 CYS CA C 13 55.950 0.400 . 1 . . . A 108 CYS CA . 18049 1 669 . 1 1 108 108 CYS CB C 13 27.900 0.400 . 1 . . . A 108 CYS CB . 18049 1 670 . 1 1 108 108 CYS N N 15 130.380 0.400 . 1 . . . A 108 CYS N . 18049 1 671 . 1 1 109 109 TYR H H 1 8.011 0.020 . 1 . . . A 109 TYR H . 18049 1 672 . 1 1 109 109 TYR HA H 1 4.400 0.020 . 1 . . . A 109 TYR HA . 18049 1 673 . 1 1 109 109 TYR HB2 H 1 2.930 0.020 . 2 . . . A 109 TYR HB2 . 18049 1 674 . 1 1 109 109 TYR HB3 H 1 3.350 0.020 . 2 . . . A 109 TYR HB3 . 18049 1 675 . 1 1 109 109 TYR HD1 H 1 7.070 0.020 . 1 . . . A 109 TYR HD1 . 18049 1 676 . 1 1 109 109 TYR HD2 H 1 7.070 0.020 . 1 . . . A 109 TYR HD2 . 18049 1 677 . 1 1 109 109 TYR CA C 13 56.270 0.400 . 1 . . . A 109 TYR CA . 18049 1 678 . 1 1 109 109 TYR CB C 13 34.500 0.400 . 1 . . . A 109 TYR CB . 18049 1 679 . 1 1 109 109 TYR N N 15 126.618 0.400 . 1 . . . A 109 TYR N . 18049 1 680 . 1 1 110 110 ASN H H 1 9.284 0.020 . 1 . . . A 110 ASN H . 18049 1 681 . 1 1 110 110 ASN HA H 1 4.802 0.020 . 1 . . . A 110 ASN HA . 18049 1 682 . 1 1 110 110 ASN HB2 H 1 2.364 0.020 . 2 . . . A 110 ASN HB2 . 18049 1 683 . 1 1 110 110 ASN HB3 H 1 2.860 0.020 . 2 . . . A 110 ASN HB3 . 18049 1 684 . 1 1 110 110 ASN CA C 13 53.569 0.400 . 1 . . . A 110 ASN CA . 18049 1 685 . 1 1 110 110 ASN CB C 13 37.922 0.400 . 1 . . . A 110 ASN CB . 18049 1 686 . 1 1 110 110 ASN N N 15 125.398 0.400 . 1 . . . A 110 ASN N . 18049 1 687 . 1 1 111 111 CYS H H 1 9.171 0.020 . 1 . . . A 111 CYS H . 18049 1 688 . 1 1 111 111 CYS HA H 1 4.910 0.020 . 1 . . . A 111 CYS HA . 18049 1 689 . 1 1 111 111 CYS HB2 H 1 2.520 0.020 . 2 . . . A 111 CYS HB2 . 18049 1 690 . 1 1 111 111 CYS HB3 H 1 3.240 0.020 . 2 . . . A 111 CYS HB3 . 18049 1 691 . 1 1 111 111 CYS CA C 13 55.986 0.400 . 1 . . . A 111 CYS CA . 18049 1 692 . 1 1 111 111 CYS CB C 13 30.172 0.400 . 1 . . . A 111 CYS CB . 18049 1 693 . 1 1 111 111 CYS N N 15 118.921 0.400 . 1 . . . A 111 CYS N . 18049 1 694 . 1 1 112 112 GLY H H 1 7.840 0.020 . 1 . . . A 112 GLY H . 18049 1 695 . 1 1 112 112 GLY HA2 H 1 3.750 0.020 . 2 . . . A 112 GLY HA2 . 18049 1 696 . 1 1 112 112 GLY HA3 H 1 4.030 0.020 . 2 . . . A 112 GLY HA3 . 18049 1 697 . 1 1 112 112 GLY CA C 13 43.281 0.400 . 1 . . . A 112 GLY CA . 18049 1 698 . 1 1 112 112 GLY N N 15 114.064 0.400 . 1 . . . A 112 GLY N . 18049 1 699 . 