################################### # 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10247 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10247 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10247 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 9 9 HIS HA H 1 4.627 0.030 . 1 . . . . 9 HIS HA . 10247 1 2 . 1 1 9 9 HIS HB2 H 1 3.140 0.030 . 2 . . . . 9 HIS HB2 . 10247 1 3 . 1 1 9 9 HIS HB3 H 1 3.080 0.030 . 2 . . . . 9 HIS HB3 . 10247 1 4 . 1 1 9 9 HIS HD2 H 1 7.023 0.030 . 1 . . . . 9 HIS HD2 . 10247 1 5 . 1 1 9 9 HIS C C 13 175.239 0.300 . 1 . . . . 9 HIS C . 10247 1 6 . 1 1 9 9 HIS CA C 13 56.347 0.300 . 1 . . . . 9 HIS CA . 10247 1 7 . 1 1 9 9 HIS CB C 13 30.681 0.300 . 1 . . . . 9 HIS CB . 10247 1 8 . 1 1 9 9 HIS CD2 C 13 119.908 0.300 . 1 . . . . 9 HIS CD2 . 10247 1 9 . 1 1 10 10 GLN H H 1 8.313 0.030 . 1 . . . . 10 GLN H . 10247 1 10 . 1 1 10 10 GLN HA H 1 4.323 0.030 . 1 . . . . 10 GLN HA . 10247 1 11 . 1 1 10 10 GLN HB2 H 1 2.063 0.030 . 2 . . . . 10 GLN HB2 . 10247 1 12 . 1 1 10 10 GLN HB3 H 1 1.939 0.030 . 2 . . . . 10 GLN HB3 . 10247 1 13 . 1 1 10 10 GLN HE21 H 1 7.505 0.030 . 2 . . . . 10 GLN HE21 . 10247 1 14 . 1 1 10 10 GLN HE22 H 1 6.833 0.030 . 2 . . . . 10 GLN HE22 . 10247 1 15 . 1 1 10 10 GLN HG2 H 1 2.300 0.030 . 1 . . . . 10 GLN HG2 . 10247 1 16 . 1 1 10 10 GLN HG3 H 1 2.300 0.030 . 1 . . . . 10 GLN HG3 . 10247 1 17 . 1 1 10 10 GLN C C 13 175.703 0.300 . 1 . . . . 10 GLN C . 10247 1 18 . 1 1 10 10 GLN CA C 13 55.875 0.300 . 1 . . . . 10 GLN CA . 10247 1 19 . 1 1 10 10 GLN CB C 13 29.726 0.300 . 1 . . . . 10 GLN CB . 10247 1 20 . 1 1 10 10 GLN CG C 13 33.773 0.300 . 1 . . . . 10 GLN CG . 10247 1 21 . 1 1 10 10 GLN N N 15 122.031 0.300 . 1 . . . . 10 GLN N . 10247 1 22 . 1 1 10 10 GLN NE2 N 15 112.337 0.300 . 1 . . . . 10 GLN NE2 . 10247 1 23 . 1 1 11 11 GLU H H 1 8.546 0.030 . 1 . . . . 11 GLU H . 10247 1 24 . 1 1 11 11 GLU HA H 1 4.275 0.030 . 1 . . . . 11 GLU HA . 10247 1 25 . 1 1 11 11 GLU HB2 H 1 2.069 0.030 . 2 . . . . 11 GLU HB2 . 10247 1 26 . 1 1 11 11 GLU HB3 H 1 1.941 0.030 . 2 . . . . 11 GLU HB3 . 10247 1 27 . 1 1 11 11 GLU HG2 H 1 2.290 0.030 . 1 . . . . 11 GLU HG2 . 10247 1 28 . 1 1 11 11 GLU HG3 H 1 2.290 0.030 . 1 . . . . 11 GLU HG3 . 10247 1 29 . 1 1 11 11 GLU C C 13 176.303 0.300 . 1 . . . . 11 GLU C . 10247 1 30 . 1 1 11 11 GLU CA C 13 56.472 0.300 . 1 . . . . 11 GLU CA . 10247 1 31 . 1 1 11 11 GLU CB C 13 30.303 0.300 . 1 . . . . 11 GLU CB . 10247 1 32 . 1 1 11 11 GLU CG C 13 36.218 0.300 . 1 . . . . 11 GLU CG . 10247 1 33 . 1 1 11 11 GLU N N 15 122.648 0.300 . 1 . . . . 11 GLU N . 10247 1 34 . 1 1 12 12 ALA H H 1 8.403 0.030 . 1 . . . . 12 ALA H . 10247 1 35 . 1 1 12 12 ALA HA H 1 4.288 0.030 . 1 . . . . 12 ALA HA . 10247 1 36 . 1 1 12 12 ALA HB1 H 1 1.367 0.030 . 1 . . . . 12 ALA HB . 10247 1 37 . 1 1 12 12 ALA HB2 H 1 1.367 0.030 . 1 . . . . 12 ALA HB . 10247 1 38 . 1 1 12 12 ALA HB3 H 1 1.367 0.030 . 1 . . . . 12 ALA HB . 10247 1 39 . 1 1 12 12 ALA C C 13 178.231 0.300 . 1 . . . . 12 ALA C . 10247 1 40 . 1 1 12 12 ALA CA C 13 52.759 0.300 . 1 . . . . 12 ALA CA . 10247 1 41 . 1 1 12 12 ALA CB C 13 19.237 0.300 . 1 . . . . 12 ALA CB . 10247 1 42 . 1 1 12 12 ALA N N 15 125.516 0.300 . 1 . . . . 12 ALA N . 10247 1 43 . 1 1 13 13 GLY H H 1 8.490 0.030 . 1 . . . . 13 GLY H . 10247 1 44 . 1 1 13 13 GLY HA2 H 1 3.994 0.030 . 2 . . . . 13 GLY HA2 . 10247 1 45 . 1 1 13 13 GLY HA3 H 1 3.890 0.030 . 2 . . . . 13 GLY HA3 . 10247 1 46 . 1 1 13 13 GLY C C 13 174.176 0.300 . 1 . . . . 13 GLY C . 10247 1 47 . 1 1 13 13 GLY CA C 13 45.094 0.300 . 1 . . . . 13 GLY CA . 10247 1 48 . 1 1 13 13 GLY N N 15 108.839 0.300 . 1 . . . . 13 GLY N . 10247 1 49 . 1 1 14 14 ALA H H 1 8.172 0.030 . 1 . . . . 14 ALA H . 10247 1 50 . 1 1 14 14 ALA HA H 1 4.246 0.030 . 1 . . . . 14 ALA HA . 10247 1 51 . 1 1 14 14 ALA HB1 H 1 1.367 0.030 . 1 . . . . 14 ALA HB . 10247 1 52 . 1 1 14 14 ALA HB2 H 1 1.367 0.030 . 1 . . . . 14 ALA HB . 10247 1 53 . 1 1 14 14 ALA HB3 H 1 1.367 0.030 . 1 . . . . 14 ALA HB . 10247 1 54 . 1 1 14 14 ALA C C 13 178.304 0.300 . 1 . . . . 14 ALA C . 10247 1 55 . 1 1 14 14 ALA CA C 13 52.988 0.300 . 1 . . . . 14 ALA CA . 10247 1 56 . 1 1 14 14 ALA CB C 13 19.228 0.300 . 1 . . . . 14 ALA CB . 10247 1 57 . 1 1 14 14 ALA N N 15 123.459 0.300 . 1 . . . . 14 ALA N . 10247 1 58 . 1 1 15 15 GLY H H 1 8.329 0.030 . 1 . . . . 15 GLY H . 10247 1 59 . 1 1 15 15 GLY HA2 H 1 3.578 0.030 . 1 . . . . 15 GLY HA2 . 10247 1 60 . 1 1 15 15 GLY HA3 H 1 3.578 0.030 . 1 . . . . 15 GLY HA3 . 10247 1 61 . 1 1 15 15 GLY C C 13 173.577 0.300 . 1 . . . . 15 GLY C . 10247 1 62 . 1 1 15 15 GLY CA C 13 45.128 0.300 . 1 . . . . 15 GLY CA . 10247 1 63 . 1 1 15 15 GLY N N 15 107.276 0.300 . 1 . . . . 15 GLY N . 10247 1 64 . 1 1 16 16 ASP H H 1 7.898 0.030 . 1 . . . . 16 ASP H . 10247 1 65 . 1 1 16 16 ASP HA H 1 4.547 0.030 . 1 . . . . 16 ASP HA . 10247 1 66 . 1 1 16 16 ASP HB2 H 1 2.462 0.030 . 1 . . . . 16 ASP HB2 . 10247 1 67 . 1 1 16 16 ASP HB3 H 1 2.462 0.030 . 1 . . . . 16 ASP HB3 . 10247 1 68 . 1 1 16 16 ASP C C 13 174.898 0.300 . 1 . . . . 16 ASP C . 10247 1 69 . 1 1 16 16 ASP CA C 13 54.344 0.300 . 1 . . . . 16 ASP CA . 10247 1 70 . 1 1 16 16 ASP CB C 13 41.534 0.300 . 1 . . . . 16 ASP CB . 10247 1 71 . 1 1 16 16 ASP N N 15 118.642 0.300 . 1 . . . . 16 ASP N . 10247 1 72 . 1 1 17 17 LEU H H 1 7.822 0.030 . 1 . . . . 17 LEU H . 10247 1 73 . 1 1 17 17 LEU HA H 1 4.446 0.030 . 1 . . . . 17 LEU HA . 10247 1 74 . 1 1 17 17 LEU HB2 H 1 1.452 0.030 . 2 . . . . 17 LEU HB2 . 10247 1 75 . 1 1 17 17 LEU HB3 H 1 0.967 0.030 . 2 . . . . 17 LEU HB3 . 10247 1 76 . 1 1 17 17 LEU HD11 H 1 0.746 0.030 . 1 . . . . 17 LEU HD1 . 10247 1 77 . 1 1 17 17 LEU HD12 H 1 0.746 0.030 . 1 . . . . 17 LEU HD1 . 10247 1 78 . 1 1 17 17 LEU HD13 H 1 0.746 0.030 . 1 . . . . 17 LEU HD1 . 10247 1 79 . 1 1 17 17 LEU HD21 H 1 0.445 0.030 . 1 . . . . 17 LEU HD2 . 10247 1 80 . 1 1 17 17 LEU HD22 H 1 0.445 0.030 . 1 . . . . 17 LEU HD2 . 10247 1 81 . 1 1 17 17 LEU HD23 H 1 0.445 0.030 . 1 . . . . 17 LEU HD2 . 10247 1 82 . 1 1 17 17 LEU HG H 1 1.406 0.030 . 1 . . . . 17 LEU HG . 10247 1 83 . 1 1 17 17 LEU C C 13 175.902 0.300 . 1 . . . . 17 LEU C . 10247 1 84 . 1 1 17 17 LEU CA C 13 53.128 0.300 . 1 . . . . 17 LEU CA . 10247 1 85 . 1 1 17 17 LEU CB C 13 44.656 0.300 . 1 . . . . 17 LEU CB . 10247 1 86 . 1 1 17 17 LEU CD1 C 13 25.017 0.300 . 2 . . . . 17 LEU CD1 . 10247 1 87 . 1 1 17 17 LEU CD2 C 13 22.331 0.300 . 2 . . . . 17 LEU CD2 . 10247 1 88 . 1 1 17 17 LEU CG C 13 26.458 0.300 . 1 . . . . 17 LEU CG . 10247 1 89 . 1 1 17 17 LEU N N 15 119.654 0.300 . 1 . . . . 17 LEU N . 10247 1 90 . 1 1 18 18 CYS H H 1 8.080 0.030 . 1 . . . . 18 CYS H . 10247 1 91 . 1 1 18 18 CYS HA H 1 4.248 0.030 . 1 . . . . 18 CYS HA . 10247 1 92 . 1 1 18 18 CYS HB2 H 1 3.445 0.030 . 2 . . . . 18 CYS HB2 . 10247 1 93 . 1 1 18 18 CYS HB3 H 1 2.177 0.030 . 2 . . . . 18 CYS HB3 . 10247 1 94 . 1 1 18 18 CYS C C 13 177.466 0.300 . 1 . . . . 18 CYS C . 10247 1 95 . 1 1 18 18 CYS CA C 13 58.398 0.300 . 1 . . . . 18 CYS CA . 10247 1 96 . 1 1 18 18 CYS CB C 13 31.990 0.300 . 1 . . . . 18 CYS CB . 10247 1 97 . 1 1 18 18 CYS N N 15 123.013 0.300 . 1 . . . . 18 CYS N . 10247 1 98 . 1 1 19 19 ALA H H 1 9.211 0.030 . 1 . . . . 19 ALA H . 10247 1 99 . 1 1 19 19 ALA HA H 1 4.172 0.030 . 1 . . . . 19 ALA HA . 10247 1 100 . 1 1 19 19 ALA HB1 H 1 1.270 0.030 . 1 . . . . 19 ALA HB . 10247 1 101 . 1 1 19 19 ALA HB2 H 1 1.270 0.030 . 1 . . . . 19 ALA HB . 10247 1 102 . 1 1 19 19 ALA HB3 H 1 1.270 0.030 . 1 . . . . 19 ALA HB . 10247 1 103 . 1 1 19 19 ALA C C 13 177.724 0.300 . 1 . . . . 19 ALA C . 10247 1 104 . 1 1 19 19 ALA CA C 13 54.327 0.300 . 1 . . . . 19 ALA CA . 10247 1 105 . 1 1 19 19 ALA CB C 13 18.662 0.300 . 