################################### # 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 16360 _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' . . . 16360 1 2 '3D HNCO' . . . 16360 1 3 '3D HNCA' . . . 16360 1 4 '3D HN(CO)CA' . . . 16360 1 5 '3D (HCA)CO(CA)NH' . . . 16360 1 6 '3D CBCA(CO)NH' . . . 16360 1 7 '3D HNCACB' . . . 16360 1 8 '3D C(CO)NH' . . . 16360 1 9 '3D HBHA(CO)NH' . . . 16360 1 10 '3D HCCH-TOCSY' . . . 16360 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY HA2 H 1 4.065 0.02 . 2 . . . . 1 GLY HA2 . 16360 1 2 . 1 1 2 2 GLY HA3 H 1 4.192 0.02 . 2 . . . . 1 GLY HA3 . 16360 1 3 . 1 1 2 2 GLY CA C 13 44.876 0.30 . 1 . . . . 1 GLY CA . 16360 1 4 . 1 1 3 3 SER H H 1 8.933 0.02 . 1 . . . . 2 SER H . 16360 1 5 . 1 1 3 3 SER HA H 1 4.653 0.02 . 1 . . . . 2 SER HA . 16360 1 6 . 1 1 3 3 SER HB2 H 1 4.057 0.02 . 2 . . . . 2 SER HB2 . 16360 1 7 . 1 1 3 3 SER HB3 H 1 4.071 0.02 . 2 . . . . 2 SER HB3 . 16360 1 8 . 1 1 3 3 SER C C 13 175.530 0.30 . 1 . . . . 2 SER C . 16360 1 9 . 1 1 3 3 SER CA C 13 57.162 0.30 . 1 . . . . 2 SER CA . 16360 1 10 . 1 1 3 3 SER CB C 13 65.356 0.30 . 1 . . . . 2 SER CB . 16360 1 11 . 1 1 3 3 SER N N 15 118.407 0.30 . 1 . . . . 2 SER N . 16360 1 12 . 1 1 4 4 GLU H H 1 9.211 0.02 . 1 . . . . 3 GLU H . 16360 1 13 . 1 1 4 4 GLU HA H 1 4.103 0.02 . 1 . . . . 3 GLU HA . 16360 1 14 . 1 1 4 4 GLU HB2 H 1 2.049 0.02 . 2 . . . . 3 GLU HB2 . 16360 1 15 . 1 1 4 4 GLU HB3 H 1 2.025 0.02 . 2 . . . . 3 GLU HB3 . 16360 1 16 . 1 1 4 4 GLU HG2 H 1 2.343 0.02 . 2 . . . . 3 GLU HG2 . 16360 1 17 . 1 1 4 4 GLU HG3 H 1 2.429 0.02 . 2 . . . . 3 GLU HG3 . 16360 1 18 . 1 1 4 4 GLU C C 13 179.164 0.30 . 1 . . . . 3 GLU C . 16360 1 19 . 1 1 4 4 GLU CA C 13 60.559 0.30 . 1 . . . . 3 GLU CA . 16360 1 20 . 1 1 4 4 GLU CB C 13 29.014 0.30 . 1 . . . . 3 GLU CB . 16360 1 21 . 1 1 4 4 GLU CG C 13 37.144 0.30 . 1 . . . . 3 GLU CG . 16360 1 22 . 1 1 4 4 GLU N N 15 122.893 0.30 . 1 . . . . 3 GLU N . 16360 1 23 . 1 1 5 5 LEU H H 1 8.851 0.02 . 1 . . . . 4 LEU H . 16360 1 24 . 1 1 5 5 LEU HA H 1 4.014 0.02 . 1 . . . . 4 LEU HA . 16360 1 25 . 1 1 5 5 LEU HB2 H 1 1.628 0.02 . 2 . . . . 4 LEU HB2 . 16360 1 26 . 1 1 5 5 LEU HB3 H 1 1.647 0.02 . 2 . . . . 4 LEU HB3 . 16360 1 27 . 1 1 5 5 LEU HD11 H 1 0.782 0.02 . 2 . . . . 4 LEU MD1 . 16360 1 28 . 1 1 5 5 LEU HD12 H 1 0.782 0.02 . 2 . . . . 4 LEU MD1 . 16360 1 29 . 1 1 5 5 LEU HD13 H 1 0.782 0.02 . 2 . . . . 4 LEU MD1 . 16360 1 30 . 1 1 5 5 LEU HD21 H 1 0.980 0.02 . 2 . . . . 4 LEU MD2 . 16360 1 31 . 1 1 5 5 LEU HD22 H 1 0.980 0.02 . 2 . . . . 4 LEU MD2 . 16360 1 32 . 1 1 5 5 LEU HD23 H 1 0.980 0.02 . 2 . . . . 4 LEU MD2 . 16360 1 33 . 1 1 5 5 LEU HG H 1 1.422 0.02 . 1 . . . . 4 LEU HG . 16360 1 34 . 1 1 5 5 LEU C C 13 178.352 0.30 . 1 . . . . 4 LEU C . 16360 1 35 . 1 1 5 5 LEU CA C 13 58.011 0.30 . 1 . . . . 4 LEU CA . 16360 1 36 . 1 1 5 5 LEU CB C 13 42.184 0.30 . 1 . . . . 4 LEU CB . 16360 1 37 . 1 1 5 5 LEU CD1 C 13 26.160 0.30 . 2 . . . . 4 LEU CD1 . 16360 1 38 . 1 1 5 5 LEU CD2 C 13 23.860 0.30 . 2 . . . . 4 LEU CD2 . 16360 1 39 . 1 1 5 5 LEU CG C 13 26.963 0.30 . 1 . . . . 4 LEU CG . 16360 1 40 . 1 1 5 5 LEU N N 15 120.846 0.30 . 1 . . . . 4 LEU N . 16360 1 41 . 1 1 6 6 GLU H H 1 7.809 0.02 . 1 . . . . 5 GLU H . 16360 1 42 . 1 1 6 6 GLU HA H 1 3.244 0.02 . 1 . . . . 5 GLU HA . 16360 1 43 . 1 1 6 6 GLU HB2 H 1 2.010 0.02 . 2 . . . . 5 GLU HB2 . 16360 1 44 . 1 1 6 6 GLU HB3 H 1 1.617 0.02 . 2 . . . . 5 GLU HB3 . 16360 1 45 . 1 1 6 6 GLU HG2 H 1 2.213 0.02 . 2 . . . . 5 GLU HG2 . 16360 1 46 . 1 1 6 6 GLU HG3 H 1 0.438 0.02 . 2 . . . . 5 GLU HG3 . 16360 1 47 . 1 1 6 6 GLU C C 13 179.215 0.30 . 1 . . . . 5 GLU C . 16360 1 48 . 1 1 6 6 GLU CA C 13 59.792 0.30 . 1 . . . . 5 GLU CA . 16360 1 49 . 1 1 6 6 GLU CB C 13 29.249 0.30 . 1 . . . . 5 GLU CB . 16360 1 50 . 1 1 6 6 GLU CG C 13 37.556 0.30 . 1 . . . . 5 GLU CG . 16360 1 51 . 1 1 6 6 GLU N N 15 118.557 0.30 . 1 . . . . 5 GLU N . 16360 1 52 . 1 1 7 7 THR H H 1 8.383 0.02 . 1 . . . . 6 THR H . 16360 1 53 . 1 1 7 7 THR HA H 1 4.003 0.02 . 1 . . . . 6 THR HA . 16360 1 54 . 1 1 7 7 THR HB H 1 4.374 0.02 . 1 . . . . 6 THR HB . 16360 1 55 . 1 1 7 7 THR HG21 H 1 1.279 0.02 . 1 . . . . 6 THR MG . 16360 1 56 . 1 1 7 7 THR HG22 H 1 1.279 0.02 . 1 . . . . 6 THR MG . 16360 1 57 . 1 1 7 7 THR HG23 H 1 1.279 0.02 . 1 . . . . 6 THR MG . 16360 1 58 . 1 1 7 7 THR C C 13 176.797 0.30 . 1 . . . . 6 THR C . 16360 1 59 . 1 1 7 7 THR CA C 13 66.673 0.30 . 1 . . . . 6 THR CA . 16360 1 60 . 1 1 7 7 THR CB C 13 68.709 0.30 . 1 . . . . 6 THR CB . 16360 1 61 . 1 1 7 7 THR CG2 C 13 21.587 0.30 . 1 . . . . 6 THR CG2 . 16360 1 62 . 1 1 7 7 THR N N 15 115.847 0.30 . 1 . . . . 6 THR N . 16360 1 63 . 1 1 8 8 ALA H H 1 8.278 0.02 . 1 . . . . 7 ALA H . 16360 1 64 . 1 1 8 8 ALA HA H 1 4.257 0.02 . 1 . . . . 7 ALA HA . 16360 1 65 . 1 1 8 8 ALA HB1 H 1 1.667 0.02 . 1 . . . . 7 ALA MB . 16360 1 66 . 1 1 8 8 ALA HB2 H 1 1.667 0.02 . 1 . . . . 7 ALA MB . 16360 1 67 . 1 1 8 8 ALA HB3 H 1 1.667 0.02 . 1 . . . . 7 ALA MB . 16360 1 68 . 1 1 8 8 ALA C C 13 179.868 0.30 . 1 . . . . 7 ALA C . 16360 1 69 . 1 1 8 8 ALA CA C 13 55.629 0.30 . 1 . . . . 7 ALA CA . 16360 1 70 . 1 1 8 8 ALA CB C 13 18.125 0.30 . 1 . . . . 7 ALA CB . 16360 1 71 . 1 1 8 8 ALA N N 15 125.755 0.30 . 1 . . . . 7 ALA N . 16360 1 72 . 1 1 9 9 MET H H 1 8.097 0.02 . 1 . . . . 8 MET H . 16360 1 73 . 