1 1 113 113 GLY H H 1 9.023 0.020 . 1 . . . A 113 GLY H . 18049 1 700 . 1 1 113 113 GLY HA2 H 1 4.013 0.020 . 2 . . . A 113 GLY HA2 . 18049 1 701 . 1 1 113 113 GLY HA3 H 1 3.510 0.020 . 2 . . . A 113 GLY HA3 . 18049 1 702 . 1 1 113 113 GLY CA C 13 41.193 0.400 . 1 . . . A 113 GLY CA . 18049 1 703 . 1 1 113 113 GLY N N 15 112.541 0.400 . 1 . . . A 113 GLY N . 18049 1 704 . 1 1 114 114 LYS H H 1 8.200 0.020 . 1 . . . A 114 LYS H . 18049 1 705 . 1 1 114 114 LYS HA H 1 4.260 0.020 . 1 . . . A 114 LYS HA . 18049 1 706 . 1 1 114 114 LYS HB2 H 1 1.370 0.020 . 2 . . . A 114 LYS HB2 . 18049 1 707 . 1 1 114 114 LYS HB3 H 1 1.490 0.020 . 2 . . . A 114 LYS HB3 . 18049 1 708 . 1 1 114 114 LYS HG2 H 1 0.994 0.020 . 1 . . . A 114 LYS HG2 . 18049 1 709 . 1 1 114 114 LYS HG3 H 1 0.994 0.020 . 1 . . . A 114 LYS HG3 . 18049 1 710 . 1 1 114 114 LYS CA C 13 52.750 0.400 . 1 . . . A 114 LYS CA . 18049 1 711 . 1 1 114 114 LYS CB C 13 31.680 0.400 . 1 . . . A 114 LYS CB . 18049 1 712 . 1 1 114 114 LYS CG C 13 22.310 0.400 . 1 . . . A 114 LYS CG . 18049 1 713 . 1 1 114 114 LYS N N 15 119.130 0.400 . 1 . . . A 114 LYS N . 18049 1 714 . 1 1 115 115 GLY H H 1 8.501 0.020 . 1 . . . A 115 GLY H . 18049 1 715 . 1 1 115 115 GLY HA2 H 1 3.510 0.020 . 2 . . . A 115 GLY HA2 . 18049 1 716 . 1 1 115 115 GLY HA3 H 1 4.070 0.020 . 2 . . . A 115 GLY HA3 . 18049 1 717 . 1 1 115 115 GLY CA C 13 43.073 0.400 . 1 . . . A 115 GLY CA . 18049 1 718 . 1 1 115 115 GLY N N 15 108.864 0.400 . 1 . . . A 115 GLY N . 18049 1 719 . 1 1 116 116 HIS H H 1 6.665 0.020 . 1 . . . A 116 HIS H . 18049 1 720 . 1 1 116 116 HIS HA H 1 4.431 0.020 . 1 . . . A 116 HIS HA . 18049 1 721 . 1 1 116 116 HIS HB2 H 1 2.964 0.020 . 2 . . . A 116 HIS HB2 . 18049 1 722 . 1 1 116 116 HIS HB3 H 1 3.090 0.020 . 2 . . . A 116 HIS HB3 . 18049 1 723 . 1 1 116 116 HIS HD1 H 1 6.934 0.020 . 1 . . . A 116 HIS HD1 . 18049 1 724 . 1 1 116 116 HIS HE1 H 1 7.770 0.020 . 1 . . . A 116 HIS HE1 . 18049 1 725 . 1 1 116 116 HIS CA C 13 52.400 0.400 . 1 . . . A 116 HIS CA . 18049 1 726 . 1 1 116 116 HIS CB C 13 27.530 0.400 . 1 . . . A 116 HIS CB . 18049 1 727 . 1 1 116 116 HIS N N 15 113.173 0.400 . 1 . . . A 116 HIS N . 18049 1 728 . 1 1 117 117 PHE H H 1 8.529 0.020 . 1 . . . A 117 PHE H . 18049 1 729 . 1 1 117 117 PHE HA H 1 4.680 0.020 . 1 . . . A 117 PHE HA . 18049 1 730 . 