1 . . . . 19 ALA CB . 10247 1 106 . 1 1 19 19 ALA N N 15 132.258 0.300 . 1 . . . . 19 ALA N . 10247 1 107 . 1 1 20 20 LEU H H 1 8.911 0.030 . 1 . . . . 20 LEU H . 10247 1 108 . 1 1 20 20 LEU HA H 1 4.736 0.030 . 1 . . . . 20 LEU HA . 10247 1 109 . 1 1 20 20 LEU HB2 H 1 1.989 0.030 . 2 . . . . 20 LEU HB2 . 10247 1 110 . 1 1 20 20 LEU HB3 H 1 1.880 0.030 . 2 . . . . 20 LEU HB3 . 10247 1 111 . 1 1 20 20 LEU HD11 H 1 0.887 0.030 . 1 . . . . 20 LEU HD1 . 10247 1 112 . 1 1 20 20 LEU HD12 H 1 0.887 0.030 . 1 . . . . 20 LEU HD1 . 10247 1 113 . 1 1 20 20 LEU HD13 H 1 0.887 0.030 . 1 . . . . 20 LEU HD1 . 10247 1 114 . 1 1 20 20 LEU HD21 H 1 1.115 0.030 . 1 . . . . 20 LEU HD2 . 10247 1 115 . 1 1 20 20 LEU HD22 H 1 1.115 0.030 . 1 . . . . 20 LEU HD2 . 10247 1 116 . 1 1 20 20 LEU HD23 H 1 1.115 0.030 . 1 . . . . 20 LEU HD2 . 10247 1 117 . 1 1 20 20 LEU HG H 1 1.726 0.030 . 1 . . . . 20 LEU HG . 10247 1 118 . 1 1 20 20 LEU C C 13 177.779 0.300 . 1 . . . . 20 LEU C . 10247 1 119 . 1 1 20 20 LEU CA C 13 56.935 0.300 . 1 . . . . 20 LEU CA . 10247 1 120 . 1 1 20 20 LEU CB C 13 43.750 0.300 . 1 . . . . 20 LEU CB . 10247 1 121 . 1 1 20 20 LEU CD1 C 13 24.967 0.300 . 2 . . . . 20 LEU CD1 . 10247 1 122 . 1 1 20 20 LEU CD2 C 13 23.881 0.300 . 2 . . . . 20 LEU CD2 . 10247 1 123 . 1 1 20 20 LEU CG C 13 27.979 0.300 . 1 . . . . 20 LEU CG . 10247 1 124 . 1 1 20 20 LEU N N 15 119.770 0.300 . 1 . . . . 20 LEU N . 10247 1 125 . 1 1 21 21 CYS H H 1 8.159 0.030 . 1 . . . . 21 CYS H . 10247 1 126 . 1 1 21 21 CYS HA H 1 4.962 0.030 . 1 . . . . 21 CYS HA . 10247 1 127 . 1 1 21 21 CYS HB2 H 1 3.391 0.030 . 2 . . . . 21 CYS HB2 . 10247 1 128 . 1 1 21 21 CYS HB3 H 1 3.149 0.030 . 2 . . . . 21 CYS HB3 . 10247 1 129 . 1 1 21 21 CYS C C 13 176.947 0.300 . 1 . . . . 21 CYS C . 10247 1 130 . 1 1 21 21 CYS CA C 13 59.137 0.300 . 1 . . . . 21 CYS CA . 10247 1 131 . 1 1 21 21 CYS CB C 13 31.728 0.300 . 1 . . . . 21 CYS CB . 10247 1 132 . 1 1 21 21 CYS N N 15 116.713 0.300 . 1 . . . . 21 CYS N . 10247 1 133 . 1 1 22 22 GLY H H 1 8.088 0.030 . 1 . . . . 22 GLY H . 10247 1 134 . 1 1 22 22 GLY HA2 H 1 4.160 0.030 . 2 . . . . 22 GLY HA2 . 10247 1 135 . 1 1 22 22 GLY HA3 H 1 3.865 0.030 . 2 . . . . 22 GLY HA3 . 10247 1 136 . 1 1 22 22 GLY C C 13 173.190 0.300 . 1 . . . . 22 GLY C . 10247 1 137 . 1 1 22 22 GLY CA C 13 46.556 0.300 . 1 . . . . 22 GLY CA . 10247 1 138 . 1 1 22 22 GLY N N 15 112.000 0.300 . 1 . . . . 22 GLY N . 10247 1 139 . 1 1 23 23 GLU H H 1 8.378 0.030 . 1 . . . . 23 GLU H . 10247 1 140 . 1 1 23 23 GLU HA H 1 4.712 0.030 . 1 . . . . 23 GLU HA . 10247 1 141 . 1 1 23 23 GLU HB2 H 1 2.376 0.030 . 2 . . . . 23 GLU HB2 . 10247 1 142 . 1 1 23 23 GLU HB3 H 1 2.244 0.030 . 2 . . . . 23 GLU HB3 . 10247 1 143 . 1 1 23 23 GLU HG2 H 1 2.474 0.030 . 2 . . . . 23 GLU HG2 . 10247 1 144 . 1 1 23 23 GLU HG3 H 1 2.306 0.030 . 2 . . . . 23 GLU HG3 . 10247 1 145 . 1 1 23 23 GLU C C 13 176.434 0.300 . 1 . . . . 23 GLU C . 10247 1 146 . 1 1 23 23 GLU CA C 13 55.014 0.300 . 1 . . . . 23 GLU CA . 10247 1 147 . 1 1 23 23 GLU CB C 13 31.557 0.300 . 1 . . . . 23 GLU CB . 10247 1 148 . 1 1 23 23 GLU CG C 13 36.119 0.300 . 1 . . . . 23 GLU CG . 10247 1 149 . 1 1 23 23 GLU N N 15 118.877 0.300 . 1 . . . . 23 GLU N . 10247 1 150 . 1 1 24 24 HIS H H 1 8.666 0.030 . 1 . . . . 24 HIS H . 10247 1 151 . 1 1 24 24 HIS HA H 1 4.333 0.030 . 1 . . . . 24 HIS HA . 10247 1 152 . 1 1 24 24 HIS HB2 H 1 2.926 0.030 . 2 . . . . 24 HIS HB2 . 10247 1 153 . 1 1 24 24 HIS HB3 H 1 2.830 0.030 . 2 . . . . 24 HIS HB3 . 10247 1 154 . 1 1 24 24 HIS HD2 H 1 6.817 0.030 . 1 . . . . 24 HIS HD2 . 10247 1 155 . 1 1 24 24 HIS HE1 H 1 7.868 0.030 . 1 . . . . 24 HIS HE1 . 10247 1 156 . 1 1 24 24 HIS C C 13 175.281 0.300 . 1 . . . . 24 HIS C . 10247 1 157 . 1 1 24 24 HIS CA C 13 58.186 0.300 . 1 . . . . 24 HIS CA . 10247 1 158 . 1 1 24 24 HIS CB C 13 30.099 0.300 . 1 . . . . 24 HIS CB . 10247 1 159 . 1 1 24 24 HIS CD2 C 13 120.664 0.300 . 1 . . . . 24 HIS CD2 . 10247 1 160 . 1 1 24 24 HIS CE1 C 13 137.771 0.300 . 1 . . . . 24 HIS CE1 . 10247 1 161 . 1 1 24 24 HIS N N 15 118.732 0.300 . 1 . . . . 24 HIS N . 10247 1 162 . 1 1 25 25 LEU H H 1 7.928 0.030 . 1 . . . . 25 LEU H . 10247 1 163 . 1 1 25 25 LEU HA H 1 4.174 0.030 . 1 . . . . 25 LEU HA . 10247 1 164 . 1 1 25 25 LEU HB2 H 1 1.138 0.030 . 2 . . . . 25 LEU HB2 . 10247 1 165 . 1 1 25 25 LEU HB3 H 1 0.978 0.030 . 2 . . . . 25 LEU HB3 . 10247 1 166 . 1 1 25 25 LEU HD11 H 1 0.323 0.030 . 1 . . . . 25 LEU HD1 . 10247 1 167 . 1 1 25 25 LEU HD12 H 1 0.323 0.030 . 1 . . . . 25 LEU HD1 . 10247 1 168 . 1 1 25 25 LEU HD13 H 1 0.323 0.030 . 1 . . . . 25 LEU HD1 . 10247 1 169 . 1 1 25 25 LEU HD21 H 1 0.199 0.030 . 1 . . . . 25 LEU HD2 . 10247 1 170 . 1 1 25 25 LEU HD22 H 1 0.199 0.030 . 1 . . . . 25 LEU HD2 . 10247 1 171 . 1 1 25 25 LEU HD23 H 1 0.199 0.030 . 1 . . . . 25 LEU HD2 . 10247 1 172 . 1 1 25 25 LEU HG H 1 1.039 0.030 . 1 . . . . 25 LEU HG . 10247 1 173 . 1 1 25 25 LEU C C 13 175.186 0.300 . 1 . . . . 25 LEU C . 10247 1 174 . 1 1 25 25 LEU CA C 13 53.992 0.300 . 1 . . . . 25 LEU CA . 10247 1 175 . 1 1 25 25 LEU CB C 13 43.742 0.300 . 1 . . . . 25 LEU CB . 10247 1 176 . 1 1 25 25 LEU CD1 C 13 25.468 0.300 . 2 . . . . 25 LEU CD1 . 10247 1 177 . 1 1 25 25 LEU CD2 C 13 24.937 0.300 . 2 . . . . 25 LEU CD2 . 10247 1 178 . 1 1 25 25 LEU CG C 13 26.597 0.300 . 1 . . . . 25 LEU CG . 10247 1 179 . 1 1 25 25 LEU N N 15 125.590 0.300 . 1 . . . . 25 LEU N . 10247 1 180 . 1 1 26 26 TYR H H 1 8.768 0.030 . 1 . . . . 26 TYR H . 10247 1 181 . 1 1 26 26 TYR HA H 1 4.651 0.030 . 1 . . . . 26 TYR HA . 10247 1 182 . 1 1 26 26 TYR HB2 H 1 3.270 0.030 . 2 . . . . 26 TYR HB2 . 10247 1 183 . 1 1 26 26 TYR HB3 H 1 3.010 0.030 . 2 . . . . 26 TYR HB3 . 10247 1 184 . 1 1 26 26 TYR HD1 H 1 7.286 0.030 . 1 . . . . 26 TYR HD1 . 10247 1 185 . 1 1 26 26 TYR HD2 H 1 7.286 0.030 . 1 . . . . 26 TYR HD2 . 10247 1 186 . 1 1 26 26 TYR HE1 H 1 6.878 0.030 . 1 . . . . 26 TYR HE1 . 10247 1 187 . 1 1 26 26 TYR HE2 H 1 6.878 0.030 . 1 . . . . 26 TYR HE2 . 10247 1 188 . 1 1 26 26 TYR C C 13 177.267 0.300 . 1 . . . . 26 TYR C . 10247 1 189 . 1 1 26 26 TYR CA C 13 57.270 0.300 . 1 . . . . 26 TYR CA . 10247 1 190 . 1 1 26 26 TYR CB C 13 38.210 0.300 . 1 . . . . 26 TYR CB . 10247 1 191 . 1 1 26 26 TYR CD1 C 13 133.100 0.300 . 1 . . . . 26 TYR CD1 . 10247 1 192 . 1 1 26 26 TYR CD2 C 13 133.100 0.300 . 1 . . . . 26 TYR CD2 . 10247 1 193 . 1 1 26 26 TYR CE1 C 13 118.526 0.300 . 1 . . . . 26 TYR CE1 . 10247 1 194 . 1 1 26 26 TYR CE2 C 13 118.526 0.300 . 1 . . . . 26 TYR CE2 . 10247 1 195 . 1 1 26 26 TYR N N 15 123.119 0.300 . 1 . . . . 26 TYR N . 10247 1 196 . 1 1 27 27 VAL H H 1 8.086 0.030 . 1 . . . . 27 VAL H . 10247 1 197 . 1 1 27 27 VAL HA H 1 3.809 0.030 . 1 . . . . 27 VAL HA . 10247 1 198 . 1 1 27 27 VAL HB H 1 2.162 0.030 . 1 . . . . 27 VAL HB . 10247 1 199 . 1 1 27 27 VAL HG11 H 1 0.918 0.030 . 1 . . . . 27 VAL HG1 . 10247 1 200 . 1 1 27 27 VAL HG12 H 1 0.918 0.030 . 1 . . . . 27 VAL HG1 . 10247 1 201 . 1 1 27 27 VAL HG13 H 1 0.918 0.030 . 1 . . . . 27 VAL HG1 . 10247 1 202 . 1 1 27 27 VAL HG21 H 1 0.890 0.030 . 1 . . . . 27 VAL HG2 . 10247 1 203 . 1 1 27 27 VAL HG22 H 1 0.890 0.030 . 1 . . . . 27 VAL HG2 . 10247 1 204 . 1 1 27 27 VAL HG23 H 1 0.890 0.030 . 1 . . . . 27 VAL HG2 . 10247 1 205 . 1 1 27 27 VAL C C 13 176.958 0.300 . 1 . . . . 27 VAL C . 10247 1 206 . 1 1 27 27 VAL CA C 13 64.551 0.300 . 1 . . . . 27 VAL CA . 10247 1 207 . 1 1 27 27 VAL CB C 13 31.788 0.300 . 1 . . . . 27 VAL CB . 10247 1 208 . 1 1 27 27 VAL CG1 C 13 20.894 0.300 . 2 . . . . 27 VAL CG1 . 10247 1 209 . 1 1 27 27 VAL CG2 C 13 20.635 0.300 . 2 . . . . 27 VAL CG2 . 10247 1 210 . 1 1 27 27 VAL N N 15 121.055 0.300 . 1 . . . . 27 VAL N . 