1 1 9 9 MET HA H 1 4.838 0.02 . 1 . . . . 8 MET HA . 16360 1 74 . 1 1 9 9 MET HB2 H 1 2.510 0.02 . 2 . . . . 8 MET HB2 . 16360 1 75 . 1 1 9 9 MET HB3 H 1 2.258 0.02 . 2 . . . . 8 MET HB3 . 16360 1 76 . 1 1 9 9 MET HE1 H 1 2.013 0.02 . 1 . . . . 8 MET ME . 16360 1 77 . 1 1 9 9 MET HE2 H 1 2.013 0.02 . 1 . . . . 8 MET ME . 16360 1 78 . 1 1 9 9 MET HE3 H 1 2.013 0.02 . 1 . . . . 8 MET ME . 16360 1 79 . 1 1 9 9 MET HG2 H 1 2.829 0.02 . 2 . . . . 8 MET HG2 . 16360 1 80 . 1 1 9 9 MET HG3 H 1 2.701 0.02 . 2 . . . . 8 MET HG3 . 16360 1 81 . 1 1 9 9 MET C C 13 179.694 0.30 . 1 . . . . 8 MET C . 16360 1 82 . 1 1 9 9 MET CA C 13 56.675 0.30 . 1 . . . . 8 MET CA . 16360 1 83 . 1 1 9 9 MET CB C 13 28.950 0.30 . 1 . . . . 8 MET CB . 16360 1 84 . 1 1 9 9 MET CE C 13 14.610 0.30 . 1 . . . . 8 MET CE . 16360 1 85 . 1 1 9 9 MET CG C 13 30.748 0.30 . 1 . . . . 8 MET CG . 16360 1 86 . 1 1 9 9 MET N N 15 115.116 0.30 . 1 . . . . 8 MET N . 16360 1 87 . 1 1 10 10 GLU H H 1 8.678 0.02 . 1 . . . . 9 GLU H . 16360 1 88 . 1 1 10 10 GLU HA H 1 4.090 0.02 . 1 . . . . 9 GLU HA . 16360 1 89 . 1 1 10 10 GLU HB2 H 1 2.411 0.02 . 2 . . . . 9 GLU HB2 . 16360 1 90 . 1 1 10 10 GLU HB3 H 1 2.188 0.02 . 2 . . . . 9 GLU HB3 . 16360 1 91 . 1 1 10 10 GLU HG2 H 1 2.388 0.02 . 2 . . . . 9 GLU HG2 . 16360 1 92 . 1 1 10 10 GLU HG3 H 1 2.688 0.02 . 2 . . . . 9 GLU HG3 . 16360 1 93 . 1 1 10 10 GLU C C 13 179.582 0.30 . 1 . . . . 9 GLU C . 16360 1 94 . 1 1 10 10 GLU CA C 13 60.381 0.30 . 1 . . . . 9 GLU CA . 16360 1 95 . 1 1 10 10 GLU CB C 13 28.892 0.30 . 1 . . . . 9 GLU CB . 16360 1 96 . 1 1 10 10 GLU CG C 13 36.657 0.30 . 1 . . . . 9 GLU CG . 16360 1 97 . 1 1 10 10 GLU N N 15 120.490 0.30 . 1 . . . . 9 GLU N . 16360 1 98 . 1 1 11 11 THR H H 1 8.429 0.02 . 1 . . . . 10 THR H . 16360 1 99 . 1 1 11 11 THR HA H 1 4.107 0.02 . 1 . . . . 10 THR HA . 16360 1 100 . 1 1 11 11 THR HB H 1 4.652 0.02 . 1 . . . . 10 THR HB . 16360 1 101 . 1 1 11 11 THR HG21 H 1 1.225 0.02 . 1 . . . . 10 THR MG . 16360 1 102 . 1 1 11 11 THR HG22 H 1 1.225 0.02 . 1 . . . . 10 THR MG . 16360 1 103 . 1 1 11 11 THR HG23 H 1 1.225 0.02 . 1 . . . . 10 THR MG . 16360 1 104 . 1 1 11 11 THR C C 13 175.994 0.30 . 1 . . . . 10 THR C . 16360 1 105 . 1 1 11 11 THR CA C 13 67.386 0.30 . 1 . . . . 10 THR CA . 16360 1 106 . 1 1 11 11 THR CB C 13 67.176 0.30 . 1 . . . . 10 THR CB . 16360 1 107 . 1 1 11 11 THR CG2 C 13 22.412 0.30 . 1 . . . . 10 THR CG2 . 16360 1 108 . 1 1 11 11 THR N N 15 118.652 0.30 . 1 . . . . 10 THR N . 16360 1 109 . 1 1 12 12 LEU H H 1 8.324 0.02 . 1 . . . . 11 LEU H . 16360 1 110 . 1 1 12 12 LEU HA H 1 4.050 0.02 . 1 . . . . 11 LEU HA . 16360 1 111 . 1 1 12 12 LEU HB2 H 1 2.514 0.02 . 2 . . . . 11 LEU HB2 . 16360 1 112 . 1 1 12 12 LEU HB3 H 1 1.738 0.02 . 2 . . . . 11 LEU HB3 . 16360 1 113 . 1 1 12 12 LEU HD11 H 1 0.946 0.02 . 2 . . . . 11 LEU MD1 . 16360 1 114 . 1 1 12 12 LEU HD12 H 1 0.946 0.02 . 2 . . . . 11 LEU MD1 . 16360 1 115 . 1 1 12 12 LEU HD13 H 1 0.946 0.02 . 2 . . . . 11 LEU MD1 . 16360 1 116 . 1 1 12 12 LEU HD21 H 1 0.837 0.02 . 2 . . . . 11 LEU MD2 . 16360 1 117 . 1 1 12 12 LEU HD22 H 1 0.837 0.02 . 2 . . . . 11 LEU MD2 . 16360 1 118 . 1 1 12 12 LEU HD23 H 1 0.837 0.02 . 2 . . . . 11 LEU MD2 . 16360 1 119 . 1 1 12 12 LEU HG H 1 1.844 0.02 . 1 . . . . 11 LEU HG . 16360 1 120 . 1 1 12 12 LEU C C 13 181.712 0.30 . 1 . . . . 11 LEU C . 16360 1 121 . 1 1 12 12 LEU CA C 13 60.309 0.30 . 1 . . . . 11 LEU CA . 16360 1 122 . 1 1 12 12 LEU CB C 13 41.980 0.30 . 1 . . . . 11 LEU CB . 16360 1 123 . 1 1 12 12 LEU CD1 C 13 25.679 0.30 . 2 . . . . 11 LEU CD1 . 16360 1 124 . 1 1 12 12 LEU CD2 C 13 24.740 0.30 . 2 . . . . 11 LEU CD2 . 16360 1 125 . 1 1 12 12 LEU CG C 13 29.574 0.30 . 1 . . . . 11 LEU CG . 16360 1 126 . 1 1 12 12 LEU N N 15 121.850 0.30 . 1 . . . . 11 LEU N . 16360 1 127 . 1 1 13 13 ILE H H 1 8.447 0.02 . 1 . . . . 12 ILE H . 16360 1 128 . 1 1 13 13 ILE HA H 1 3.545 0.02 . 1 . . . . 12 ILE HA . 16360 1 129 . 1 1 13 13 ILE HB H 1 1.848 0.02 . 1 . . . . 12 ILE HB . 16360 1 130 . 1 1 13 13 ILE HD11 H 1 -0.072 0.02 . 1 . . . . 12 ILE MD . 16360 1 131 . 1 1 13 13 ILE HD12 H 1 -0.072 0.02 . 1 . . . . 12 ILE MD . 16360 1 132 . 1 1 13 13 ILE HD13 H 1 -0.072 0.02 . 1 . . . . 12 ILE MD . 16360 1 133 . 1 1 13 13 ILE HG12 H 1 0.151 0.02 . 2 . . . . 12 ILE HG12 . 16360 1 134 . 1 1 13 13 ILE HG13 H 1 1.866 0.02 . 2 . . . . 12 ILE HG13 . 16360 1 135 . 1 1 13 13 ILE HG21 H 1 0.577 0.02 . 1 . . . . 12 ILE MG . 16360 1 136 . 1 1 13 13 ILE HG22 H 1 0.577 0.02 . 1 . . . . 12 ILE MG . 16360 1 137 . 1 1 13 13 ILE HG23 H 1 0.577 0.02 . 1 . . . . 12 ILE MG . 16360 1 138 . 1 1 13 13 ILE C C 13 176.211 0.30 . 1 . . . . 12 ILE C . 16360 1 139 . 1 1 13 13 ILE CA C 13 66.087 0.30 . 1 . . . . 12 ILE CA . 16360 1 140 . 1 1 13 13 ILE CB C 13 38.429 0.30 . 1 . . . . 12 ILE CB . 16360 1 141 . 1 1 13 13 ILE CD1 C 13 16.022 0.30 . 1 . . . . 12 ILE CD1 . 16360 1 142 . 1 1 13 13 ILE CG1 C 13 29.423 0.30 . 1 . . . . 12 ILE CG1 . 16360 1 143 . 1 1 13 13 ILE CG2 C 13 14.180 0.30 . 1 . . . . 12 ILE CG2 . 16360 1 144 . 1 1 13 13 ILE N N 15 121.173 0.30 . 1 . . . . 12 ILE N . 16360 1 145 . 1 1 14 14 ASN H H 1 8.607 0.02 . 1 . . . . 13 ASN H . 16360 1 146 . 1 1 14 14 ASN HA H 1 4.352 0.02 . 1 . . . . 13 ASN HA . 16360 1 147 . 1 1 14 14 ASN HB2 H 1 3.043 0.02 . 2 . . . . 13 ASN HB2 . 16360 1 148 . 1 1 14 14 ASN HB3 H 1 2.889 0.02 . 