1 1 117 117 PHE HB2 H 1 2.840 0.020 . 2 . . . A 117 PHE HB2 . 18049 1 731 . 1 1 117 117 PHE HB3 H 1 3.320 0.020 . 2 . . . A 117 PHE HB3 . 18049 1 732 . 1 1 117 117 PHE CA C 13 54.084 0.400 . 1 . . . A 117 PHE CA . 18049 1 733 . 1 1 117 117 PHE CB C 13 38.264 0.400 . 1 . . . A 117 PHE CB . 18049 1 734 . 1 1 117 117 PHE N N 15 116.353 0.400 . 1 . . . A 117 PHE N . 18049 1 735 . 1 1 118 118 GLY H H 1 8.870 0.020 . 1 . . . A 118 GLY H . 18049 1 736 . 1 1 118 118 GLY HA2 H 1 4.640 0.020 . 2 . . . A 118 GLY HA2 . 18049 1 737 . 1 1 118 118 GLY HA3 H 1 4.640 0.020 . 2 . . . A 118 GLY HA3 . 18049 1 738 . 1 1 118 118 GLY CA C 13 45.361 0.400 . 1 . . . A 118 GLY CA . 18049 1 739 . 1 1 118 118 GLY N N 15 108.977 0.400 . 1 . . . A 118 GLY N . 18049 1 740 . 1 1 119 119 ASP H H 1 7.892 0.020 . 1 . . . A 119 ASP H . 18049 1 741 . 1 1 119 119 ASP HA H 1 4.344 0.020 . 1 . . . A 119 ASP HA . 18049 1 742 . 1 1 119 119 ASP HB2 H 1 2.468 0.020 . 2 . . . A 119 ASP HB2 . 18049 1 743 . 1 1 119 119 ASP HB3 H 1 2.698 0.020 . 2 . . . A 119 ASP HB3 . 18049 1 744 . 1 1 119 119 ASP CA C 13 53.504 0.400 . 1 . . . A 119 ASP CA . 18049 1 745 . 1 1 119 119 ASP CB C 13 37.810 0.400 . 1 . . . A 119 ASP CB . 18049 1 746 . 1 1 119 119 ASP N N 15 117.997 0.400 . 1 . . . A 119 ASP N . 18049 1 747 . 1 1 120 120 ASP H H 1 7.730 0.020 . 1 . . . A 120 ASP H . 18049 1 748 . 1 1 120 120 ASP HA H 1 4.855 0.020 . 1 . . . A 120 ASP HA . 18049 1 749 . 1 1 120 120 ASP HB2 H 1 2.406 0.020 . 2 . . . A 120 ASP HB2 . 18049 1 750 . 1 1 120 120 ASP HB3 H 1 2.886 0.020 . 2 . . . A 120 ASP HB3 . 18049 1 751 . 1 1 120 120 ASP CA C 13 50.685 0.400 . 1 . . . A 120 ASP CA . 18049 1 752 . 1 1 120 120 ASP CB C 13 40.199 0.400 . 1 . . . A 120 ASP CB . 18049 1 753 . 1 1 120 120 ASP N N 15 116.782 0.400 . 1 . . . A 120 ASP N . 18049 1 754 . 1 1 121 121 CYS H H 1 7.667 0.020 . 1 . . . A 121 CYS H . 18049 1 755 . 1 1 121 121 CYS HA H 1 4.780 0.020 . 1 . . . A 121 CYS HA . 18049 1 756 . 1 1 121 121 CYS HB2 H 1 3.010 0.020 . 2 . . . A 121 CYS HB2 . 18049 1 757 . 1 1 121 121 CYS HB3 H 1 3.440 0.020 . 2 . . . A 121 CYS HB3 . 18049 1 758 . 1 1 121 121 CYS CA C 13 56.067 0.400 . 1 . . . A 121 CYS CA . 18049 1 759 . 1 1 121 121 CYS CB C 13 28.200 0.400 . 1 . . . A 121 CYS CB . 18049 1 760 . 1 1 121 121 CYS N N 15 125.836 0.400 . 1 . . . A 121 CYS N . 18049 1 stop_ save_