10247 1 211 . 1 1 28 28 LEU H H 1 7.665 0.030 . 1 . . . . 28 LEU H . 10247 1 212 . 1 1 28 28 LEU HA H 1 4.285 0.030 . 1 . . . . 28 LEU HA . 10247 1 213 . 1 1 28 28 LEU HB2 H 1 1.820 0.030 . 2 . . . . 28 LEU HB2 . 10247 1 214 . 1 1 28 28 LEU HB3 H 1 1.680 0.030 . 2 . . . . 28 LEU HB3 . 10247 1 215 . 1 1 28 28 LEU HD11 H 1 0.995 0.030 . 1 . . . . 28 LEU HD1 . 10247 1 216 . 1 1 28 28 LEU HD12 H 1 0.995 0.030 . 1 . . . . 28 LEU HD1 . 10247 1 217 . 1 1 28 28 LEU HD13 H 1 0.995 0.030 . 1 . . . . 28 LEU HD1 . 10247 1 218 . 1 1 28 28 LEU HD21 H 1 0.935 0.030 . 1 . . . . 28 LEU HD2 . 10247 1 219 . 1 1 28 28 LEU HD22 H 1 0.935 0.030 . 1 . . . . 28 LEU HD2 . 10247 1 220 . 1 1 28 28 LEU HD23 H 1 0.935 0.030 . 1 . . . . 28 LEU HD2 . 10247 1 221 . 1 1 28 28 LEU HG H 1 1.698 0.030 . 1 . . . . 28 LEU HG . 10247 1 222 . 1 1 28 28 LEU C C 13 177.710 0.300 . 1 . . . . 28 LEU C . 10247 1 223 . 1 1 28 28 LEU CA C 13 56.297 0.300 . 1 . . . . 28 LEU CA . 10247 1 224 . 1 1 28 28 LEU CB C 13 41.998 0.300 . 1 . . . . 28 LEU CB . 10247 1 225 . 1 1 28 28 LEU CD1 C 13 25.137 0.300 . 2 . . . . 28 LEU CD1 . 10247 1 226 . 1 1 28 28 LEU CD2 C 13 22.953 0.300 . 2 . . . . 28 LEU CD2 . 10247 1 227 . 1 1 28 28 LEU CG C 13 27.274 0.300 . 1 . . . . 28 LEU CG . 10247 1 228 . 1 1 28 28 LEU N N 15 119.062 0.300 . 1 . . . . 28 LEU N . 10247 1 229 . 1 1 29 29 GLU H H 1 7.961 0.030 . 1 . . . . 29 GLU H . 10247 1 230 . 1 1 29 29 GLU HA H 1 4.479 0.030 . 1 . . . . 29 GLU HA . 10247 1 231 . 1 1 29 29 GLU HB2 H 1 2.381 0.030 . 2 . . . . 29 GLU HB2 . 10247 1 232 . 1 1 29 29 GLU HB3 H 1 2.149 0.030 . 2 . . . . 29 GLU HB3 . 10247 1 233 . 1 1 29 29 GLU HG2 H 1 2.387 0.030 . 1 . . . . 29 GLU HG2 . 10247 1 234 . 1 1 29 29 GLU HG3 H 1 2.387 0.030 . 1 . . . . 29 GLU HG3 . 10247 1 235 . 1 1 29 29 GLU C C 13 175.755 0.300 . 1 . . . . 29 GLU C . 10247 1 236 . 1 1 29 29 GLU CA C 13 56.248 0.300 . 1 . . . . 29 GLU CA . 10247 1 237 . 1 1 29 29 GLU CB C 13 30.550 0.300 . 1 . . . . 29 GLU CB . 10247 1 238 . 1 1 29 29 GLU CG C 13 36.630 0.300 . 1 . . . . 29 GLU CG . 10247 1 239 . 1 1 29 29 GLU N N 15 117.067 0.300 . 1 . . . . 29 GLU N . 10247 1 240 . 1 1 30 30 ARG H H 1 7.724 0.030 . 1 . . . . 30 ARG H . 10247 1 241 . 1 1 30 30 ARG HA H 1 4.688 0.030 . 1 . . . . 30 ARG HA . 10247 1 242 . 1 1 30 30 ARG HB2 H 1 1.763 0.030 . 2 . . . . 30 ARG HB2 . 10247 1 243 . 1 1 30 30 ARG HB3 H 1 1.708 0.030 . 2 . . . . 30 ARG HB3 . 10247 1 244 . 1 1 30 30 ARG HD2 H 1 2.771 0.030 . 1 . . . . 30 ARG HD2 . 10247 1 245 . 1 1 30 30 ARG HD3 H 1 2.771 0.030 . 1 . . . . 30 ARG HD3 . 10247 1 246 . 1 1 30 30 ARG HG2 H 1 1.621 0.030 . 2 . . . . 30 ARG HG2 . 10247 1 247 . 1 1 30 30 ARG HG3 H 1 1.476 0.030 . 2 . . . . 30 ARG HG3 . 10247 1 248 . 1 1 30 30 ARG C C 13 174.546 0.300 . 1 . . . . 30 ARG C . 10247 1 249 . 1 1 30 30 ARG CA C 13 55.948 0.300 . 1 . . . . 30 ARG CA . 10247 1 250 . 1 1 30 30 ARG CB C 13 33.034 0.300 . 1 . . . . 30 ARG CB . 10247 1 251 . 1 1 30 30 ARG CD C 13 43.933 0.300 . 1 . . . . 30 ARG CD . 10247 1 252 . 1 1 30 30 ARG CG C 13 25.837 0.300 . 1 . . . . 30 ARG CG . 10247 1 253 . 1 1 30 30 ARG N N 15 120.305 0.300 . 1 . . . . 30 ARG N . 10247 1 254 . 1 1 31 31 LEU H H 1 8.970 0.030 . 1 . . . . 31 LEU H . 10247 1 255 . 1 1 31 31 LEU HA H 1 4.635 0.030 . 1 . . . . 31 LEU HA . 10247 1 256 . 1 1 31 31 LEU HB2 H 1 1.456 0.030 . 2 . . . . 31 LEU HB2 . 10247 1 257 . 1 1 31 31 LEU HB3 H 1 1.319 0.030 . 2 . . . . 31 LEU HB3 . 10247 1 258 . 1 1 31 31 LEU HD11 H 1 0.669 0.030 . 1 . . . . 31 LEU HD1 . 10247 1 259 . 1 1 31 31 LEU HD12 H 1 0.669 0.030 . 1 . . . . 31 LEU HD1 . 10247 1 260 . 1 1 31 31 LEU HD13 H 1 0.669 0.030 . 1 . . . . 31 LEU HD1 . 10247 1 261 . 1 1 31 31 LEU HD21 H 1 0.581 0.030 . 1 . . . . 31 LEU HD2 . 10247 1 262 . 1 1 31 31 LEU HD22 H 1 0.581 0.030 . 1 . . . . 31 LEU HD2 . 10247 1 263 . 1 1 31 31 LEU HD23 H 1 0.581 0.030 . 1 . . . . 31 LEU HD2 . 10247 1 264 . 1 1 31 31 LEU HG H 1 1.234 0.030 . 1 . . . . 31 LEU HG . 10247 1 265 . 1 1 31 31 LEU C C 13 174.536 0.300 . 1 . . . . 31 LEU C . 10247 1 266 . 1 1 31 31 LEU CA C 13 54.168 0.300 . 1 . . . . 31 LEU CA . 10247 1 267 . 1 1 31 31 LEU CB C 13 45.021 0.300 . 1 . . . . 31 LEU CB . 10247 1 268 . 1 1 31 31 LEU CD1 C 13 24.896 0.300 . 2 . . . . 31 LEU CD1 . 10247 1 269 . 1 1 31 31 LEU CD2 C 13 25.271 0.300 . 2 . . . . 31 LEU CD2 . 10247 1 270 . 1 1 31 31 LEU CG C 13 27.155 0.300 . 1 . . . . 31 LEU CG . 10247 1 271 . 1 1 31 31 LEU N N 15 124.553 0.300 . 1 . . . . 31 LEU N . 10247 1 272 . 1 1 32 32 CYS H H 1 8.558 0.030 . 1 . . . . 32 CYS H . 10247 1 273 . 1 1 32 32 CYS HA H 1 4.954 0.030 . 1 . . . . 32 CYS HA . 10247 1 274 . 1 1 32 32 CYS HB2 H 1 2.650 0.030 . 2 . . . . 32 CYS HB2 . 10247 1 275 . 1 1 32 32 CYS HB3 H 1 2.518 0.030 . 2 . . . . 32 CYS HB3 . 10247 1 276 . 1 1 32 32 CYS C C 13 174.418 0.300 . 1 . . . . 32 CYS C . 10247 1 277 . 1 1 32 32 CYS CA C 13 56.874 0.300 . 1 . . . . 32 CYS CA . 10247 1 278 . 1 1 32 32 CYS CB C 13 28.054 0.300 . 1 . . . . 32 CYS CB . 10247 1 279 . 1 1 32 32 CYS N N 15 124.126 0.300 . 1 . . . . 32 CYS N . 10247 1 280 . 1 1 33 33 VAL H H 1 8.893 0.030 . 1 . . . . 33 VAL H . 10247 1 281 . 1 1 33 33 VAL HA H 1 4.103 0.030 . 1 . . . . 33 VAL HA . 10247 1 282 . 1 1 33 33 VAL HB H 1 1.589 0.030 . 1 . . . . 33 VAL HB . 10247 1 283 . 1 1 33 33 VAL HG11 H 1 0.721 0.030 . 1 . . . . 33 VAL HG1 . 10247 1 284 . 1 1 33 33 VAL HG12 H 1 0.721 0.030 . 1 . . . . 33 VAL HG1 . 10247 1 285 . 1 1 33 33 VAL HG13 H 1 0.721 0.030 . 1 . . . . 33 VAL HG1 . 10247 1 286 . 1 1 33 33 VAL HG21 H 1 0.006 0.030 . 1 . . . . 33 VAL HG2 . 10247 1 287 . 1 1 33 33 VAL HG22 H 1 0.006 0.030 . 1 . . . . 33 VAL HG2 . 10247 1 288 . 1 1 33 33 VAL HG23 H 1 0.006 0.030 . 1 . . . . 33 VAL HG2 . 10247 1 289 . 1 1 33 33 VAL C C 13 175.525 0.300 . 1 . . . . 33 VAL C . 10247 1 290 . 1 1 33 33 VAL CA C 13 61.551 0.300 . 1 . . . . 33 VAL CA . 10247 1 291 . 1 1 33 33 VAL CB C 13 34.027 0.300 . 1 . . . . 33 VAL CB . 10247 1 292 . 1 1 33 33 VAL CG1 C 13 21.295 0.300 . 2 . . . . 33 VAL CG1 . 10247 1 293 . 1 1 33 33 VAL CG2 C 13 19.524 0.300 . 2 . . . . 33 VAL CG2 . 10247 1 294 . 1 1 33 33 VAL N N 15 129.037 0.300 . 1 . . . . 33 VAL N . 10247 1 295 . 1 1 34 34 ASN HA H 1 4.389 0.030 . 1 . . . . 34 ASN HA . 10247 1 296 . 1 1 34 34 ASN HB2 H 1 3.324 0.030 . 2 . . . . 34 ASN HB2 . 10247 1 297 . 1 1 34 34 ASN HB3 H 1 2.992 0.030 . 2 . . . . 34 ASN HB3 . 10247 1 298 . 1 1 34 34 ASN HD21 H 1 7.852 0.030 . 2 . . . . 34 ASN HD21 . 10247 1 299 . 1 1 34 34 ASN HD22 H 1 7.148 0.030 . 2 . . . . 34 ASN HD22 . 10247 1 300 . 1 1 34 34 ASN C C 13 174.946 0.300 . 1 . . . . 34 ASN C . 10247 1 301 . 1 1 34 34 ASN CA C 13 53.922 0.300 . 1 . . . . 34 ASN CA . 10247 1 302 . 1 1 34 34 ASN CB C 13 37.332 0.300 . 1 . . . . 34 ASN CB . 10247 1 303 . 1 1 34 34 ASN ND2 N 15 111.720 0.300 . 1 . . . . 34 ASN ND2 . 10247 1 304 . 1 1 35 35 GLY H H 1 7.896 0.030 . 1 . . . . 35 GLY H . 10247 1 305 . 1 1 35 35 GLY HA2 H 1 3.891 0.030 . 2 . . . . 35 GLY HA2 . 10247 1 306 . 1 1 35 35 GLY HA3 H 1 3.180 0.030 . 2 . . . . 35 GLY HA3 . 10247 1 307 . 1 1 35 35 GLY C C 13 172.892 0.300 . 1 . . . . 35 GLY C . 10247 1 308 . 1 1 35 35 GLY CA C 13 45.290 0.300 . 1 . . . . 35 GLY CA . 10247 1 309 . 1 1 35 35 GLY N N 15 102.630 0.300 . 1 . . . . 35 GLY N . 10247 1 310 . 1 1 36 36 HIS H H 1 7.694 0.030 . 1 . . . . 36 HIS H . 10247 1 311 . 1 1 36 36 HIS HA H 1 4.433 0.030 . 1 . . . . 36 HIS HA . 10247 1 312 . 1 1 36 36 HIS HB2 H 1 3.008 0.030 . 2 . . . . 36 HIS HB2 . 10247 1 313 . 1 1 36 36 HIS HB3 H 1 2.515 0.030 . 2 . . . . 36 HIS HB3 . 10247 1 314 . 1 1 36 36 HIS HD2 H 1 7.145 0.030 . 1 . . . . 36 HIS HD2 . 10247 1 315 . 1 1 36 36 HIS C C 13 172.910 0.300 . 1 . . . . 36 HIS C . 10247 1 316 . 1 1 36 36 HIS CA C 13 54.433 0.300 . 1 . . . . 