2 . . . . 13 ASN HB3 . 16360 1 149 . 1 1 14 14 ASN HD21 H 1 7.657 0.02 . 2 . . . . 13 ASN HD21 . 16360 1 150 . 1 1 14 14 ASN HD22 H 1 6.884 0.02 . 2 . . . . 13 ASN HD22 . 16360 1 151 . 1 1 14 14 ASN C C 13 179.211 0.30 . 1 . . . . 13 ASN C . 16360 1 152 . 1 1 14 14 ASN CA C 13 56.661 0.30 . 1 . . . . 13 ASN CA . 16360 1 153 . 1 1 14 14 ASN CB C 13 38.047 0.30 . 1 . . . . 13 ASN CB . 16360 1 154 . 1 1 14 14 ASN N N 15 120.400 0.30 . 1 . . . . 13 ASN N . 16360 1 155 . 1 1 14 14 ASN ND2 N 15 111.746 0.30 . 1 . . . . 13 ASN ND2 . 16360 1 156 . 1 1 15 15 VAL H H 1 8.839 0.02 . 1 . . . . 14 VAL H . 16360 1 157 . 1 1 15 15 VAL HA H 1 3.849 0.02 . 1 . . . . 14 VAL HA . 16360 1 158 . 1 1 15 15 VAL HB H 1 2.183 0.02 . 1 . . . . 14 VAL HB . 16360 1 159 . 1 1 15 15 VAL HG11 H 1 1.142 0.02 . 2 . . . . 14 VAL MG1 . 16360 1 160 . 1 1 15 15 VAL HG12 H 1 1.142 0.02 . 2 . . . . 14 VAL MG1 . 16360 1 161 . 1 1 15 15 VAL HG13 H 1 1.142 0.02 . 2 . . . . 14 VAL MG1 . 16360 1 162 . 1 1 15 15 VAL HG21 H 1 1.136 0.02 . 2 . . . . 14 VAL MG2 . 16360 1 163 . 1 1 15 15 VAL HG22 H 1 1.136 0.02 . 2 . . . . 14 VAL MG2 . 16360 1 164 . 1 1 15 15 VAL HG23 H 1 1.136 0.02 . 2 . . . . 14 VAL MG2 . 16360 1 165 . 1 1 15 15 VAL C C 13 177.308 0.30 . 1 . . . . 14 VAL C . 16360 1 166 . 1 1 15 15 VAL CA C 13 66.708 0.30 . 1 . . . . 14 VAL CA . 16360 1 167 . 1 1 15 15 VAL CB C 13 31.810 0.30 . 1 . . . . 14 VAL CB . 16360 1 168 . 1 1 15 15 VAL CG1 C 13 22.756 0.30 . 2 . . . . 14 VAL CG1 . 16360 1 169 . 1 1 15 15 VAL CG2 C 13 21.929 0.30 . 2 . . . . 14 VAL CG2 . 16360 1 170 . 1 1 15 15 VAL N N 15 121.700 0.30 . 1 . . . . 14 VAL N . 16360 1 171 . 1 1 16 16 PHE H H 1 7.482 0.02 . 1 . . . . 15 PHE H . 16360 1 172 . 1 1 16 16 PHE HA H 1 3.574 0.02 . 1 . . . . 15 PHE HA . 16360 1 173 . 1 1 16 16 PHE HB2 H 1 3.353 0.02 . 2 . . . . 15 PHE HB2 . 16360 1 174 . 1 1 16 16 PHE HB3 H 1 2.867 0.02 . 2 . . . . 15 PHE HB3 . 16360 1 175 . 1 1 16 16 PHE HD1 H 1 6.354 0.02 . 1 . . . . 15 PHE HD1 . 16360 1 176 . 1 1 16 16 PHE HD2 H 1 6.354 0.02 . 1 . . . . 15 PHE HD2 . 16360 1 177 . 1 1 16 16 PHE HE1 H 1 7.226 0.02 . 1 . . . . 15 PHE HE1 . 16360 1 178 . 1 1 16 16 PHE HE2 H 1 7.226 0.02 . 1 . . . . 15 PHE HE2 . 16360 1 179 . 1 1 16 16 PHE HZ H 1 7.273 0.02 . 1 . . . . 15 PHE HZ . 16360 1 180 . 1 1 16 16 PHE C C 13 177.724 0.30 . 1 . . . . 15 PHE C . 16360 1 181 . 1 1 16 16 PHE CA C 13 62.371 0.30 . 1 . . . . 15 PHE CA . 16360 1 182 . 1 1 16 16 PHE CB C 13 39.497 0.30 . 1 . . . . 15 PHE CB . 16360 1 183 . 1 1 16 16 PHE CD1 C 13 131.612 0.30 . 1 . . . . 15 PHE CD1 . 16360 1 184 . 1 1 16 16 PHE CD2 C 13 131.612 0.30 . 1 . . . . 15 PHE CD2 . 16360 1 185 . 1 1 16 16 PHE CE1 C 13 131.433 0.30 . 1 . . . . 15 PHE CE1 . 16360 1 186 . 1 1 16 16 PHE CE2 C 13 131.433 0.30 . 1 . . . . 15 PHE CE2 . 16360 1 187 . 1 1 16 16 PHE CZ C 13 129.612 0.30 . 1 . . . . 15 PHE CZ . 16360 1 188 . 1 1 16 16 PHE N N 15 120.132 0.30 . 1 . . . . 15 PHE N . 16360 1 189 . 1 1 17 17 HIS H H 1 9.213 0.02 . 1 . . . . 16 HIS H . 16360 1 190 . 1 1 17 17 HIS HA H 1 5.151 0.02 . 1 . . . . 16 HIS HA . 16360 1 191 . 1 1 17 17 HIS HB2 H 1 3.090 0.02 . 2 . . . . 16 HIS HB2 . 16360 1 192 . 1 1 17 17 HIS HB3 H 1 2.853 0.02 . 2 . . . . 16 HIS HB3 . 16360 1 193 . 1 1 17 17 HIS HD2 H 1 6.979 0.02 . 1 . . . . 16 HIS HD2 . 16360 1 194 . 1 1 17 17 HIS HE1 H 1 7.877 0.02 . 5 . . . . 16 HIS HE1 . 16360 1 195 . 1 1 17 17 HIS C C 13 177.922 0.30 . 1 . . . . 16 HIS C . 16360 1 196 . 1 1 17 17 HIS CA C 13 55.586 0.30 . 1 . . . . 16 HIS CA . 16360 1 197 . 1 1 17 17 HIS CB C 13 30.410 0.30 . 1 . . . . 16 HIS CB . 16360 1 198 . 1 1 17 17 HIS CD2 C 13 121.269 0.30 . 1 . . . . 16 HIS CD2 . 16360 1 199 . 1 1 17 17 HIS CE1 C 13 137.354 0.30 . 1 . . . . 16 HIS CE1 . 16360 1 200 . 1 1 17 17 HIS N N 15 118.808 0.30 . 1 . . . . 16 HIS N . 16360 1 201 . 1 1 18 18 ALA H H 1 8.119 0.02 . 1 . . . . 17 ALA H . 16360 1 202 . 1 1 18 18 ALA HA H 1 3.817 0.02 . 1 . . . . 17 ALA HA . 16360 1 203 . 1 1 18 18 ALA HB1 H 1 1.408 0.02 . 1 . . . . 17 ALA MB . 16360 1 204 . 1 1 18 18 ALA HB2 H 1 1.408 0.02 . 1 . . . . 17 ALA MB . 16360 1 205 . 1 1 18 18 ALA HB3 H 1 1.408 0.02 . 1 . . . . 17 ALA MB . 16360 1 206 . 1 1 18 18 ALA C C 13 178.733 0.30 . 1 . . . . 17 ALA C . 16360 1 207 . 1 1 18 18 ALA CA C 13 54.463 0.30 . 1 . . . . 17 ALA CA . 16360 1 208 . 1 1 18 18 ALA CB C 13 17.670 0.30 . 1 . . . . 17 ALA CB . 16360 1 209 . 1 1 18 18 ALA N N 15 121.389 0.30 . 1 . . . . 17 ALA N . 16360 1 210 . 1 1 19 19 HIS H H 1 7.369 0.02 . 1 . . . . 18 HIS H . 16360 1 211 . 1 1 19 19 HIS HA H 1 4.342 0.02 . 1 . . . . 18 HIS HA . 16360 1 212 . 1 1 19 19 HIS HB2 H 1 3.119 0.02 . 2 . . . . 18 HIS HB2 . 16360 1 213 . 1 1 19 19 HIS HB3 H 1 2.743 0.02 . 2 . . . . 18 HIS HB3 . 16360 1 214 . 1 1 19 19 HIS HD2 H 1 7.812 0.02 . 1 . . . . 18 HIS HD2 . 16360 1 215 . 1 1 19 19 HIS HE1 H 1 8.453 0.02 . 5 . . . . 18 HIS HE1 . 16360 1 216 . 1 1 19 19 HIS C C 13 175.762 0.30 . 1 . . . . 18 HIS C . 16360 1 217 . 1 1 19 19 HIS CA C 13 57.031 0.30 . 1 . . . . 18 HIS CA . 16360 1 218 . 1 1 19 19 HIS CB C 13 31.140 0.30 . 1 . . . . 18 HIS CB . 16360 1 219 . 1 1 19 19 HIS CD2 C 13 122.407 0.30 . 1 . . . . 18 HIS CD2 . 16360 1 220 . 1 1 19 19 HIS CE1 C 13 137.063 0.30 . 1 . . . . 18 HIS CE1 . 16360 1 221 . 1 1 19 19 HIS N N 15 112.664 0.30 . 1 . . . . 18 HIS N . 16360 1 222 . 1 1 20 20 SER H H 1 9.434 0.02 . 1 . . . . 