36 HIS CA . 10247 1 317 . 1 1 36 36 HIS CB C 13 32.464 0.300 . 1 . . . . 36 HIS CB . 10247 1 318 . 1 1 36 36 HIS CD2 C 13 121.324 0.300 . 1 . . . . 36 HIS CD2 . 10247 1 319 . 1 1 36 36 HIS N N 15 119.651 0.300 . 1 . . . . 36 HIS N . 10247 1 320 . 1 1 37 37 PHE H H 1 8.502 0.030 . 1 . . . . 37 PHE H . 10247 1 321 . 1 1 37 37 PHE HA H 1 5.314 0.030 . 1 . . . . 37 PHE HA . 10247 1 322 . 1 1 37 37 PHE HB2 H 1 2.793 0.030 . 2 . . . . 37 PHE HB2 . 10247 1 323 . 1 1 37 37 PHE HB3 H 1 2.593 0.030 . 2 . . . . 37 PHE HB3 . 10247 1 324 . 1 1 37 37 PHE HD1 H 1 7.015 0.030 . 1 . . . . 37 PHE HD1 . 10247 1 325 . 1 1 37 37 PHE HD2 H 1 7.015 0.030 . 1 . . . . 37 PHE HD2 . 10247 1 326 . 1 1 37 37 PHE HE1 H 1 6.860 0.030 . 1 . . . . 37 PHE HE1 . 10247 1 327 . 1 1 37 37 PHE HE2 H 1 6.860 0.030 . 1 . . . . 37 PHE HE2 . 10247 1 328 . 1 1 37 37 PHE HZ H 1 7.246 0.030 . 1 . . . . 37 PHE HZ . 10247 1 329 . 1 1 37 37 PHE C C 13 174.239 0.300 . 1 . . . . 37 PHE C . 10247 1 330 . 1 1 37 37 PHE CA C 13 56.424 0.300 . 1 . . . . 37 PHE CA . 10247 1 331 . 1 1 37 37 PHE CB C 13 41.572 0.300 . 1 . . . . 37 PHE CB . 10247 1 332 . 1 1 37 37 PHE CD1 C 13 131.230 0.300 . 1 . . . . 37 PHE CD1 . 10247 1 333 . 1 1 37 37 PHE CD2 C 13 131.230 0.300 . 1 . . . . 37 PHE CD2 . 10247 1 334 . 1 1 37 37 PHE CE1 C 13 131.769 0.300 . 1 . . . . 37 PHE CE1 . 10247 1 335 . 1 1 37 37 PHE CE2 C 13 131.769 0.300 . 1 . . . . 37 PHE CE2 . 10247 1 336 . 1 1 37 37 PHE CZ C 13 131.383 0.300 . 1 . . . . 37 PHE CZ . 10247 1 337 . 1 1 37 37 PHE N N 15 119.583 0.300 . 1 . . . . 37 PHE N . 10247 1 338 . 1 1 38 38 PHE H H 1 8.664 0.030 . 1 . . . . 38 PHE H . 10247 1 339 . 1 1 38 38 PHE HA H 1 5.866 0.030 . 1 . . . . 38 PHE HA . 10247 1 340 . 1 1 38 38 PHE HB2 H 1 3.312 0.030 . 2 . . . . 38 PHE HB2 . 10247 1 341 . 1 1 38 38 PHE HB3 H 1 2.266 0.030 . 2 . . . . 38 PHE HB3 . 10247 1 342 . 1 1 38 38 PHE HD1 H 1 6.861 0.030 . 1 . . . . 38 PHE HD1 . 10247 1 343 . 1 1 38 38 PHE HD2 H 1 6.861 0.030 . 1 . . . . 38 PHE HD2 . 10247 1 344 . 1 1 38 38 PHE HE1 H 1 7.022 0.030 . 1 . . . . 38 PHE HE1 . 10247 1 345 . 1 1 38 38 PHE HE2 H 1 7.022 0.030 . 1 . . . . 38 PHE HE2 . 10247 1 346 . 1 1 38 38 PHE HZ H 1 7.209 0.030 . 1 . . . . 38 PHE HZ . 10247 1 347 . 1 1 38 38 PHE C C 13 177.496 0.300 . 1 . . . . 38 PHE C . 10247 1 348 . 1 1 38 38 PHE CA C 13 55.296 0.300 . 1 . . . . 38 PHE CA . 10247 1 349 . 1 1 38 38 PHE CB C 13 44.392 0.300 . 1 . . . . 38 PHE CB . 10247 1 350 . 1 1 38 38 PHE CD1 C 13 131.737 0.300 . 1 . . . . 38 PHE CD1 . 10247 1 351 . 1 1 38 38 PHE CD2 C 13 131.737 0.300 . 1 . . . . 38 PHE CD2 . 10247 1 352 . 1 1 38 38 PHE CE1 C 13 131.307 0.300 . 1 . . . . 38 PHE CE1 . 10247 1 353 . 1 1 38 38 PHE CE2 C 13 131.307 0.300 . 1 . . . . 38 PHE CE2 . 10247 1 354 . 1 1 38 38 PHE CZ C 13 129.579 0.300 . 1 . . . . 38 PHE CZ . 10247 1 355 . 1 1 38 38 PHE N N 15 116.719 0.300 . 1 . . . . 38 PHE N . 10247 1 356 . 1 1 39 39 HIS H H 1 8.854 0.030 . 1 . . . . 39 HIS H . 10247 1 357 . 1 1 39 39 HIS HA H 1 4.675 0.030 . 1 . . . . 39 HIS HA . 10247 1 358 . 1 1 39 39 HIS HB2 H 1 3.725 0.030 . 2 . . . . 39 HIS HB2 . 10247 1 359 . 1 1 39 39 HIS HB3 H 1 3.607 0.030 . 2 . . . . 39 HIS HB3 . 10247 1 360 . 1 1 39 39 HIS HD2 H 1 7.341 0.030 . 1 . . . . 39 HIS HD2 . 10247 1 361 . 1 1 39 39 HIS HE1 H 1 7.275 0.030 . 1 . . . . 39 HIS HE1 . 10247 1 362 . 1 1 39 39 HIS C C 13 178.476 0.300 . 1 . . . . 39 HIS C . 10247 1 363 . 1 1 39 39 HIS CA C 13 59.297 0.300 . 1 . . . . 39 HIS CA . 10247 1 364 . 1 1 39 39 HIS CB C 13 30.980 0.300 . 1 . . . . 39 HIS CB . 10247 1 365 . 1 1 39 39 HIS CD2 C 13 119.429 0.300 . 1 . . . . 39 HIS CD2 . 10247 1 366 . 1 1 39 39 HIS CE1 C 13 138.432 0.300 . 1 . . . . 39 HIS CE1 . 10247 1 367 . 1 1 39 39 HIS N N 15 120.015 0.300 . 1 . . . . 39 HIS N . 10247 1 368 . 1 1 40 40 ARG H H 1 9.256 0.030 . 1 . . . . 40 ARG H . 10247 1 369 . 1 1 40 40 ARG HA H 1 3.965 0.030 . 1 . . . . 40 ARG HA . 10247 1 370 . 1 1 40 40 ARG HB2 H 1 1.934 0.030 . 2 . . . . 40 ARG HB2 . 10247 1 371 . 1 1 40 40 ARG HB3 H 1 1.844 0.030 . 2 . . . . 40 ARG HB3 . 10247 1 372 . 1 1 40 40 ARG HD2 H 1 3.197 0.030 . 2 . . . . 40 ARG HD2 . 10247 1 373 . 1 1 40 40 ARG HD3 H 1 3.133 0.030 . 2 . . . . 40 ARG HD3 . 10247 1 374 . 1 1 40 40 ARG HG2 H 1 1.661 0.030 . 1 . . . . 40 ARG HG2 . 10247 1 375 . 1 1 40 40 ARG HG3 H 1 1.661 0.030 . 1 . . . . 40 ARG HG3 . 10247 1 376 . 1 1 40 40 ARG C C 13 179.459 0.300 . 1 . . . . 40 ARG C . 10247 1 377 . 1 1 40 40 ARG CA C 13 60.547 0.300 . 1 . . . . 40 ARG CA . 10247 1 378 . 1 1 40 40 ARG CB C 13 29.598 0.300 . 1 . . . . 40 ARG CB . 10247 1 379 . 1 1 40 40 ARG CD C 13 43.158 0.300 . 1 . . . . 40 ARG CD . 10247 1 380 . 1 1 40 40 ARG CG C 13 27.860 0.300 . 1 . . . . 40 ARG CG . 10247 1 381 . 1 1 40 40 ARG N N 15 126.206 0.300 . 1 . . . . 40 ARG N . 10247 1 382 . 1 1 41 41 SER H H 1 8.643 0.030 . 1 . . . . 41 SER H . 10247 1 383 . 1 1 41 41 SER HA H 1 4.221 0.030 . 1 . . . . 41 SER HA . 10247 1 384 . 1 1 41 41 SER HB2 H 1 4.044 0.030 . 2 . . . . 41 SER HB2 . 10247 1 385 . 1 1 41 41 SER HB3 H 1 3.892 0.030 . 2 . . . . 41 SER HB3 . 10247 1 386 . 1 1 41 41 SER C C 13 175.499 0.300 . 1 . . . . 41 SER C . 10247 1 387 . 1 1 41 41 SER CA C 13 60.160 0.300 . 1 . . . . 41 SER CA . 10247 1 388 . 1 1 41 41 SER CB C 13 62.847 0.300 . 1 . . . . 41 SER CB . 10247 1 389 . 1 1 41 41 SER N N 15 109.970 0.300 . 1 . . . . 41 SER N . 10247 1 390 . 1 1 42 42 CYS H H 1 7.427 0.030 . 1 . . . . 42 CYS H . 10247 1 391 . 1 1 42 42 CYS HA H 1 4.306 0.030 . 1 . . . . 42 CYS HA . 10247 1 392 . 1 1 42 42 CYS HB2 H 1 3.450 0.030 . 2 . . . . 42 CYS HB2 . 10247 1 393 . 1 1 42 42 CYS HB3 H 1 3.163 0.030 . 2 . . . . 42 CYS HB3 . 10247 1 394 . 1 1 42 42 CYS C C 13 174.200 0.300 . 1 . . . . 42 CYS C . 10247 1 395 . 1 1 42 42 CYS CA C 13 61.569 0.300 . 1 . . . . 42 CYS CA . 10247 1 396 . 1 1 42 42 CYS CB C 13 30.945 0.300 . 1 . . . . 42 CYS CB . 10247 1 397 . 1 1 42 42 CYS N N 15 118.020 0.300 . 1 . . . . 42 CYS N . 10247 1 398 . 1 1 43 43 PHE H H 1 7.257 0.030 . 1 . . . . 43 PHE H . 10247 1 399 . 1 1 43 43 PHE HA H 1 4.122 0.030 . 1 . . . . 43 PHE HA . 10247 1 400 . 1 1 43 43 PHE HB2 H 1 3.025 0.030 . 2 . . . . 43 PHE HB2 . 10247 1 401 . 1 1 43 43 PHE HB3 H 1 2.216 0.030 . 2 . . . . 43 PHE HB3 . 10247 1 402 . 1 1 43 43 PHE HD1 H 1 6.089 0.030 . 1 . . . . 43 PHE HD1 . 10247 1 403 . 1 1 43 43 PHE HD2 H 1 6.089 0.030 . 1 . . . . 43 PHE HD2 . 10247 1 404 . 1 1 43 43 PHE HE1 H 1 5.451 0.030 . 1 . . . . 43 PHE HE1 . 10247 1 405 . 1 1 43 43 PHE HE2 H 1 5.451 0.030 . 1 . . . . 43 PHE HE2 . 10247 1 406 . 1 1 43 43 PHE HZ H 1 5.333 0.030 . 1 . . . . 43 PHE HZ . 10247 1 407 . 1 1 43 43 PHE C C 13 172.037 0.300 . 1 . . . . 43 PHE C . 10247 1 408 . 1 1 43 43 PHE CA C 13 57.112 0.300 . 1 . . . . 43 PHE CA . 10247 1 409 . 1 1 43 43 PHE CB C 13 37.448 0.300 . 1 . . . . 43 PHE CB . 10247 1 410 . 1 1 43 43 PHE CD1 C 13 130.977 0.300 . 1 . . . . 43 PHE CD1 . 10247 1 411 . 1 1 43 43 PHE CD2 C 13 130.977 0.300 . 1 . . . . 43 PHE CD2 . 10247 1 412 . 1 1 43 43 PHE CE1 C 13 130.449 0.300 . 1 . . . . 43 PHE CE1 . 10247 1 413 . 1 1 43 43 PHE CE2 C 13 130.449 0.300 . 1 . . . . 43 PHE CE2 . 10247 1 414 . 1 1 43 43 PHE CZ C 13 129.154 0.300 . 1 . . . . 43 PHE CZ . 10247 1 415 . 1 1 43 43 PHE N N 15 122.965 0.300 . 1 . . . . 43 PHE N . 10247 1 416 . 1 1 44 44 ARG H H 1 7.110 0.030 . 1 . . . . 44 ARG H . 10247 1 417 . 1 1 44 44 ARG HA H 1 4.821 0.030 . 1 . . . . 44 ARG HA . 10247 1 418 . 1 1 44 44 ARG HB2 H 1 1.230 0.030 . 2 . . . . 44 ARG HB2 . 10247 1 419 . 1 1 44 44 ARG HB3 H 1 1.164 0.030 . 2 . . . . 44 ARG HB3 . 10247 1 420 . 1 1 44 44 ARG HD2 H 1 3.152 0.030 . 2 . . . . 44 ARG HD2 . 10247 1 421 . 1 1 44 44 ARG HD3 H 1 3.058 0.030 . 2 . . . . 44 ARG HD3 . 10247 1 422 . 1 1 44 44 ARG HG2 H 1 1.207 0.030 . 2 . . . . 44 ARG HG2 . 10247 1 423 . 1 1 44 44 ARG HG3 H 1 1.106 0.030 . 2 . . . . 44 ARG HG3 . 10247 1 424 . 1 1 44 44 ARG C C 13 174.097 0.300 . 1 . . . . 44 ARG C . 10247 1 425 . 1 1 44 44 ARG CA C 13 53.323 0.300 . 1 . . . . 44 ARG CA . 10247 1 426 . 1 1 44 44 ARG CB C 13 34.911 0.300 . 1 . . . . 44 ARG CB . 10247 1 427 . 1 1 44 44 ARG CD C 13 43.623 0.300 . 1 . . . . 44 ARG CD . 10247 1 428 . 1 1 44 44 ARG CG C 13 26.964 0.300 . 1 . . . . 44 ARG CG . 10247 1 429 . 1 1 44 44 ARG N N 15 123.199 0.300 . 1 . . . . 44 ARG N . 10247 1 430 . 1 1 45 45 CYS H H 1 8.580 0.030 . 1 . . . . 45 CYS H . 10247 1 431 . 1 1 45 45 CYS HA H 1 4.055 0.030 . 1 . . . . 45 CYS HA . 10247 1 432 . 1 1 45 45 CYS HB2 H 1 3.491 0.030 . 2 . . . . 45 CYS HB2 . 10247 1 433 . 1 1 45 45 CYS HB3 H 1 3.015 0.030 . 2 . . . . 45 CYS HB3 . 10247 1 434 . 1 1 45 45 CYS C C 13 177.493 0.300 . 1 . . . . 45 CYS C . 10247 1 435 . 1 1 45 45 CYS CA C 13 59.878 0.300 . 1 . . . . 45 CYS CA . 10247 1 436 . 1 1 45 45 CYS CB C 13 32.052 0.300 . 1 . . . . 45 CYS CB . 10247 1 437 . 1 1 45 45 CYS N N 15 121.527 0.300 . 1 . . . . 45 CYS N . 10247 1 438 . 1 1 46 46 HIS H H 1 9.187 0.030 . 1 . . . . 46 HIS H . 10247 1 439 . 1 1 46 46 HIS HA H 1 4.184 0.030 . 1 . . . . 46 HIS HA . 10247 1 440 . 1 1 46 46 HIS HB2 H 1 2.998 0.030 . 2 . . . . 46 HIS HB2 . 10247 1 441 . 1 1 46 46 HIS HB3 H 1 2.254 0.030 . 2 . . . . 46 HIS HB3 . 10247 1 442 . 1 1 46 46 HIS HD2 H 1 6.953 0.030 . 1 . . . . 46 HIS HD2 . 10247 1 443 . 1 1 46 46 HIS C C 13 175.000 0.300 . 1 . . . . 46 HIS C . 10247 1 444 . 1 1 46 46 HIS CA C 13 59.137 0.300 . 1 . . . . 46 HIS CA . 10247 1 445 . 1 1 46 46 HIS CB C 13 29.560 0.300 . 1 . . . . 46 HIS CB . 10247 1 446 . 1 1 46 46 HIS CD2 C 13 120.434 0.300 . 1 . . . . 46 HIS CD2 . 10247 1 447 . 1 1 46 46 HIS N N 15 130.205 0.300 . 1 . . . . 46 HIS N . 10247 1 448 . 1 1 47 47 THR H H 1 8.848 0.030 . 1 . . . . 47 THR H . 10247 1 449 . 1 1 47 47 THR HA H 1 4.134 0.030 . 1 . . . . 47 THR HA . 10247 1 450 . 1 1 47 47 THR HB H 1 3.891 0.030 . 1 . . . . 47 THR HB . 10247 1 451 . 1 1 47 47 THR HG21 H 1 0.787 0.030 . 1 . . . . 47 THR HG2 . 10247 1 452 . 1 1 47 47 THR HG22 H 1 0.787 0.030 . 1 . . . . 47 THR HG2 . 10247 1 453 . 1 1 47 47 THR HG23 H 1 0.787 0.030 . 1 . . . . 47 THR HG2 . 10247 1 454 . 1 1 47 47 THR C C 13 174.926 0.300 . 1 . . . . 47 THR C . 10247 1 455 . 1 1 47 47 THR CA C 13 65.535 0.300 . 1 . . . . 47 THR CA . 10247 1 456 . 1 1 47 47 THR CB C 13 70.010 0.300 . 1 . . . . 47 THR CB . 10247 1 457 . 1 1 47 47 THR CG2 C 13 21.471 0.300 . 1 . . . . 47 THR CG2 . 10247 1 458 . 1 1 47 47 THR N N 15 116.066 0.300 . 1 . . . . 47 THR N . 10247 1 459 . 1 1 48 48 CYS H H 1 8.181 0.030 . 1 . . . . 48 CYS H . 10247 1 460 . 1 1 48 48 CYS HA H 1 4.821 0.030 . 1 . . . . 48 CYS HA . 10247 1 461 . 1 1 48 48 CYS HB2 H 1 3.414 0.030 . 2 . . . . 48 CYS HB2 . 10247 1 462 . 1 1 48 48 CYS HB3 H 1 2.440 0.030 . 2 . . . . 48 CYS HB3 . 10247 1 463 . 1 1 48 48 CYS C C 13 176.004 0.300 . 1 . . . . 48 CYS C . 10247 1 464 . 1 1 48 48 CYS CA C 13 59.050 0.300 . 1 . . . . 48 CYS CA . 10247 1 465 . 1 1 48 48 CYS CB C 13 32.944 0.300 . 1 . . . . 48 CYS CB . 10247 1 466 . 1 1 48 48 CYS N N 15 119.626 0.300 . 1 . . . . 48 CYS N . 10247 1 467 . 1 1 49 49 GLU H H 1 8.081 0.030 . 1 . . . . 49 GLU H . 10247 1 468 . 1 1 49 49 GLU HA H 1 3.865 0.030 . 1 . . . . 49 GLU HA . 10247 1 469 . 1 1 49 49 GLU HB2 H 1 2.347 0.030 . 2 . . . . 49 GLU HB2 . 10247 1 470 . 1 1 49 49 GLU HB3 H 1 2.250 0.030 . 2 . . . . 49 GLU HB3 . 10247 1 471 . 1 1 49 49 GLU HG2 H 1 2.017 0.030 . 1 . . . . 49 GLU HG2 . 10247 1 472 . 1 1 49 49 GLU HG3 H 1 2.017 0.030 . 1 . . . . 49 GLU HG3 . 10247 1 473 . 1 1 49 49 GLU C C 13 174.137 0.300 . 1 . . . . 49 GLU C . 10247 1 474 . 1 1 49 49 GLU CA C 13 58.732 0.300 . 1 . . . . 49 GLU CA . 10247 1 475 . 1 1 49 49 GLU CB C 13 27.345 0.300 . 1 . . . . 49 GLU CB . 10247 1 476 . 1 1 49 49 GLU CG C 13 36.713 0.300 . 1 . . . . 49 GLU CG . 10247 1 477 . 1 1 49 49 GLU N N 15 116.307 0.300 . 1 . . . . 49 GLU N . 10247 1 478 . 1 1 50 50 ALA H H 1 8.498 0.030 . 1 . . . . 50 ALA H . 10247 1 479 . 1 1 50 50 ALA HA H 1 4.388 0.030 . 1 . . . . 50 ALA HA . 10247 1 480 . 1 1 50 50 ALA HB1 H 1 1.513 0.030 . 1 . . . . 50 ALA HB . 10247 1 481 . 1 1 50 50 ALA HB2 H 1 1.513 0.030 . 1 . . . . 50 ALA HB . 10247 1 482 . 1 1 50 50 ALA HB3 H 1 1.513 0.030 . 1 . . . . 50 ALA HB . 10247 1 483 . 1 1 50 50 ALA C C 13 178.362 0.300 . 1 . . . . 50 ALA C . 10247 1 484 . 1 1 50 50 ALA CA C 13 53.111 0.300 . 1 . . . . 50 ALA CA . 10247 1 485 . 1 1 50 50 ALA CB C 13 20.334 0.300 . 1 . . . . 50 ALA CB . 10247 1 486 . 1 1 50 50 ALA N N 15 124.211 0.300 . 1 . . . . 50 ALA N . 10247 1 487 . 1 1 51 51 THR H H 1 8.470 0.030 . 1 . . . . 51 THR H . 10247 1 488 . 1 1 51 51 THR HA H 1 3.811 0.030 . 1 . . . . 51 THR HA . 10247 1 489 . 1 1 51 51 THR HB H 1 3.986 0.030 . 1 . . . . 51 THR HB . 10247 1 490 . 1 1 51 51 THR HG21 H 1 0.979 0.030 . 1 . . . . 51 THR HG2 . 10247 1 491 . 1 1 51 51 THR HG22 H 1 0.979 0.030 . 1 . . . . 51 THR HG2 . 10247 1 492 . 1 1 51 51 THR HG23 H 1 0.979 0.030 . 1 . . . . 51 THR HG2 . 10247 1 493 . 1 1 51 51 THR C C 13 173.931 0.300 . 1 . . . . 51 THR C . 10247 1 494 . 1 1 51 51 THR CA C 13 64.345 0.300 . 1 . . . . 51 THR CA . 10247 1 495 . 1 1 51 51 THR CB C 13 69.428 0.300 . 1 . . . . 51 THR CB . 10247 1 496 . 1 1 51 51 THR CG2 C 13 22.110 0.300 . 1 . . . . 51 THR CG2 . 10247 1 497 . 1 1 51 51 THR N N 15 117.025 0.300 . 1 . . . . 51 THR N . 10247 1 498 . 1 1 52 52 LEU H H 1 7.421 0.030 . 1 . . . . 52 LEU H . 10247 1 499 . 1 1 52 52 LEU HA H 1 4.439 0.030 . 1 . . . . 52 LEU HA . 10247 1 500 . 1 1 52 52 LEU HB2 H 1 0.600 0.030 . 2 . . . . 52 LEU HB2 . 10247 1 501 . 1 1 52 52 LEU HB3 H 1 0.431 0.030 . 2 . . . . 52 LEU HB3 . 10247 1 502 . 1 1 52 52 LEU HD11 H 1 -0.577 0.030 . 1 . . . . 52 LEU HD1 . 10247 1 503 . 1 1 52 52 LEU HD12 H 1 -0.577 0.030 . 1 . . . . 52 LEU HD1 . 10247 1 504 . 1 1 52 52 LEU HD13 H 1 -0.577 0.030 . 1 . . . . 52 LEU HD1 . 10247 1 505 . 1 1 52 52 LEU HD21 H 1 0.615 0.030 . 1 . . . . 52 LEU HD2 . 10247 1 506 . 1 1 52 52 LEU HD22 H 1 0.615 0.030 . 1 . . . . 52 LEU HD2 . 10247 1 507 . 1 1 52 52 LEU HD23 H 1 0.615 0.030 . 1 . . . . 52 LEU HD2 . 10247 1 508 . 1 1 52 52 LEU HG H 1 1.005 0.030 . 1 . . . . 52 LEU HG . 10247 1 509 . 1 1 52 52 LEU C C 13 175.390 0.300 . 1 . . . . 52 LEU C . 10247 1 510 . 1 1 52 52 LEU CA C 13 53.728 0.300 . 1 . . . . 52 LEU CA . 10247 1 511 . 1 1 52 52 LEU CB C 13 42.020 0.300 . 1 . . . . 52 LEU CB . 10247 1 512 . 1 1 52 52 LEU CD1 C 13 24.547 0.300 . 2 . . . . 52 LEU CD1 . 10247 1 513 . 1 1 52 52 LEU CD2 C 13 22.437 0.300 . 2 . . . . 52 LEU CD2 . 10247 1 514 . 1 1 52 52 LEU CG C 13 25.955 0.300 . 1 . . . . 52 LEU CG . 10247 1 515 . 1 1 52 52 LEU N N 15 125.339 0.300 . 1 . . . . 52 LEU N . 10247 1 516 . 1 1 53 53 TRP H H 1 8.089 0.030 . 1 . . . . 53 TRP H . 10247 1 517 . 1 1 53 53 TRP HA H 1 5.148 0.030 . 1 . . . . 53 TRP HA . 10247 1 518 . 1 1 53 53 TRP HB2 H 1 3.461 0.030 . 2 . . . . 53 TRP HB2 . 10247 1 519 . 1 1 53 53 TRP HB3 H 1 3.023 0.030 . 2 . . . . 53 TRP HB3 . 10247 1 520 . 1 1 53 53 TRP HD1 H 1 7.260 0.030 . 1 . . . . 53 TRP HD1 . 10247 1 521 . 1 1 53 53 TRP HE1 H 1 10.076 0.030 . 1 . . . . 53 TRP HE1 . 10247 1 522 . 1 1 53 53 TRP HE3 H 1 7.757 0.030 . 1 . . . . 53 TRP HE3 . 10247 1 523 . 1 1 53 53 TRP HH2 H 1 7.292 0.030 . 1 . . . . 53 TRP HH2 . 10247 1 524 . 1 1 53 53 TRP HZ2 H 1 7.549 0.030 . 1 . . . . 53 TRP HZ2 . 10247 1 525 . 1 1 53 53 TRP HZ3 H 1 7.201 0.030 . 1 . . . . 53 TRP HZ3 . 10247 1 526 . 1 1 53 53 TRP C C 13 173.534 0.300 . 1 . . . . 53 TRP C . 10247 1 527 . 1 1 53 53 TRP CA C 13 54.345 0.300 . 1 . . . . 53 TRP CA . 10247 1 528 . 