19 SER H . 16360 1 223 . 1 1 20 20 SER HA H 1 4.118 0.02 . 1 . . . . 19 SER HA . 16360 1 224 . 1 1 20 20 SER HB2 H 1 3.673 0.02 . 2 . . . . 19 SER HB2 . 16360 1 225 . 1 1 20 20 SER HB3 H 1 2.536 0.02 . 2 . . . . 19 SER HB3 . 16360 1 226 . 1 1 20 20 SER C C 13 176.469 0.30 . 1 . . . . 19 SER C . 16360 1 227 . 1 1 20 20 SER CA C 13 60.778 0.30 . 1 . . . . 19 SER CA . 16360 1 228 . 1 1 20 20 SER CB C 13 61.746 0.30 . 1 . . . . 19 SER CB . 16360 1 229 . 1 1 20 20 SER N N 15 121.405 0.30 . 1 . . . . 19 SER N . 16360 1 230 . 1 1 21 21 GLY H H 1 8.227 0.02 . 1 . . . . 20 GLY H . 16360 1 231 . 1 1 21 21 GLY HA2 H 1 3.891 0.02 . 2 . . . . 20 GLY HA2 . 16360 1 232 . 1 1 21 21 GLY HA3 H 1 3.676 0.02 . 2 . . . . 20 GLY HA3 . 16360 1 233 . 1 1 21 21 GLY C C 13 175.019 0.30 . 1 . . . . 20 GLY C . 16360 1 234 . 1 1 21 21 GLY CA C 13 45.348 0.30 . 1 . . . . 20 GLY CA . 16360 1 235 . 1 1 21 21 GLY N N 15 107.061 0.30 . 1 . . . . 20 GLY N . 16360 1 236 . 1 1 22 22 LYS H H 1 7.282 0.02 . 1 . . . . 21 LYS H . 16360 1 237 . 1 1 22 22 LYS HA H 1 3.983 0.02 . 1 . . . . 21 LYS HA . 16360 1 238 . 1 1 22 22 LYS HB2 H 1 1.774 0.02 . 2 . . . . 21 LYS HB2 . 16360 1 239 . 1 1 22 22 LYS HB3 H 1 1.810 0.02 . 2 . . . . 21 LYS HB3 . 16360 1 240 . 1 1 22 22 LYS HD2 H 1 1.656 0.02 . 2 . . . . 21 LYS HD2 . 16360 1 241 . 1 1 22 22 LYS HD3 H 1 1.627 0.02 . 2 . . . . 21 LYS HD3 . 16360 1 242 . 1 1 22 22 LYS HE2 H 1 2.912 0.02 . 2 . . . . 21 LYS HE2 . 16360 1 243 . 1 1 22 22 LYS HE3 H 1 2.947 0.02 . 2 . . . . 21 LYS HE3 . 16360 1 244 . 1 1 22 22 LYS HG2 H 1 1.318 0.02 . 2 . . . . 21 LYS HG2 . 16360 1 245 . 1 1 22 22 LYS HG3 H 1 1.450 0.02 . 2 . . . . 21 LYS HG3 . 16360 1 246 . 1 1 22 22 LYS C C 13 176.829 0.30 . 1 . . . . 21 LYS C . 16360 1 247 . 1 1 22 22 LYS CA C 13 58.529 0.30 . 1 . . . . 21 LYS CA . 16360 1 248 . 1 1 22 22 LYS CB C 13 32.836 0.30 . 1 . . . . 21 LYS CB . 16360 1 249 . 1 1 22 22 LYS CD C 13 29.162 0.30 . 1 . . . . 21 LYS CD . 16360 1 250 . 1 1 22 22 LYS CE C 13 41.784 0.30 . 1 . . . . 21 LYS CE . 16360 1 251 . 1 1 22 22 LYS CG C 13 25.312 0.30 . 1 . . . . 21 LYS CG . 16360 1 252 . 1 1 22 22 LYS N N 15 119.069 0.30 . 1 . . . . 21 LYS N . 16360 1 253 . 1 1 23 23 GLU H H 1 7.623 0.02 . 1 . . . . 22 GLU H . 16360 1 254 . 1 1 23 23 GLU HA H 1 4.425 0.02 . 1 . . . . 22 GLU HA . 16360 1 255 . 1 1 23 23 GLU HB2 H 1 2.113 0.02 . 2 . . . . 22 GLU HB2 . 16360 1 256 . 1 1 23 23 GLU HB3 H 1 1.908 0.02 . 2 . . . . 22 GLU HB3 . 16360 1 257 . 1 1 23 23 GLU HG2 H 1 2.185 0.02 . 2 . . . . 22 GLU HG2 . 16360 1 258 . 1 1 23 23 GLU HG3 H 1 2.169 0.02 . 2 . . . . 22 GLU HG3 . 16360 1 259 . 1 1 23 23 GLU C C 13 175.530 0.30 . 1 . . . . 22 GLU C . 16360 1 260 . 1 1 23 23 GLU CA C 13 55.329 0.30 . 1 . . . . 22 GLU CA . 16360 1 261 . 1 1 23 23 GLU CB C 13 31.522 0.30 . 1 . . . . 22 GLU CB . 16360 1 262 . 1 1 23 23 GLU CG C 13 35.873 0.30 . 1 . . . . 22 GLU CG . 16360 1 263 . 1 1 23 23 GLU N N 15 116.129 0.30 . 1 . . . . 22 GLU N . 16360 1 264 . 1 1 24 24 GLY H H 1 8.218 0.02 . 1 . . . . 23 GLY H . 16360 1 265 . 1 1 24 24 GLY HA2 H 1 3.978 0.02 . 2 . . . . 23 GLY HA2 . 16360 1 266 . 1 1 24 24 GLY HA3 H 1 3.675 0.02 . 2 . . . . 23 GLY HA3 . 16360 1 267 . 1 1 24 24 GLY C C 13 174.022 0.30 . 1 . . . . 23 GLY C . 16360 1 268 . 1 1 24 24 GLY CA C 13 45.971 0.30 . 1 . . . . 23 GLY CA . 16360 1 269 . 1 1 24 24 GLY N N 15 108.262 0.30 . 1 . . . . 23 GLY N . 16360 1 270 . 1 1 25 25 ASP H H 1 8.321 0.02 . 1 . . . . 24 ASP H . 16360 1 271 . 1 1 25 25 ASP HA H 1 4.552 0.02 . 1 . . . . 24 ASP HA . 16360 1 272 . 1 1 25 25 ASP HB2 H 1 2.766 0.02 . 2 . . . . 24 ASP HB2 . 16360 1 273 . 1 1 25 25 ASP HB3 H 1 2.576 0.02 . 2 . . . . 24 ASP HB3 . 16360 1 274 . 1 1 25 25 ASP C C 13 177.632 0.30 . 1 . . . . 24 ASP C . 16360 1 275 . 1 1 25 25 ASP CA C 13 53.712 0.30 . 1 . . . . 24 ASP CA . 16360 1 276 . 1 1 25 25 ASP CB C 13 42.561 0.30 . 1 . . . . 24 ASP CB . 16360 1 277 . 1 1 25 25 ASP N N 15 124.301 0.30 . 1 . . . . 24 ASP N . 16360 1 278 . 1 1 26 26 LYS H H 1 8.370 0.02 . 1 . . . . 25 LYS H . 16360 1 279 . 1 1 26 26 LYS HA H 1 4.089 0.02 . 1 . . . . 25 LYS HA . 16360 1 280 . 1 1 26 26 LYS HB2 H 1 1.649 0.02 . 2 . . . . 25 LYS HB2 . 16360 1 281 . 1 1 26 26 LYS HB3 H 1 1.503 0.02 . 2 . . . . 25 LYS HB3 . 16360 1 282 . 1 1 26 26 LYS HD2 H 1 1.086 0.02 . 2 . . . . 25 LYS HD2 . 16360 1 283 . 1 1 26 26 LYS HD3 H 1 1.211 0.02 . 2 . . . . 25 LYS HD3 . 16360 1 284 . 1 1 26 26 LYS HE2 H 1 2.219 0.02 . 2 . . . . 25 LYS HE2 . 16360 1 285 . 1 1 26 26 LYS HE3 H 1 2.196 0.02 . 2 . . . . 25 LYS HE3 . 16360 1 286 . 1 1 26 26 LYS HG2 H 1 0.702 0.02 . 2 . . . . 25 LYS HG2 . 16360 1 287 . 1 1 26 26 LYS HG3 H 1 0.095 0.02 . 2 . . . . 25 LYS HG3 . 16360 1 288 . 1 1 26 26 LYS C C 13 175.994 0.30 . 1 . . . . 25 LYS C . 16360 1 289 . 1 1 26 26 LYS CA C 13 57.674 0.30 . 1 . . . . 25 LYS CA . 16360 1 290 . 1 1 26 26 LYS CB C 13 32.033 0.30 . 1 . . . . 25 LYS CB . 16360 1 291 . 1 1 26 26 LYS CD C 13 29.386 0.30 . 1 . . . . 25 LYS CD . 16360 1 292 . 1 1 26 26 LYS CE C 13 41.750 0.30 . 1 . . . . 25 LYS CE . 16360 1 293 . 1 1 26 26 LYS CG C 13 22.607 0.30 . 1 . . . . 25 LYS CG . 16360 1 294 . 1 1 26 26 LYS N N 15 125.318 0.30 . 1 . . . . 25 LYS N . 16360 1 295 . 1 1 27 27 TYR H H 1 8.512 0.02 . 1 . . . . 26 TYR H . 16360 1 296 . 1 1 27 27 TYR HA H 1 5.077 0.02 . 1 . . . . 26 TYR HA . 16360 1 297 . 1 1 27 27 TYR HB2 H 1 3.552 0.02 . 