1 1 53 53 TRP CB C 13 30.134 0.300 . 1 . . . . 53 TRP CB . 10247 1 529 . 1 1 53 53 TRP CD1 C 13 128.511 0.300 . 1 . . . . 53 TRP CD1 . 10247 1 530 . 1 1 53 53 TRP CE3 C 13 120.766 0.300 . 1 . . . . 53 TRP CE3 . 10247 1 531 . 1 1 53 53 TRP CH2 C 13 124.576 0.300 . 1 . . . . 53 TRP CH2 . 10247 1 532 . 1 1 53 53 TRP CZ2 C 13 114.760 0.300 . 1 . . . . 53 TRP CZ2 . 10247 1 533 . 1 1 53 53 TRP CZ3 C 13 122.097 0.300 . 1 . . . . 53 TRP CZ3 . 10247 1 534 . 1 1 53 53 TRP N N 15 120.731 0.300 . 1 . . . . 53 TRP N . 10247 1 535 . 1 1 53 53 TRP NE1 N 15 129.530 0.300 . 1 . . . . 53 TRP NE1 . 10247 1 536 . 1 1 54 54 PRO HA H 1 4.553 0.030 . 1 . . . . 54 PRO HA . 10247 1 537 . 1 1 54 54 PRO HB2 H 1 2.548 0.030 . 2 . . . . 54 PRO HB2 . 10247 1 538 . 1 1 54 54 PRO HB3 H 1 2.093 0.030 . 2 . . . . 54 PRO HB3 . 10247 1 539 . 1 1 54 54 PRO HD2 H 1 4.188 0.030 . 2 . . . . 54 PRO HD2 . 10247 1 540 . 1 1 54 54 PRO HD3 H 1 4.035 0.030 . 2 . . . . 54 PRO HD3 . 10247 1 541 . 1 1 54 54 PRO HG2 H 1 2.389 0.030 . 2 . . . . 54 PRO HG2 . 10247 1 542 . 1 1 54 54 PRO HG3 H 1 2.206 0.030 . 2 . . . . 54 PRO HG3 . 10247 1 543 . 1 1 54 54 PRO CA C 13 64.882 0.300 . 1 . . . . 54 PRO CA . 10247 1 544 . 1 1 54 54 PRO CB C 13 31.969 0.300 . 1 . . . . 54 PRO CB . 10247 1 545 . 1 1 54 54 PRO CD C 13 51.254 0.300 . 1 . . . . 54 PRO CD . 10247 1 546 . 1 1 54 54 PRO CG C 13 28.160 0.300 . 1 . . . . 54 PRO CG . 10247 1 547 . 1 1 55 55 GLY HA2 H 1 4.330 0.030 . 2 . . . . 55 GLY HA2 . 10247 1 548 . 1 1 55 55 GLY HA3 H 1 3.795 0.030 . 2 . . . . 55 GLY HA3 . 10247 1 549 . 1 1 55 55 GLY C C 13 175.195 0.300 . 1 . . . . 55 GLY C . 10247 1 550 . 1 1 55 55 GLY CA C 13 45.586 0.300 . 1 . . . . 55 GLY CA . 10247 1 551 . 1 1 56 56 GLY H H 1 8.653 0.030 . 1 . . . . 56 GLY H . 10247 1 552 . 1 1 56 56 GLY HA2 H 1 4.567 0.030 . 2 . . . . 56 GLY HA2 . 10247 1 553 . 1 1 56 56 GLY HA3 H 1 3.380 0.030 . 2 . . . . 56 GLY HA3 . 10247 1 554 . 1 1 56 56 GLY C C 13 174.377 0.300 . 1 . . . . 56 GLY C . 10247 1 555 . 1 1 56 56 GLY CA C 13 45.237 0.300 . 1 . . . . 56 GLY CA . 10247 1 556 . 1 1 56 56 GLY N N 15 107.803 0.300 . 1 . . . . 56 GLY N . 10247 1 557 . 1 1 57 57 TYR H H 1 7.269 0.030 . 1 . . . . 57 TYR H . 10247 1 558 . 1 1 57 57 TYR HA H 1 5.600 0.030 . 1 . . . . 57 TYR HA . 10247 1 559 . 1 1 57 57 TYR HB2 H 1 2.944 0.030 . 2 . . . . 57 TYR HB2 . 10247 1 560 . 1 1 57 57 TYR HB3 H 1 2.740 0.030 . 2 . . . . 57 TYR HB3 . 10247 1 561 . 1 1 57 57 TYR HD1 H 1 6.964 0.030 . 1 . . . . 57 TYR HD1 . 10247 1 562 . 1 1 57 57 TYR HD2 H 1 6.964 0.030 . 1 . . . . 57 TYR HD2 . 10247 1 563 . 1 1 57 57 TYR HE1 H 1 6.848 0.030 . 1 . . . . 57 TYR HE1 . 10247 1 564 . 1 1 57 57 TYR HE2 H 1 6.848 0.030 . 1 . . . . 57 TYR HE2 . 10247 1 565 . 1 1 57 57 TYR C C 13 173.258 0.300 . 1 . . . . 57 TYR C . 10247 1 566 . 1 1 57 57 TYR CA C 13 55.666 0.300 . 1 . . . . 57 TYR CA . 10247 1 567 . 1 1 57 57 TYR CB C 13 44.451 0.300 . 1 . . . . 57 TYR CB . 10247 1 568 . 1 1 57 57 TYR CD1 C 13 133.877 0.300 . 1 . . . . 57 TYR CD1 . 10247 1 569 . 1 1 57 57 TYR CD2 C 13 133.877 0.300 . 1 . . . . 57 TYR CD2 . 10247 1 570 . 1 1 57 57 TYR CE1 C 13 118.092 0.300 . 1 . . . . 57 TYR CE1 . 10247 1 571 . 1 1 57 57 TYR CE2 C 13 118.092 0.300 . 1 . . . . 57 TYR CE2 . 10247 1 572 . 1 1 57 57 TYR N N 15 116.315 0.300 . 1 . . . . 57 TYR N . 10247 1 573 . 1 1 58 58 GLU H H 1 8.948 0.030 . 1 . . . . 58 GLU H . 10247 1 574 . 1 1 58 58 GLU HA H 1 4.546 0.030 . 1 . . . . 58 GLU HA . 10247 1 575 . 1 1 58 58 GLU HB2 H 1 2.074 0.030 . 2 . . . . 58 GLU HB2 . 10247 1 576 . 1 1 58 58 GLU HB3 H 1 1.858 0.030 . 2 . . . . 58 GLU HB3 . 10247 1 577 . 1 1 58 58 GLU HG2 H 1 2.298 0.030 . 1 . . . . 58 GLU HG2 . 10247 1 578 . 1 1 58 58 GLU HG3 H 1 2.298 0.030 . 1 . . . . 58 GLU HG3 . 10247 1 579 . 1 1 58 58 GLU C C 13 174.242 0.300 . 1 . . . . 58 GLU C . 10247 1 580 . 1 1 58 58 GLU CA C 13 55.790 0.300 . 1 . . . . 58 GLU CA . 10247 1 581 . 1 1 58 58 GLU CB C 13 35.177 0.300 . 1 . . . . 58 GLU CB . 10247 1 582 . 1 1 58 58 GLU CG C 13 36.191 0.300 . 1 . . . . 58 GLU CG . 10247 1 583 . 1 1 58 58 GLU N N 15 117.931 0.300 . 1 . . . . 58 GLU N . 10247 1 584 . 1 1 59 59 GLN H H 1 9.205 0.030 . 1 . . . . 59 GLN H . 10247 1 585 . 1 1 59 59 GLN HA H 1 4.760 0.030 . 1 . . . . 59 GLN HA . 10247 1 586 . 1 1 59 59 GLN HB2 H 1 1.922 0.030 . 2 . . . . 59 GLN HB2 . 10247 1 587 . 1 1 59 59 GLN HB3 H 1 1.410 0.030 . 2 . . . . 59 GLN HB3 . 10247 1 588 . 1 1 59 59 GLN HE21 H 1 7.206 0.030 . 2 . . . . 59 GLN HE21 . 10247 1 589 . 1 1 59 59 GLN HE22 H 1 6.589 0.030 . 2 . . . . 59 GLN HE22 . 10247 1 590 . 1 1 59 59 GLN HG2 H 1 1.620 0.030 . 2 . . . . 59 GLN HG2 . 10247 1 591 . 1 1 59 59 GLN HG3 H 1 1.013 0.030 . 2 . . . . 59 GLN HG3 . 10247 1 592 . 1 1 59 59 GLN C C 13 175.807 0.300 . 1 . . . . 59 GLN C . 10247 1 593 . 1 1 59 59 GLN CA C 13 53.904 0.300 . 1 . . . . 59 GLN CA . 10247 1 594 . 1 1 59 59 GLN CB C 13 29.530 0.300 . 1 . . . . 59 GLN CB . 10247 1 595 . 1 1 59 59 GLN CG C 13 32.687 0.300 . 1 . . . . 59 GLN CG . 10247 1 596 . 1 1 59 59 GLN N N 15 123.928 0.300 . 1 . . . . 59 GLN N . 10247 1 597 . 1 1 59 59 GLN NE2 N 15 110.797 0.300 . 1 . . . . 59 GLN NE2 . 10247 1 598 . 1 1 60 60 HIS H H 1 9.330 0.030 . 1 . . . . 60 HIS H . 10247 1 599 . 1 1 60 60 HIS HA H 1 4.945 0.030 . 1 . . . . 60 HIS HA . 10247 1 600 . 1 1 60 60 HIS HB2 H 1 4.256 0.030 . 2 . . . . 60 HIS HB2 . 10247 1 601 . 1 1 60 60 HIS HB3 H 1 2.977 0.030 . 2 . . . . 60 HIS HB3 . 10247 1 602 . 1 1 60 60 HIS HD2 H 1 7.059 0.030 . 1 . . . . 60 HIS HD2 . 10247 1 603 . 1 1 60 60 HIS HE1 H 1 7.829 0.030 . 1 . . . . 60 HIS HE1 . 10247 1 604 . 1 1 60 60 HIS C C 13 175.428 0.300 . 1 . . . . 60 HIS C . 10247 1 605 . 1 1 60 60 HIS CA C 13 54.556 0.300 . 1 . . . . 60 HIS CA . 10247 1 606 . 1 1 60 60 HIS CB C 13 32.329 0.300 . 1 . . . . 60 HIS CB . 10247 1 607 . 1 1 60 60 HIS CD2 C 13 118.391 0.300 . 1 . . . . 60 HIS CD2 . 10247 1 608 . 1 1 60 60 HIS CE1 C 13 139.475 0.300 . 1 . . . . 60 HIS CE1 . 10247 1 609 . 1 1 60 60 HIS N N 15 131.634 0.300 . 1 . . . . 60 HIS N . 10247 1 610 . 1 1 61 61 PRO HA H 1 4.269 0.030 . 1 . . . . 61 PRO HA . 10247 1 611 . 1 1 61 61 PRO HB2 H 1 2.241 0.030 . 2 . . . . 61 PRO HB2 . 10247 1 612 . 1 1 61 61 PRO HB3 H 1 1.836 0.030 . 2 . . . . 61 PRO HB3 . 10247 1 613 . 1 1 61 61 PRO HD2 H 1 4.031 0.030 . 2 . . . . 61 PRO HD2 . 10247 1 614 . 1 1 61 61 PRO HD3 H 1 3.339 0.030 . 2 . . . . 61 PRO HD3 . 10247 1 615 . 1 1 61 61 PRO HG2 H 1 1.961 0.030 . 2 . . . . 61 PRO HG2 . 10247 1 616 . 1 1 61 61 PRO HG3 H 1 1.851 0.030 . 2 . . . . 61 PRO HG3 . 10247 1 617 . 1 1 61 61 PRO CA C 13 64.043 0.300 . 1 . . . . 61 PRO CA . 10247 1 618 . 1 1 61 61 PRO CB C 13 31.752 0.300 . 1 . . . . 61 PRO CB . 10247 1 619 . 1 1 61 61 PRO CD C 13 50.937 0.300 . 1 . . . . 61 PRO CD . 10247 1 620 . 1 1 61 61 PRO CG C 13 27.252 0.300 . 1 . . . . 61 PRO CG . 10247 1 621 . 1 1 62 62 GLY H H 1 7.210 0.030 . 1 . . . . 62 GLY H . 10247 1 622 . 1 1 62 62 GLY HA2 H 1 3.928 0.030 . 2 . . . . 62 GLY HA2 . 10247 1 623 . 1 1 62 62 GLY HA3 H 1 3.666 0.030 . 2 . . . . 62 GLY HA3 . 10247 1 624 . 1 1 62 62 GLY CA C 13 46.610 0.300 . 1 . . . . 62 GLY CA . 10247 1 625 . 1 1 62 62 GLY N N 15 105.065 0.300 . 1 . . . . 62 GLY N . 10247 1 626 . 1 1 63 63 ASP H H 1 8.237 0.030 . 1 . . . . 63 ASP H . 10247 1 627 . 1 1 63 63 ASP HA H 1 4.648 0.030 . 1 . . . . 63 ASP HA . 10247 1 628 . 1 1 63 63 ASP HB2 H 1 2.878 0.030 . 2 . . . . 63 ASP HB2 . 10247 1 629 . 1 1 63 63 ASP HB3 H 1 2.574 0.030 . 2 . . . . 63 ASP HB3 . 10247 1 630 . 1 1 63 63 ASP C C 13 177.303 0.300 . 1 . . . . 63 ASP C . 10247 1 631 . 1 1 63 63 ASP CA C 13 53.182 0.300 . 1 . . . . 63 ASP CA . 10247 1 632 . 1 1 63 63 ASP CB C 13 42.216 0.300 . 1 . . . . 63 ASP CB . 10247 1 633 . 1 1 63 63 ASP N N 15 118.685 0.300 . 1 . . . . 63 ASP N . 10247 1 634 . 1 1 64 64 GLY H H 1 8.315 0.030 . 1 . . . . 64 GLY H . 10247 1 635 . 1 1 64 64 GLY HA2 H 1 3.900 0.030 . 2 . . . . 64 GLY HA2 . 10247 1 636 . 1 1 64 64 GLY HA3 H 1 3.635 0.030 . 2 . . . . 64 GLY HA3 . 10247 1 637 . 1 1 64 64 GLY C C 13 174.457 0.300 . 1 . . . . 64 GLY C . 10247 1 638 . 1 1 64 64 GLY CA C 13 46.004 0.300 . 1 . . . . 64 GLY CA . 10247 1 639 . 1 1 64 64 GLY N N 15 109.742 0.300 . 1 . . . . 64 GLY N . 10247 1 640 . 1 1 65 65 HIS H H 1 9.101 0.030 . 1 . . . . 65 HIS H . 10247 1 641 . 1 1 65 65 HIS HA H 1 4.675 0.030 . 1 . . . . 65 HIS HA . 10247 1 642 . 1 1 65 65 HIS HB2 H 1 3.030 0.030 . 2 . . . . 65 HIS HB2 . 10247 1 643 . 1 1 65 65 HIS HB3 H 1 2.307 0.030 . 2 . . . . 65 HIS HB3 . 10247 1 644 . 1 1 65 65 HIS HD2 H 1 6.454 0.030 . 1 . . . . 65 HIS HD2 . 10247 1 645 . 1 1 65 65 HIS C C 13 173.603 0.300 . 1 . . . . 65 HIS C . 10247 1 646 . 1 1 65 65 HIS CA C 13 55.208 0.300 . 1 . . . . 65 HIS CA . 10247 1 647 . 1 1 65 65 HIS CB C 13 30.321 0.300 . 1 . . . . 65 HIS CB . 10247 1 648 . 1 1 65 65 HIS CD2 C 13 119.156 0.300 . 1 . . . . 65 HIS CD2 . 10247 1 649 . 1 1 65 65 HIS N N 15 121.111 0.300 . 1 . . . . 65 HIS N . 10247 1 650 . 1 1 66 66 PHE H H 1 8.841 0.030 . 1 . . . . 66 PHE H . 10247 1 651 . 1 1 66 66 PHE HA H 1 5.005 0.030 . 1 . . . . 66 PHE HA . 10247 1 652 . 1 1 66 66 PHE HB2 H 1 2.603 0.030 . 2 . . . . 66 PHE HB2 . 10247 1 653 . 1 1 66 66 PHE HB3 H 1 2.288 0.030 . 2 . . . . 66 PHE HB3 . 10247 1 654 . 1 1 66 66 PHE HD1 H 1 7.165 0.030 . 1 . . . . 66 PHE HD1 . 10247 1 655 . 1 1 66 66 PHE HD2 H 1 7.165 0.030 . 1 . . . . 66 PHE HD2 . 10247 1 656 . 1 1 66 66 PHE HE1 H 1 7.323 0.030 . 1 . . . . 66 PHE HE1 . 10247 1 657 . 1 1 66 66 PHE HE2 H 1 7.323 0.030 . 1 . . . . 66 PHE HE2 . 10247 1 658 . 1 1 66 66 PHE HZ H 1 7.183 0.030 . 1 . . . . 66 PHE HZ . 10247 1 659 . 1 1 66 66 PHE C C 13 174.272 0.300 . 1 . . . . 66 PHE C . 10247 1 660 . 1 1 66 66 PHE CA C 13 57.904 0.300 . 1 . . . . 66 PHE CA . 10247 1 661 . 1 1 66 66 PHE CB C 13 40.990 0.300 . 1 . . . . 66 PHE CB . 10247 1 662 . 1 1 66 66 PHE CD1 C 13 131.501 0.300 . 1 . . . . 66 PHE CD1 . 10247 1 663 . 1 1 66 66 PHE CD2 C 13 131.501 0.300 . 1 . . . . 66 PHE CD2 . 10247 1 664 . 1 1 66 66 PHE CE1 C 13 131.523 0.300 . 1 . . . . 66 PHE CE1 . 10247 1 665 . 1 1 66 66 PHE CE2 C 13 131.523 0.300 . 1 . . . . 66 PHE CE2 . 10247 1 666 . 1 1 66 66 PHE CZ C 13 129.914 0.300 . 1 . . . . 66 PHE CZ . 10247 1 667 . 1 1 66 66 PHE N N 15 118.465 0.300 . 1 . . . . 66 PHE N . 10247 1 668 . 1 1 67 67 TYR H H 1 8.714 0.030 . 1 . . . . 67 TYR H . 10247 1 669 . 1 1 67 67 TYR HA H 1 5.676 0.030 . 1 . . . . 67 TYR HA . 10247 1 670 . 1 1 67 67 TYR HB2 H 1 3.371 0.030 . 2 . . . . 67 TYR HB2 . 10247 1 671 . 1 1 67 67 TYR HB3 H 1 2.670 0.030 . 2 . . . . 67 TYR HB3 . 10247 1 672 . 1 1 67 67 TYR HD1 H 1 7.225 0.030 . 1 . . . . 67 TYR HD1 . 10247 1 673 . 1 1 67 67 TYR HD2 H 1 7.225 0.030 . 1 . . . . 67 TYR HD2 . 10247 1 674 . 1 1 67 67 TYR HE1 H 1 7.272 0.030 . 1 . . . . 67 TYR HE1 . 10247 1 675 . 1 1 67 67 TYR HE2 H 1 7.272 0.030 . 1 . . . . 67 TYR HE2 . 10247 1 676 . 1 1 67 67 TYR C C 13 176.345 0.300 . 1 . . . . 67 TYR C . 10247 1 677 . 1 1 67 67 TYR CA C 13 56.829 0.300 . 1 . . . . 67 TYR CA . 10247 1 678 . 1 1 67 67 TYR CB C 13 43.668 0.300 . 1 . . . . 67 TYR CB . 10247 1 679 . 1 1 67 67 TYR CD1 C 13 134.593 0.300 . 1 . . . . 67 TYR CD1 . 10247 1 680 . 1 1 67 67 TYR CD2 C 13 134.593 0.300 . 1 . . . . 67 TYR CD2 . 10247 1 681 . 1 1 67 67 TYR CE1 C 13 118.999 0.300 . 1 . . . . 67 TYR CE1 . 10247 1 682 . 1 1 67 67 TYR CE2 C 13 118.999 0.300 . 1 . . . . 67 TYR CE2 . 10247 1 683 . 1 1 67 67 TYR N N 15 117.828 0.300 . 1 . . . . 67 TYR N . 10247 1 684 . 1 1 68 68 CYS H H 1 9.524 0.030 . 1 . . . . 68 CYS H . 10247 1 685 . 1 1 68 68 CYS HA H 1 5.152 0.030 . 1 . . . . 68 CYS HA . 10247 1 686 . 1 1 68 68 CYS HB2 H 1 3.388 0.030 . 2 . . . . 68 CYS HB2 . 10247 1 687 . 1 1 68 68 CYS HB3 H 1 2.973 0.030 . 2 . . . . 68 CYS HB3 . 10247 1 688 . 1 1 68 68 CYS C C 13 176.563 0.300 . 1 . . . . 68 CYS C . 10247 1 689 . 1 1 68 68 CYS CA C 13 58.468 0.300 . 1 . . . . 68 CYS CA . 10247 1 690 . 1 1 68 68 CYS CB C 13 29.373 0.300 . 1 . . . . 68 CYS CB . 10247 1 691 . 1 1 68 68 CYS N N 15 120.631 0.300 . 1 . . . . 68 CYS N . 10247 1 692 . 1 1 69 69 LEU H H 1 7.630 0.030 . 1 . . . . 69 LEU H . 10247 1 693 . 1 1 69 69 LEU HA H 1 3.952 0.030 . 1 . . . . 69 LEU HA . 10247 1 694 . 1 1 69 69 LEU HB2 H 1 1.798 0.030 . 2 . . . . 69 LEU HB2 . 10247 1 695 . 1 1 69 69 LEU HB3 H 1 1.512 0.030 . 2 . . . . 69 LEU HB3 . 10247 1 696 . 1 1 69 69 LEU HD11 H 1 1.025 0.030 . 1 . . . . 69 LEU HD1 . 10247 1 697 . 1 1 69 69 LEU HD12 H 1 1.025 0.030 . 1 . . . . 69 LEU HD1 . 10247 1 698 . 1 1 69 69 LEU HD13 H 1 1.025 0.030 . 1 . . . . 69 LEU HD1 . 10247 1 699 . 1 1 69 69 LEU HD21 H 1 0.763 0.030 . 1 . . . . 69 LEU HD2 . 10247 1 700 . 1 1 69 69 LEU HD22 H 1 0.763 0.030 . 1 . . . . 69 LEU HD2 . 10247 1 701 . 1 1 69 69 LEU HD23 H 1 0.763 0.030 . 1 . . . . 69 LEU HD2 . 10247 1 702 . 1 1 69 69 LEU HG H 1 1.498 0.030 . 1 . . . . 69 LEU HG . 10247 1 703 . 1 1 69 69 LEU C C 13 179.373 0.300 . 1 . . . . 69 LEU C . 10247 1 704 . 1 1 69 69 LEU CA C 13 58.080 0.300 . 1 . . . . 69 LEU CA . 10247 1 705 . 1 1 69 69 LEU CB C 13 40.125 0.300 . 1 . . . . 69 LEU CB . 10247 1 706 . 1 1 69 69 LEU CD1 C 13 25.166 0.300 . 2 . . . . 69 LEU CD1 . 10247 1 707 . 1 1 69 69 LEU CD2 C 13 21.681 0.300 . 2 . . . . 69 LEU CD2 . 10247 1 708 . 1 1 69 69 LEU CG C 13 27.320 0.300 . 1 . . . . 69 LEU CG . 10247 1 709 . 1 1 69 69 LEU N N 15 117.279 0.300 . 1 . . . . 69 LEU N . 10247 1 710 . 1 1 70 70 GLN H H 1 8.159 0.030 . 1 . . . . 70 GLN H . 10247 1 711 . 1 1 70 70 GLN HA H 1 4.106 0.030 . 1 . . . . 70 GLN HA . 10247 1 712 . 1 1 70 70 GLN HB2 H 1 1.676 0.030 . 2 . . . . 70 GLN HB2 . 10247 1 713 . 1 1 70 70 GLN HB3 H 1 1.572 0.030 . 2 . . . . 70 GLN HB3 . 10247 1 714 . 1 1 70 70 GLN HE21 H 1 7.423 0.030 . 2 . . . . 70 GLN HE21 . 10247 1 715 . 1 1 70 70 GLN HE22 H 1 6.842 0.030 . 2 . . . . 70 GLN HE22 . 10247 1 716 . 1 1 70 70 GLN HG2 H 1 2.118 0.030 . 2 . . . . 70 GLN HG2 . 10247 1 717 . 1 1 70 70 GLN HG3 H 1 1.980 0.030 . 2 . . . . 70 GLN HG3 . 10247 1 718 . 1 1 70 70 GLN C C 13 177.094 0.300 . 1 . . . . 70 GLN C . 10247 1 719 . 1 1 70 70 GLN CA C 13 57.781 0.300 . 1 . . . . 70 GLN CA . 10247 1 720 . 1 1 70 70 GLN CB C 13 28.537 0.300 . 1 . . . . 70 GLN CB . 10247 1 721 . 1 1 70 70 GLN CG C 13 33.664 0.300 . 1 . . . . 70 GLN CG . 10247 1 722 . 1 1 70 70 GLN N N 15 115.749 0.300 . 1 . . . . 70 GLN N . 10247 1 723 . 1 1 70 70 GLN NE2 N 15 112.069 0.300 . 1 . . . . 70 GLN NE2 . 10247 1 724 . 1 1 71 71 HIS H H 1 7.651 0.030 . 1 . . . . 71 HIS H . 10247 1 725 . 1 1 71 71 HIS HA H 1 4.917 0.030 . 1 . . . . 71 HIS HA . 10247 1 726 . 1 1 71 71 HIS HB2 H 1 3.712 0.030 . 2 . . . . 71 HIS HB2 . 10247 1 727 . 1 1 71 71 HIS HB3 H 1 3.205 0.030 . 2 . . . . 71 HIS HB3 . 10247 1 728 . 1 1 71 71 HIS HD2 H 1 7.319 0.030 . 1 . . . . 71 HIS HD2 . 10247 1 729 . 1 1 71 71 HIS HE1 H 1 7.897 0.030 . 1 . . . . 71 HIS HE1 . 10247 1 730 . 1 1 71 71 HIS C C 13 173.431 0.300 . 1 . . . . 71 HIS C . 10247 1 731 . 1 1 71 71 HIS CA C 13 56.142 0.300 . 1 . . . . 71 HIS CA . 10247 1 732 . 1 1 71 71 HIS CB C 13 33.010 0.300 . 1 . . . . 71 HIS CB . 10247 1 733 . 1 1 71 71 HIS CD2 C 13 118.364 0.300 . 1 . . . . 71 HIS CD2 . 10247 1 734 . 1 1 71 71 HIS CE1 C 13 139.392 0.300 . 1 . . . . 71 HIS CE1 . 10247 1 735 . 1 1 71 71 HIS N N 15 116.846 0.300 . 1 . . . . 71 HIS N . 10247 1 736 . 1 1 72 72 LEU H H 1 7.154 0.030 . 1 . . . . 72 LEU H . 10247 1 737 . 1 1 72 72 LEU HA H 1 3.772 0.030 . 1 . . . . 72 LEU HA . 10247 1 738 . 1 1 72 72 LEU HB2 H 1 1.711 0.030 . 2 . . . . 72 LEU HB2 . 10247 1 739 . 