2 . . . . 26 TYR HB2 . 16360 1 298 . 1 1 27 27 TYR HB3 H 1 2.971 0.02 . 2 . . . . 26 TYR HB3 . 16360 1 299 . 1 1 27 27 TYR HD1 H 1 7.129 0.02 . 1 . . . . 26 TYR HD1 . 16360 1 300 . 1 1 27 27 TYR HD2 H 1 7.129 0.02 . 1 . . . . 26 TYR HD2 . 16360 1 301 . 1 1 27 27 TYR HE1 H 1 6.068 0.02 . 1 . . . . 26 TYR HE1 . 16360 1 302 . 1 1 27 27 TYR HE2 H 1 6.068 0.02 . 1 . . . . 26 TYR HE2 . 16360 1 303 . 1 1 27 27 TYR C C 13 175.573 0.30 . 1 . . . . 26 TYR C . 16360 1 304 . 1 1 27 27 TYR CA C 13 57.434 0.30 . 1 . . . . 26 TYR CA . 16360 1 305 . 1 1 27 27 TYR CB C 13 37.801 0.30 . 1 . . . . 26 TYR CB . 16360 1 306 . 1 1 27 27 TYR CD1 C 13 132.428 0.30 . 1 . . . . 26 TYR CD1 . 16360 1 307 . 1 1 27 27 TYR CD2 C 13 132.428 0.30 . 1 . . . . 26 TYR CD2 . 16360 1 308 . 1 1 27 27 TYR CE1 C 13 117.649 0.30 . 1 . . . . 26 TYR CE1 . 16360 1 309 . 1 1 27 27 TYR CE2 C 13 117.649 0.30 . 1 . . . . 26 TYR CE2 . 16360 1 310 . 1 1 27 27 TYR N N 15 117.268 0.30 . 1 . . . . 26 TYR N . 16360 1 311 . 1 1 28 28 LYS H H 1 7.764 0.02 . 1 . . . . 27 LYS H . 16360 1 312 . 1 1 28 28 LYS HA H 1 5.466 0.02 . 1 . . . . 27 LYS HA . 16360 1 313 . 1 1 28 28 LYS HB2 H 1 1.663 0.02 . 2 . . . . 27 LYS HB2 . 16360 1 314 . 1 1 28 28 LYS HB3 H 1 1.784 0.02 . 2 . . . . 27 LYS HB3 . 16360 1 315 . 1 1 28 28 LYS HD2 H 1 1.752 0.02 . 2 . . . . 27 LYS HD2 . 16360 1 316 . 1 1 28 28 LYS HD3 H 1 1.485 0.02 . 2 . . . . 27 LYS HD3 . 16360 1 317 . 1 1 28 28 LYS HE2 H 1 3.035 0.02 . 2 . . . . 27 LYS HE2 . 16360 1 318 . 1 1 28 28 LYS HE3 H 1 2.973 0.02 . 2 . . . . 27 LYS HE3 . 16360 1 319 . 1 1 28 28 LYS HG2 H 1 1.496 0.02 . 2 . . . . 27 LYS HG2 . 16360 1 320 . 1 1 28 28 LYS HG3 H 1 1.272 0.02 . 2 . . . . 27 LYS HG3 . 16360 1 321 . 1 1 28 28 LYS C C 13 174.169 0.30 . 1 . . . . 27 LYS C . 16360 1 322 . 1 1 28 28 LYS CA C 13 54.029 0.30 . 1 . . . . 27 LYS CA . 16360 1 323 . 1 1 28 28 LYS CB C 13 37.408 0.30 . 1 . . . . 27 LYS CB . 16360 1 324 . 1 1 28 28 LYS CD C 13 28.739 0.30 . 1 . . . . 27 LYS CD . 16360 1 325 . 1 1 28 28 LYS CE C 13 42.371 0.30 . 1 . . . . 27 LYS CE . 16360 1 326 . 1 1 28 28 LYS CG C 13 24.590 0.30 . 1 . . . . 27 LYS CG . 16360 1 327 . 1 1 28 28 LYS N N 15 117.837 0.30 . 1 . . . . 27 LYS N . 16360 1 328 . 1 1 29 29 LEU H H 1 8.764 0.02 . 1 . . . . 28 LEU H . 16360 1 329 . 1 1 29 29 LEU HA H 1 4.734 0.02 . 1 . . . . 28 LEU HA . 16360 1 330 . 1 1 29 29 LEU HB2 H 1 1.566 0.02 . 2 . . . . 28 LEU HB2 . 16360 1 331 . 1 1 29 29 LEU HB3 H 1 0.992 0.02 . 2 . . . . 28 LEU HB3 . 16360 1 332 . 1 1 29 29 LEU HD11 H 1 0.560 0.02 . 2 . . . . 28 LEU MD1 . 16360 1 333 . 1 1 29 29 LEU HD12 H 1 0.560 0.02 . 2 . . . . 28 LEU MD1 . 16360 1 334 . 1 1 29 29 LEU HD13 H 1 0.560 0.02 . 2 . . . . 28 LEU MD1 . 16360 1 335 . 1 1 29 29 LEU HD21 H 1 0.513 0.02 . 2 . . . . 28 LEU MD2 . 16360 1 336 . 1 1 29 29 LEU HD22 H 1 0.513 0.02 . 2 . . . . 28 LEU MD2 . 16360 1 337 . 1 1 29 29 LEU HD23 H 1 0.513 0.02 . 2 . . . . 28 LEU MD2 . 16360 1 338 . 1 1 29 29 LEU HG H 1 1.560 0.02 . 1 . . . . 28 LEU HG . 16360 1 339 . 1 1 29 29 LEU C C 13 175.714 0.30 . 1 . . . . 28 LEU C . 16360 1 340 . 1 1 29 29 LEU CA C 13 53.142 0.30 . 1 . . . . 28 LEU CA . 16360 1 341 . 1 1 29 29 LEU CB C 13 46.207 0.30 . 1 . . . . 28 LEU CB . 16360 1 342 . 1 1 29 29 LEU CD1 C 13 26.036 0.30 . 2 . . . . 28 LEU CD1 . 16360 1 343 . 1 1 29 29 LEU CD2 C 13 26.787 0.30 . 2 . . . . 28 LEU CD2 . 16360 1 344 . 1 1 29 29 LEU CG C 13 26.080 0.30 . 1 . . . . 28 LEU CG . 16360 1 345 . 1 1 29 29 LEU N N 15 120.711 0.30 . 1 . . . . 28 LEU N . 16360 1 346 . 1 1 30 30 SER H H 1 8.850 0.02 . 1 . . . . 29 SER H . 16360 1 347 . 1 1 30 30 SER HA H 1 5.012 0.02 . 1 . . . . 29 SER HA . 16360 1 348 . 1 1 30 30 SER HB2 H 1 4.501 0.02 . 2 . . . . 29 SER HB2 . 16360 1 349 . 1 1 30 30 SER HB3 H 1 4.121 0.02 . 2 . . . . 29 SER HB3 . 16360 1 350 . 1 1 30 30 SER C C 13 175.735 0.30 . 1 . . . . 29 SER C . 16360 1 351 . 1 1 30 30 SER CA C 13 58.005 0.30 . 1 . . . . 29 SER CA . 16360 1 352 . 1 1 30 30 SER CB C 13 64.338 0.30 . 1 . . . . 29 SER CB . 16360 1 353 . 1 1 30 30 SER N N 15 120.434 0.30 . 1 . . . . 29 SER N . 16360 1 354 . 1 1 31 31 LYS H H 1 8.824 0.02 . 1 . . . . 30 LYS H . 16360 1 355 . 1 1 31 31 LYS HA H 1 3.856 0.02 . 1 . . . . 30 LYS HA . 16360 1 356 . 1 1 31 31 LYS HB2 H 1 2.206 0.02 . 2 . . . . 30 LYS HB2 . 16360 1 357 . 1 1 31 31 LYS HB3 H 1 1.874 0.02 . 2 . . . . 30 LYS HB3 . 16360 1 358 . 1 1 31 31 LYS HD2 H 1 1.934 0.02 . 2 . . . . 30 LYS HD2 . 16360 1 359 . 1 1 31 31 LYS HD3 H 1 1.946 0.02 . 2 . . . . 30 LYS HD3 . 16360 1 360 . 1 1 31 31 LYS HE2 H 1 2.738 0.02 . 2 . . . . 30 LYS HE2 . 16360 1 361 . 1 1 31 31 LYS HE3 H 1 2.728 0.02 . 2 . . . . 30 LYS HE3 . 16360 1 362 . 1 1 31 31 LYS HG2 H 1 1.507 0.02 . 2 . . . . 30 LYS HG2 . 16360 1 363 . 1 1 31 31 LYS HG3 H 1 1.460 0.02 . 2 . . . . 30 LYS HG3 . 16360 1 364 . 1 1 31 31 LYS C C 13 178.389 0.30 . 1 . . . . 30 LYS C . 16360 1 365 . 1 1 31 31 LYS CA C 13 61.621 0.30 . 1 . . . . 30 LYS CA . 16360 1 366 . 1 1 31 31 LYS CB C 13 32.013 0.30 . 1 . . . . 30 LYS CB . 16360 1 367 . 1 1 31 31 LYS CD C 13 29.881 0.30 . 1 . . . . 30 LYS CD . 16360 1 368 . 1 1 31 31 LYS CE C 13 42.136 0.30 . 1 . . . . 30 LYS CE . 16360 1 369 . 1 1 31 31 LYS CG C 13 24.622 0.30 . 1 . . . . 30 LYS CG . 16360 1 370 . 1 1 31 31 LYS N N 15 124.299 0.30 . 1 . . . . 30 LYS N . 16360 1 371 . 1 1 32 32 LYS H H 1 8.719 0.02 . 1 . . . . 31 LYS H . 16360 1 372 . 1 1 32 32 LYS HA H 1 4.154 0.02 . 1 . . . . 31 LYS HA . 16360 1 373 . 1 1 32 32 LYS HB2 H 1 1.890 0.02 . 2 . . . . 31 LYS HB2 . 16360 1 374 . 1 1 32 32 LYS HB3 H 1 1.732 0.02 . 2 . . . . 31 LYS HB3 . 16360 1 375 . 1 1 32 32 LYS HD2 H 1 1.604 0.02 . 2 . . . . 31 LYS HD2 . 16360 1 376 . 1 1 32 32 LYS HD3 H 1 1.664 0.02 . 2 . . . . 31 LYS HD3 . 16360 1 377 . 1 1 32 32 LYS HE2 H 1 2.948 0.02 . 2 . . . . 31 LYS HE2 . 16360 1 378 . 1 1 32 32 LYS HE3 H 1 2.964 0.02 . 2 . . . . 31 LYS HE3 . 16360 1 379 . 1 1 32 32 LYS HG2 H 1 1.466 0.02 . 2 . . . . 31 LYS HG2 . 16360 1 380 . 1 1 32 32 LYS HG3 H 1 1.447 0.02 . 2 . . . . 31 LYS HG3 . 16360 1 381 . 1 1 32 32 LYS C C 13 179.016 0.30 . 1 . . . . 31 LYS C . 16360 1 382 . 1 1 32 32 LYS CA C 13 59.478 0.30 . 1 . . . . 31 LYS CA . 16360 1 383 . 1 1 32 32 LYS CB C 13 32.443 0.30 . 1 . . . . 31 LYS CB . 16360 1 384 . 1 1 32 32 LYS CD C 13 29.413 0.30 . 1 . . . . 31 LYS CD . 16360 1 385 . 1 1 32 32 LYS CE C 13 42.089 0.30 . 1 . . . . 31 LYS CE . 16360 1 386 . 1 1 32 32 LYS CG C 13 24.417 0.30 . 1 . . . . 31 LYS CG . 16360 1 387 . 1 1 32 32 LYS N N 15 120.034 0.30 . 1 . . . . 31 LYS N . 16360 1 388 . 1 1 33 33 GLU H H 1 7.748 0.02 . 1 . . . . 32 GLU H . 16360 1 389 . 1 1 33 33 GLU HA H 1 4.073 0.02 . 1 . . . . 32 GLU HA . 16360 1 390 . 1 1 33 33 GLU HB2 H 1 2.216 0.02 . 2 . . . . 32 GLU HB2 . 16360 1 391 . 1 1 33 33 GLU HB3 H 1 2.099 0.02 . 2 . . . . 32 GLU HB3 . 16360 1 392 . 1 1 33 33 GLU HG2 H 1 2.357 0.02 . 2 . . . . 32 GLU HG2 . 16360 1 393 . 1 1 33 33 GLU HG3 H 1 2.262 0.02 . 2 . . . . 32 GLU HG3 . 16360 1 394 . 1 1 33 33 GLU C C 13 179.139 0.30 . 1 . . . . 32 GLU C . 16360 1 395 . 1 1 33 33 GLU CA C 13 58.411 0.30 . 1 . . . . 32 GLU CA . 16360 1 396 . 1 1 33 33 GLU CB C 13 29.159 0.30 . 1 . . . . 32 GLU CB . 16360 1 397 . 1 1 33 33 GLU CG C 13 36.881 0.30 . 1 . . . . 32 GLU CG . 16360 1 398 . 1 1 33 33 GLU N N 15 121.382 0.30 . 1 . . . . 32 GLU N . 16360 1 399 . 1 1 34 34 LEU H H 1 8.863 0.02 . 1 . . . . 33 LEU H . 16360 1 400 . 1 1 34 34 LEU HA H 1 3.990 0.02 . 1 . . . . 33 LEU HA . 16360 1 401 . 1 1 34 34 LEU HB2 H 1 2.254 0.02 . 2 . . . . 33 LEU HB2 . 16360 1 402 . 1 1 34 34 LEU HB3 H 1 1.388 0.02 . 2 . . . . 33 LEU HB3 . 16360 1 403 . 1 1 34 34 LEU HD11 H 1 1.171 0.02 . 2 . . . . 33 LEU MD1 . 16360 1 404 . 1 1 34 34 LEU HD12 H 1 1.171 0.02 . 2 . . . . 33 LEU MD1 . 16360 1 405 . 1 1 34 34 LEU HD13 H 1 1.171 0.02 . 2 . . . . 33 LEU MD1 . 16360 1 406 . 1 1 34 34 LEU HD21 H 1 1.089 0.02 . 2 . . . . 33 LEU MD2 . 16360 1 407 . 1 1 34 34 LEU HD22 H 1 1.089 0.02 . 2 . . . . 33 LEU MD2 . 16360 1 408 . 1 1 34 34 LEU HD23 H 1 1.089 0.02 . 2 . . . . 33 LEU MD2 . 16360 1 409 . 1 1 34 34 LEU HG H 1 1.621 0.02 . 1 . . . . 33 LEU HG . 16360 1 410 . 1 1 34 34 LEU C C 13 177.425 0.30 . 1 . . . . 33 LEU C . 16360 1 411 . 1 1 34 34 LEU CA C 13 57.317 0.30 . 1 . . . . 33 LEU CA . 16360 1 412 . 1 1 34 34 LEU CB C 13 40.519 0.30 . 1 . . . . 33 LEU CB . 16360 1 413 . 1 1 34 34 LEU CD1 C 13 24.345 0.30 . 2 . . . . 33 LEU CD1 . 16360 1 414 . 1 1 34 34 LEU CD2 C 13 27.988 0.30 . 2 . . . . 33 LEU CD2 . 16360 1 415 . 1 1 34 34 LEU CG C 13 26.937 0.30 . 1 . . . . 33 LEU CG . 16360 1 416 . 1 1 34 34 LEU N N 15 121.599 0.30 . 1 . . . . 33 LEU N . 16360 1 417 . 1 1 35 35 LYS H H 1 8.406 0.02 . 1 . . . . 34 LYS H . 16360 1 418 . 1 1 35 35 LYS HA H 1 3.610 0.02 . 1 . . . . 34 LYS HA . 16360 1 419 . 1 1 35 35 LYS HB2 H 1 2.045 0.02 . 2 . . . . 34 LYS HB2 . 16360 1 420 . 1 1 35 35 LYS HB3 H 1 1.814 0.02 . 2 . . . . 34 LYS HB3 . 16360 1 421 . 1 1 35 35 LYS HD2 H 1 1.714 0.02 . 2 . . . . 34 LYS HD2 . 16360 1 422 . 1 1 35 35 LYS HD3 H 1 1.555 0.02 . 2 . . . . 34 LYS HD3 . 16360 1 423 . 1 1 35 35 LYS HE2 H 1 2.880 0.02 . 2 . . . . 34 LYS HE2 . 16360 1 424 . 1 1 35 35 LYS HE3 H 1 2.875 0.02 . 2 . . . . 34 LYS HE3 . 16360 1 425 . 1 1 35 35 LYS HG2 H 1 1.444 0.02 . 2 . . . . 34 LYS HG2 . 16360 1 426 . 1 1 35 35 LYS HG3 H 1 1.319 0.02 . 2 . . . . 34 LYS HG3 . 16360 1 427 . 1 1 35 35 LYS C C 13 177.663 0.30 . 1 . . . . 34 LYS C . 16360 1 428 . 1 1 35 35 LYS CA C 13 60.992 0.30 . 1 . . . . 34 LYS CA . 16360 1 429 . 1 1 35 35 LYS CB C 13 31.408 0.30 . 1 . . . . 34 LYS CB . 16360 1 430 . 1 1 35 35 LYS CD C 13 29.831 0.30 . 1 . . . . 34 LYS CD . 16360 1 431 . 1 1 35 35 LYS CE C 13 42.359 0.30 . 1 . . . . 34 LYS CE . 16360 1 432 . 1 1 35 35 LYS CG C 13 25.542 0.30 . 1 . . . . 34 LYS CG . 16360 1 433 . 1 1 35 35 LYS N N 15 120.392 0.30 . 1 . . . . 34 LYS N . 16360 1 434 . 1 1 36 36 GLU H H 1 7.173 0.02 . 1 . . . . 35 GLU H . 16360 1 435 . 1 1 36 36 GLU HA H 1 4.047 0.02 . 1 . . . . 35 GLU HA . 16360 1 436 . 1 1 36 36 GLU HB2 H 1 2.077 0.02 . 2 . . . . 35 GLU HB2 . 16360 1 437 . 1 1 36 36 GLU HB3 H 1 2.147 0.02 . 2 . . . . 35 GLU HB3 . 16360 1 438 . 1 1 36 36 GLU HG2 H 1 2.380 0.02 . 2 . . . . 35 GLU HG2 . 16360 1 439 . 1 1 36 36 GLU HG3 H 1 2.257 0.02 . 2 . . . . 35 GLU HG3 . 16360 1 440 . 1 1 36 36 GLU C C 13 179.156 0.30 . 1 . . . . 35 GLU C . 16360 1 441 . 1 1 36 36 GLU CA C 13 59.423 0.30 . 1 . . . . 35 GLU CA . 16360 1 442 . 1 1 36 36 GLU CB C 13 29.122 0.30 . 1 . . . . 35 GLU CB . 16360 1 443 . 1 1 36 36 GLU CG C 13 36.319 0.30 . 1 . . . . 35 GLU CG . 16360 1 444 . 1 1 36 36 GLU N N 15 117.190 0.30 . 1 . . . . 35 GLU N . 16360 1 445 . 1 1 37 37 LEU H H 1 8.244 0.02 . 1 . . . . 36 LEU H . 16360 1 446 . 