1 1 72 72 LEU HB3 H 1 1.397 0.030 . 2 . . . . 72 LEU HB3 . 10247 1 740 . 1 1 72 72 LEU HD11 H 1 0.962 0.030 . 1 . . . . 72 LEU HD1 . 10247 1 741 . 1 1 72 72 LEU HD12 H 1 0.962 0.030 . 1 . . . . 72 LEU HD1 . 10247 1 742 . 1 1 72 72 LEU HD13 H 1 0.962 0.030 . 1 . . . . 72 LEU HD1 . 10247 1 743 . 1 1 72 72 LEU HD21 H 1 0.882 0.030 . 1 . . . . 72 LEU HD2 . 10247 1 744 . 1 1 72 72 LEU HD22 H 1 0.882 0.030 . 1 . . . . 72 LEU HD2 . 10247 1 745 . 1 1 72 72 LEU HD23 H 1 0.882 0.030 . 1 . . . . 72 LEU HD2 . 10247 1 746 . 1 1 72 72 LEU HG H 1 1.709 0.030 . 1 . . . . 72 LEU HG . 10247 1 747 . 1 1 72 72 LEU C C 13 174.748 0.300 . 1 . . . . 72 LEU C . 10247 1 748 . 1 1 72 72 LEU CA C 13 53.499 0.300 . 1 . . . . 72 LEU CA . 10247 1 749 . 1 1 72 72 LEU CB C 13 42.729 0.300 . 1 . . . . 72 LEU CB . 10247 1 750 . 1 1 72 72 LEU CD1 C 13 24.624 0.300 . 2 . . . . 72 LEU CD1 . 10247 1 751 . 1 1 72 72 LEU CD2 C 13 25.938 0.300 . 2 . . . . 72 LEU CD2 . 10247 1 752 . 1 1 72 72 LEU CG C 13 26.145 0.300 . 1 . . . . 72 LEU CG . 10247 1 753 . 1 1 72 72 LEU N N 15 124.029 0.300 . 1 . . . . 72 LEU N . 10247 1 754 . 1 1 73 73 PRO HA H 1 4.145 0.030 . 1 . . . . 73 PRO HA . 10247 1 755 . 1 1 73 73 PRO HB2 H 1 2.080 0.030 . 2 . . . . 73 PRO HB2 . 10247 1 756 . 1 1 73 73 PRO HB3 H 1 1.189 0.030 . 2 . . . . 73 PRO HB3 . 10247 1 757 . 1 1 73 73 PRO HD2 H 1 2.565 0.030 . 2 . . . . 73 PRO HD2 . 10247 1 758 . 1 1 73 73 PRO HD3 H 1 2.399 0.030 . 2 . . . . 73 PRO HD3 . 10247 1 759 . 1 1 73 73 PRO HG2 H 1 1.320 0.030 . 2 . . . . 73 PRO HG2 . 10247 1 760 . 1 1 73 73 PRO HG3 H 1 1.193 0.030 . 2 . . . . 73 PRO HG3 . 10247 1 761 . 1 1 73 73 PRO C C 13 175.785 0.300 . 1 . . . . 73 PRO C . 10247 1 762 . 1 1 73 73 PRO CA C 13 63.050 0.300 . 1 . . . . 73 PRO CA . 10247 1 763 . 1 1 73 73 PRO CB C 13 32.055 0.300 . 1 . . . . 73 PRO CB . 10247 1 764 . 1 1 73 73 PRO CD C 13 50.719 0.300 . 1 . . . . 73 PRO CD . 10247 1 765 . 1 1 73 73 PRO CG C 13 27.650 0.300 . 1 . . . . 73 PRO CG . 10247 1 766 . 1 1 74 74 GLN H H 1 8.359 0.030 . 1 . . . . 74 GLN H . 10247 1 767 . 1 1 74 74 GLN HA H 1 4.386 0.030 . 1 . . . . 74 GLN HA . 10247 1 768 . 1 1 74 74 GLN HB2 H 1 2.148 0.030 . 2 . . . . 74 GLN HB2 . 10247 1 769 . 1 1 74 74 GLN HB3 H 1 1.959 0.030 . 2 . . . . 74 GLN HB3 . 10247 1 770 . 1 1 74 74 GLN HE21 H 1 7.571 0.030 . 2 . . . . 74 GLN HE21 . 10247 1 771 . 1 1 74 74 GLN HE22 H 1 6.848 0.030 . 2 . . . . 74 GLN HE22 . 10247 1 772 . 1 1 74 74 GLN HG2 H 1 2.402 0.030 . 1 . . . . 74 GLN HG2 . 10247 1 773 . 1 1 74 74 GLN HG3 H 1 2.402 0.030 . 1 . . . . 74 GLN HG3 . 10247 1 774 . 1 1 74 74 GLN C C 13 176.731 0.300 . 1 . . . . 74 GLN C . 10247 1 775 . 1 1 74 74 GLN CA C 13 55.526 0.300 . 1 . . . . 74 GLN CA . 10247 1 776 . 1 1 74 74 GLN CB C 13 29.817 0.300 . 1 . . . . 74 GLN CB . 10247 1 777 . 1 1 74 74 GLN CG C 13 33.758 0.300 . 1 . . . . 74 GLN CG . 10247 1 778 . 1 1 74 74 GLN N N 15 120.467 0.300 . 1 . . . . 74 GLN N . 10247 1 779 . 1 1 74 74 GLN NE2 N 15 112.960 0.300 . 1 . . . . 74 GLN NE2 . 10247 1 780 . 1 1 75 75 THR H H 1 8.368 0.030 . 1 . . . . 75 THR H . 10247 1 781 . 1 1 75 75 THR HA H 1 4.390 0.030 . 1 . . . . 75 THR HA . 10247 1 782 . 1 1 75 75 THR HB H 1 4.221 0.030 . 1 . . . . 75 THR HB . 10247 1 783 . 1 1 75 75 THR HG21 H 1 1.201 0.030 . 1 . . . . 75 THR HG2 . 10247 1 784 . 1 1 75 75 THR HG22 H 1 1.201 0.030 . 1 . . . . 75 THR HG2 . 10247 1 785 . 1 1 75 75 THR HG23 H 1 1.201 0.030 . 1 . . . . 75 THR HG2 . 10247 1 786 . 1 1 75 75 THR C C 13 174.257 0.300 . 1 . . . . 75 THR C . 10247 1 787 . 1 1 75 75 THR CA C 13 61.993 0.300 . 1 . . . . 75 THR CA . 10247 1 788 . 1 1 75 75 THR CB C 13 69.991 0.300 . 1 . . . . 75 THR CB . 10247 1 789 . 1 1 75 75 THR CG2 C 13 21.641 0.300 . 1 . . . . 75 THR CG2 . 10247 1 790 . 1 1 75 75 THR N N 15 116.318 0.300 . 1 . . . . 75 THR N . 10247 1 791 . 1 1 76 76 ASP H H 1 8.528 0.030 . 1 . . . . 76 ASP H . 10247 1 792 . 1 1 76 76 ASP HA H 1 4.700 0.030 . 1 . . . . 76 ASP HA . 10247 1 793 . 1 1 76 76 ASP HB2 H 1 2.747 0.030 . 2 . . . . 76 ASP HB2 . 10247 1 794 . 1 1 76 76 ASP HB3 H 1 2.687 0.030 . 2 . . . . 76 ASP HB3 . 10247 1 795 . 1 1 76 76 ASP C C 13 176.200 0.300 . 1 . . . . 76 ASP C . 10247 1 796 . 1 1 76 76 ASP CA C 13 54.363 0.300 . 1 . . . . 76 ASP CA . 10247 1 797 . 1 1 76 76 ASP CB C 13 41.362 0.300 . 1 . . . . 76 ASP CB . 10247 1 798 . 1 1 76 76 ASP N N 15 123.204 0.300 . 1 . . . . 76 ASP N . 10247 1 799 . 1 1 77 77 SER H H 1 8.346 0.030 . 1 . . . . 77 SER H . 10247 1 800 . 1 1 77 77 SER HA H 1 4.497 0.030 . 1 . . . . 77 SER HA . 10247 1 801 . 1 1 77 77 SER HB2 H 1 3.901 0.030 . 1 . . . . 77 SER HB2 . 10247 1 802 . 1 1 77 77 SER HB3 H 1 3.901 0.030 . 1 . . . . 77 SER HB3 . 10247 1 803 . 1 1 77 77 SER C C 13 174.724 0.300 . 1 . . . . 77 SER C . 10247 1 804 . 1 1 77 77 SER CA C 13 58.451 0.300 . 1 . . . . 77 SER CA . 10247 1 805 . 1 1 77 77 SER CB C 13 64.101 0.300 . 1 . . . . 77 SER CB . 10247 1 806 . 1 1 77 77 SER N N 15 116.515 0.300 . 1 . . . . 77 SER N . 10247 1 807 . 1 1 78 78 GLY H H 1 8.330 0.030 . 1 . . . . 78 GLY H . 10247 1 808 . 1 1 78 78 GLY HA2 H 1 4.135 0.030 . 1 . . . . 78 GLY HA2 . 10247 1 809 . 1 1 78 78 GLY HA3 H 1 4.135 0.030 . 1 . . . . 78 GLY HA3 . 10247 1 810 . 1 1 78 78 GLY C C 13 171.883 0.300 . 1 . . . . 78 GLY C . 10247 1 811 . 1 1 78 78 GLY CA C 13 44.745 0.300 . 1 . . . . 78 GLY CA . 10247 1 812 . 1 1 78 78 GLY N N 15 110.837 0.300 . 1 . . . . 78 GLY N . 10247 1 813 . 1 1 79 79 PRO HA H 1 4.501 0.030 . 1 . . . . 79 PRO HA . 10247 1 814 . 1 1 79 79 PRO HB2 H 1 2.318 0.030 . 2 . . . . 79 PRO HB2 . 10247 1 815 . 1 1 79 79 PRO HB3 H 1 1.993 0.030 . 2 . . . . 79 PRO HB3 . 10247 1 816 . 1 1 79 79 PRO HD2 H 1 3.651 0.030 . 1 . . . . 79 PRO HD2 . 10247 1 817 . 1 1 79 79 PRO HD3 H 1 3.651 0.030 . 1 . . . . 79 PRO HD3 . 10247 1 818 . 1 1 79 79 PRO HG2 H 1 2.039 0.030 . 1 . . . . 79 PRO HG2 . 10247 1 819 . 1 1 79 79 PRO HG3 H 1 2.039 0.030 . 1 . . . . 79 PRO HG3 . 10247 1 820 . 1 1 79 79 PRO C C 13 177.463 0.300 . 1 . . . . 79 PRO C . 10247 1 821 . 1 1 79 79 PRO CA C 13 63.332 0.300 . 1 . . . . 79 PRO CA . 10247 1 822 . 1 1 79 79 PRO CB C 13 32.229 0.300 . 1 . . . . 79 PRO CB . 10247 1 823 . 1 1 79 79 PRO CD C 13 49.851 0.300 . 1 . . . . 79 PRO CD . 10247 1 824 . 1 1 79 79 PRO CG C 13 27.198 0.300 . 1 . . . . 79 PRO CG . 10247 1 825 . 1 1 80 80 SER H H 1 8.531 0.030 . 1 . . . . 80 SER H . 10247 1 826 . 1 1 80 80 SER HA H 1 4.521 0.030 . 1 . . . . 80 SER HA . 10247 1 827 . 1 1 80 80 SER HB2 H 1 3.925 0.030 . 1 . . . . 80 SER HB2 . 10247 1 828 . 1 1 80 80 SER HB3 H 1 3.925 0.030 . 1 . . . . 80 SER HB3 . 10247 1 829 . 1 1 80 80 SER C C 13 174.760 0.300 . 1 . . . . 80 SER C . 10247 1 830 . 1 1 80 80 SER CA C 13 58.398 0.300 . 1 . . . . 80 SER CA . 10247 1 831 . 1 1 80 80 SER CB C 13 63.978 0.300 . 1 . . . . 80 SER CB . 10247 1 832 . 1 1 80 80 SER N N 15 116.479 0.300 . 1 . . . . 80 SER N . 10247 1 833 . 1 1 81 81 SER H H 1 8.358 0.030 . 1 . . . . 81 SER H . 10247 1 834 . 1 1 81 81 SER HA H 1 4.530 0.030 . 1 . . . . 81 SER HA . 10247 1 835 . 1 1 81 81 SER HB2 H 1 3.901 0.030 . 1 . . . . 81 SER HB2 . 10247 1 836 . 1 1 81 81 SER HB3 H 1 3.901 0.030 . 1 . . . . 81 SER HB3 . 10247 1 837 . 1 1 81 81 SER C C 13 173.982 0.300 . 1 . . . . 81 SER C . 10247 1 838 . 1 1 81 81 SER CA C 13 58.416 0.300 . 1 . . . . 81 SER CA . 10247 1 839 . 1 1 81 81 SER CB C 13 64.082 0.300 . 1 . . . . 81 SER CB . 10247 1 840 . 1 1 81 81 SER N N 15 117.964 0.300 . 1 . . . . 81 SER N . 10247 1 841 . 1 1 82 82 GLY H H 1 8.061 0.030 . 1 . . . . 82 GLY H . 10247 1 842 . 1 1 82 82 GLY C C 13 179.094 0.300 . 1 . . . . 82 GLY C . 10247 1 843 . 1 1 82 82 GLY CA C 13 46.168 0.300 . 1 . . . . 82 GLY CA . 10247 1 844 . 1 1 82 82 GLY N N 15 116.916 0.300 . 1 . . . . 82 GLY N . 10247 1 stop_ save_