1 1 37 37 LEU HA H 1 3.744 0.02 . 1 . . . . 36 LEU HA . 16360 1 447 . 1 1 37 37 LEU HB2 H 1 1.887 0.02 . 2 . . . . 36 LEU HB2 . 16360 1 448 . 1 1 37 37 LEU HB3 H 1 0.987 0.02 . 2 . . . . 36 LEU HB3 . 16360 1 449 . 1 1 37 37 LEU HD11 H 1 0.522 0.02 . 2 . . . . 36 LEU MD1 . 16360 1 450 . 1 1 37 37 LEU HD12 H 1 0.522 0.02 . 2 . . . . 36 LEU MD1 . 16360 1 451 . 1 1 37 37 LEU HD13 H 1 0.522 0.02 . 2 . . . . 36 LEU MD1 . 16360 1 452 . 1 1 37 37 LEU HD21 H 1 0.675 0.02 . 2 . . . . 36 LEU MD2 . 16360 1 453 . 1 1 37 37 LEU HD22 H 1 0.675 0.02 . 2 . . . . 36 LEU MD2 . 16360 1 454 . 1 1 37 37 LEU HD23 H 1 0.675 0.02 . 2 . . . . 36 LEU MD2 . 16360 1 455 . 1 1 37 37 LEU HG H 1 1.171 0.02 . 1 . . . . 36 LEU HG . 16360 1 456 . 1 1 37 37 LEU C C 13 178.799 0.30 . 1 . . . . 36 LEU C . 16360 1 457 . 1 1 37 37 LEU CA C 13 59.082 0.30 . 1 . . . . 36 LEU CA . 16360 1 458 . 1 1 37 37 LEU CB C 13 42.225 0.30 . 1 . . . . 36 LEU CB . 16360 1 459 . 1 1 37 37 LEU CD1 C 13 27.301 0.30 . 2 . . . . 36 LEU CD1 . 16360 1 460 . 1 1 37 37 LEU CD2 C 13 23.939 0.30 . 2 . . . . 36 LEU CD2 . 16360 1 461 . 1 1 37 37 LEU CG C 13 27.888 0.30 . 1 . . . . 36 LEU CG . 16360 1 462 . 1 1 37 37 LEU N N 15 122.831 0.30 . 1 . . . . 36 LEU N . 16360 1 463 . 1 1 38 38 LEU H H 1 8.784 0.02 . 1 . . . . 37 LEU H . 16360 1 464 . 1 1 38 38 LEU HA H 1 3.681 0.02 . 1 . . . . 37 LEU HA . 16360 1 465 . 1 1 38 38 LEU HB2 H 1 1.885 0.02 . 2 . . . . 37 LEU HB2 . 16360 1 466 . 1 1 38 38 LEU HB3 H 1 1.074 0.02 . 2 . . . . 37 LEU HB3 . 16360 1 467 . 1 1 38 38 LEU HD11 H 1 0.715 0.02 . 2 . . . . 37 LEU MD1 . 16360 1 468 . 1 1 38 38 LEU HD12 H 1 0.715 0.02 . 2 . . . . 37 LEU MD1 . 16360 1 469 . 1 1 38 38 LEU HD13 H 1 0.715 0.02 . 2 . . . . 37 LEU MD1 . 16360 1 470 . 1 1 38 38 LEU HD21 H 1 0.692 0.02 . 2 . . . . 37 LEU MD2 . 16360 1 471 . 1 1 38 38 LEU HD22 H 1 0.692 0.02 . 2 . . . . 37 LEU MD2 . 16360 1 472 . 1 1 38 38 LEU HD23 H 1 0.692 0.02 . 2 . . . . 37 LEU MD2 . 16360 1 473 . 1 1 38 38 LEU HG H 1 2.031 0.02 . 1 . . . . 37 LEU HG . 16360 1 474 . 1 1 38 38 LEU C C 13 178.121 0.30 . 1 . . . . 37 LEU C . 16360 1 475 . 1 1 38 38 LEU CA C 13 58.343 0.30 . 1 . . . . 37 LEU CA . 16360 1 476 . 1 1 38 38 LEU CB C 13 41.517 0.30 . 1 . . . . 37 LEU CB . 16360 1 477 . 1 1 38 38 LEU CD1 C 13 22.685 0.30 . 2 . . . . 37 LEU CD1 . 16360 1 478 . 1 1 38 38 LEU CD2 C 13 26.127 0.30 . 2 . . . . 37 LEU CD2 . 16360 1 479 . 1 1 38 38 LEU CG C 13 25.879 0.30 . 1 . . . . 37 LEU CG . 16360 1 480 . 1 1 38 38 LEU N N 15 120.011 0.30 . 1 . . . . 37 LEU N . 16360 1 481 . 1 1 39 39 GLN H H 1 8.077 0.02 . 1 . . . . 38 GLN H . 16360 1 482 . 1 1 39 39 GLN HA H 1 3.748 0.02 . 1 . . . . 38 GLN HA . 16360 1 483 . 1 1 39 39 GLN HB2 H 1 2.164 0.02 . 2 . . . . 38 GLN HB2 . 16360 1 484 . 1 1 39 39 GLN HB3 H 1 1.976 0.02 . 2 . . . . 38 GLN HB3 . 16360 1 485 . 1 1 39 39 GLN HE21 H 1 7.177 0.02 . 2 . . . . 38 GLN HE21 . 16360 1 486 . 1 1 39 39 GLN HE22 H 1 6.780 0.02 . 2 . . . . 38 GLN HE22 . 16360 1 487 . 1 1 39 39 GLN HG2 H 1 2.562 0.02 . 2 . . . . 38 GLN HG2 . 16360 1 488 . 1 1 39 39 GLN HG3 H 1 2.188 0.02 . 2 . . . . 38 GLN HG3 . 16360 1 489 . 1 1 39 39 GLN C C 13 177.549 0.30 . 1 . . . . 38 GLN C . 16360 1 490 . 1 1 39 39 GLN CA C 13 58.866 0.30 . 1 . . . . 38 GLN CA . 16360 1 491 . 1 1 39 39 GLN CB C 13 28.940 0.30 . 1 . . . . 38 GLN CB . 16360 1 492 . 1 1 39 39 GLN CG C 13 35.106 0.30 . 1 . . . . 38 GLN CG . 16360 1 493 . 1 1 39 39 GLN N N 15 113.388 0.30 . 1 . . . . 38 GLN N . 16360 1 494 . 1 1 39 39 GLN NE2 N 15 110.387 0.30 . 1 . . . . 38 GLN NE2 . 16360 1 495 . 1 1 40 40 THR H H 1 7.701 0.02 . 1 . . . . 39 THR H . 16360 1 496 . 1 1 40 40 THR HA H 1 4.281 0.02 . 1 . . . . 39 THR HA . 16360 1 497 . 1 1 40 40 THR HB H 1 4.221 0.02 . 1 . . . . 39 THR HB . 16360 1 498 . 1 1 40 40 THR HG21 H 1 1.280 0.02 . 1 . . . . 39 THR MG . 16360 1 499 . 1 1 40 40 THR HG22 H 1 1.280 0.02 . 1 . . . . 39 THR MG . 16360 1 500 . 1 1 40 40 THR HG23 H 1 1.280 0.02 . 1 . . . . 39 THR MG . 16360 1 501 . 1 1 40 40 THR C C 13 176.841 0.30 . 1 . . . . 39 THR C . 16360 1 502 . 1 1 40 40 THR CA C 13 64.688 0.30 . 1 . . . . 39 THR CA . 16360 1 503 . 1 1 40 40 THR CB C 13 69.773 0.30 . 1 . . . . 39 THR CB . 16360 1 504 . 1 1 40 40 THR CG2 C 13 21.645 0.30 . 1 . . . . 39 THR CG2 . 16360 1 505 . 1 1 40 40 THR N N 15 109.957 0.30 . 1 . . . . 39 THR N . 16360 1 506 . 1 1 41 41 GLU H H 1 8.985 0.02 . 1 . . . . 40 GLU H . 16360 1 507 . 1 1 41 41 GLU HA H 1 4.704 0.02 . 1 . . . . 40 GLU HA . 16360 1 508 . 1 1 41 41 GLU HB2 H 1 2.349 0.02 . 2 . . . . 40 GLU HB2 . 16360 1 509 . 1 1 41 41 GLU HB3 H 1 1.711 0.02 . 2 . . . . 40 GLU HB3 . 16360 1 510 . 1 1 41 41 GLU HG2 H 1 2.610 0.02 . 2 . . . . 40 GLU HG2 . 16360 1 511 . 1 1 41 41 GLU HG3 H 1 2.256 0.02 . 2 . . . . 40 GLU HG3 . 16360 1 512 . 1 1 41 41 GLU C C 13 177.085 0.30 . 1 . . . . 40 GLU C . 16360 1 513 . 1 1 41 41 GLU CA C 13 56.947 0.30 . 1 . . . . 40 GLU CA . 16360 1 514 . 1 1 41 41 GLU CB C 13 30.269 0.30 . 1 . . . . 40 GLU CB . 16360 1 515 . 1 1 41 41 GLU CG C 13 35.127 0.30 . 1 . . . . 40 GLU CG . 16360 1 516 . 1 1 41 41 GLU N N 15 118.459 0.30 . 1 . . . . 40 GLU N . 16360 1 517 . 1 1 42 42 LEU H H 1 7.737 0.02 . 1 . . . . 41 LEU H . 16360 1 518 . 1 1 42 42 LEU HA H 1 5.100 0.02 . 1 . . . . 41 LEU HA . 16360 1 519 . 1 1 42 42 LEU HB2 H 1 1.940 0.02 . 2 . . . . 41 LEU HB2 . 16360 1 520 . 1 1 42 42 LEU HB3 H 1 1.740 0.02 . 2 . . . . 41 LEU HB3 . 16360 1 521 . 1 1 42 42 LEU HD11 H 1 0.839 0.02 . 2 . . . . 41 LEU MD1 . 16360 1 522 . 1 1 42 42 LEU HD12 H 1 0.839 0.02 . 2 . . . . 41 LEU MD1 . 16360 1 523 . 1 1 42 42 LEU HD13 H 1 0.839 0.02 . 2 . . . . 41 LEU MD1 . 16360 1 524 . 1 1 42 42 LEU HD21 H 1 0.705 0.02 . 2 . . . . 41 LEU MD2 . 16360 1 525 . 1 1 42 42 LEU HD22 H 1 0.705 0.02 . 2 . . . . 41 LEU MD2 . 16360 1 526 . 1 1 42 42 LEU HD23 H 1 0.705 0.02 . 2 . . . . 41 LEU MD2 . 16360 1 527 . 1 1 42 42 LEU HG H 1 1.549 0.02 . 1 . . . . 41 LEU HG . 16360 1 528 . 1 1 42 42 LEU C C 13 177.681 0.30 . 1 . . . . 41 LEU C . 16360 1 529 . 1 1 42 42 LEU CA C 13 53.303 0.30 . 1 . . . . 41 LEU CA . 16360 1 530 . 1 1 42 42 LEU CB C 13 42.143 0.30 . 1 . . . . 41 LEU CB . 16360 1 531 . 1 1 42 42 LEU CD1 C 13 27.164 0.30 . 2 . . . . 41 LEU CD1 . 16360 1 532 . 1 1 42 42 LEU CD2 C 13 24.712 0.30 . 2 . . . . 41 LEU CD2 . 16360 1 533 . 1 1 42 42 LEU CG C 13 27.954 0.30 . 1 . . . . 41 LEU CG . 16360 1 534 . 1 1 42 42 LEU N N 15 119.195 0.30 . 1 . . . . 41 LEU N . 16360 1 535 . 1 1 43 43 SER H H 1 6.895 0.02 . 1 . . . . 42 SER H . 16360 1 536 . 1 1 43 43 SER HA H 1 3.873 0.02 . 1 . . . . 42 SER HA . 16360 1 537 . 1 1 43 43 SER HB2 H 1 4.105 0.02 . 2 . . . . 42 SER HB2 . 16360 1 538 . 1 1 43 43 SER HB3 H 1 4.008 0.02 . 2 . . . . 42 SER HB3 . 16360 1 539 . 1 1 43 43 SER C C 13 176.428 0.30 . 1 . . . . 42 SER C . 16360 1 540 . 1 1 43 43 SER CA C 13 61.833 0.30 . 1 . . . . 42 SER CA . 16360 1 541 . 1 1 43 43 SER CB C 13 62.922 0.30 . 1 . . . . 42 SER CB . 16360 1 542 . 1 1 43 43 SER N N 15 112.902 0.30 . 1 . . . . 42 SER N . 16360 1 543 . 1 1 44 44 GLY H H 1 9.247 0.02 . 1 . . . . 43 GLY H . 16360 1 544 . 1 1 44 44 GLY HA2 H 1 4.033 0.02 . 2 . . . . 43 GLY HA2 . 16360 1 545 . 1 1 44 44 GLY HA3 H 1 3.965 0.02 . 2 . . . . 43 GLY HA3 . 16360 1 546 . 1 1 44 44 GLY C C 13 178.077 0.30 . 1 . . . . 43 GLY C . 16360 1 547 . 1 1 44 44 GLY CA C 13 46.844 0.30 . 1 . . . . 43 GLY CA . 16360 1 548 . 1 1 44 44 GLY N N 15 114.401 0.30 . 1 . . . . 43 GLY N . 16360 1 549 . 1 1 45 45 PHE H H 1 8.279 0.02 . 1 . . . . 44 PHE H . 16360 1 550 . 1 1 45 45 PHE HA H 1 4.564 0.02 . 1 . . . . 44 PHE HA . 16360 1 551 . 1 1 45 45 PHE HB2 H 1 3.445 0.02 . 2 . . . . 44 PHE HB2 . 16360 1 552 . 1 1 45 45 PHE HB3 H 1 3.138 0.02 . 2 . . . . 44 PHE HB3 . 16360 1 553 . 1 1 45 45 PHE HD1 H 1 7.156 0.02 . 1 . . . . 44 PHE HD1 . 16360 1 554 . 1 1 45 45 PHE HD2 H 1 7.156 0.02 . 1 . . . . 44 PHE HD2 . 16360 1 555 . 1 1 45 45 PHE HE1 H 1 7.611 0.02 . 1 . . . . 44 PHE HE1 . 16360 1 556 . 1 1 45 45 PHE HE2 H 1 7.611 0.02 . 1 . . . . 44 PHE HE2 . 16360 1 557 . 1 1 45 45 PHE HZ H 1 7.399 0.02 . 1 . . . . 44 PHE HZ . 16360 1 558 . 1 1 45 45 PHE C C 13 178.166 0.30 . 1 . . . . 44 PHE C . 16360 1 559 . 1 1 45 45 PHE CA C 13 57.568 0.30 . 1 . . . . 44 PHE CA . 16360 1 560 . 1 1 45 45 PHE CB C 13 36.028 0.30 . 1 . . . . 44 PHE CB . 16360 1 561 . 1 1 45 45 PHE CD1 C 13 130.023 0.30 . 1 . . . . 44 PHE CD1 . 16360 1 562 . 1 1 45 45 PHE CD2 C 13 130.023 0.30 . 1 . . . . 44 PHE CD2 . 16360 1 563 . 1 1 45 45 PHE CE1 C 13 132.110 0.30 . 1 . . . . 44 PHE CE1 . 16360 1 564 . 1 1 45 45 PHE CE2 C 13 132.110 0.30 . 1 . . . . 44 PHE CE2 . 16360 1 565 . 1 1 45 45 PHE CZ C 13 128.612 0.30 . 1 . . . . 44 PHE CZ . 16360 1 566 . 1 1 45 45 PHE N N 15 124.300 0.30 . 1 . . . . 44 PHE N . 16360 1 567 . 1 1 46 46 LEU H H 1 8.591 0.02 . 1 . . . . 45 LEU H . 16360 1 568 . 1 1 46 46 LEU HA H 1 4.155 0.02 . 1 . . . . 45 LEU HA . 16360 1 569 . 1 1 46 46 LEU HB2 H 1 1.844 0.02 . 2 . . . . 45 LEU HB2 . 16360 1 570 . 1 1 46 46 LEU HB3 H 1 1.511 0.02 . 2 . . . . 45 LEU HB3 . 16360 1 571 . 1 1 46 46 LEU HD11 H 1 0.750 0.02 . 2 . . . . 45 LEU MD1 . 16360 1 572 . 1 1 46 46 LEU HD12 H 1 0.750 0.02 . 2 . . . . 45 LEU MD1 . 16360 1 573 . 1 1 46 46 LEU HD13 H 1 0.750 0.02 . 2 . . . . 45 LEU MD1 . 16360 1 574 . 1 1 46 46 LEU HD21 H 1 0.855 0.02 . 2 . . . . 45 LEU MD2 . 16360 1 575 . 1 1 46 46 LEU HD22 H 1 0.855 0.02 . 2 . . . . 45 LEU MD2 . 16360 1 576 . 1 1 46 46 LEU HD23 H 1 0.855 0.02 . 2 . . . . 45 LEU MD2 . 16360 1 577 . 1 1 46 46 LEU HG H 1 1.863 0.02 . 1 . . . . 45 LEU HG . 16360 1 578 . 1 1 46 46 LEU C C 13 179.073 0.30 . 1 . . . . 45 LEU C . 16360 1 579 . 1 1 46 46 LEU CA C 13 57.472 0.30 . 1 . . . . 45 LEU CA . 16360 1 580 . 1 1 46 46 LEU CB C 13 41.365 0.30 . 1 . . . . 45 LEU CB . 16360 1 581 . 1 1 46 46 LEU CD1 C 13 26.159 0.30 . 2 . . . . 45 LEU CD1 . 16360 1 582 . 1 1 46 46 LEU CD2 C 13 23.565 0.30 . 2 . . . . 45 LEU CD2 . 16360 1 583 . 1 1 46 46 LEU CG C 13 27.283 0.30 . 1 . . . . 45 LEU CG . 16360 1 584 . 1 1 46 46 LEU N N 15 116.148 0.30 . 1 . . . . 45 LEU N . 16360 1 585 . 1 1 47 47 ASP H H 1 7.714 0.02 . 1 . . . . 46 ASP H . 16360 1 586 . 1 1 47 47 ASP HA H 1 4.700 0.02 . 1 . . . . 46 ASP HA . 16360 1 587 . 1 1 47 47 ASP HB2 H 1 2.843 0.02 . 2 . . . . 46 ASP HB2 . 16360 1 588 . 1 1 47 47 ASP HB3 H 1 2.731 0.02 . 2 . . . . 46 ASP HB3 . 16360 1 589 . 1 1 47 47 ASP C C 13 176.154 0.30 . 1 . . . . 46 ASP C . 16360 1 590 . 1 1 47 47 ASP CA C 13 55.912 0.30 . 1 . . . . 46 ASP CA . 16360 1 591 . 1 1 47 47 ASP CB C 13 41.564 0.30 . 1 . . . . 46 ASP CB . 16360 1 592 . 1 1 47 47 ASP N N 15 119.894 0.30 . 1 . . . . 46 ASP N . 16360 1 593 . 1 1 48 48 ALA H H 1 7.703 0.02 . 1 . . . . 47 ALA H . 16360 1 594 . 1 1 48 48 ALA HA H 1 4.570 0.02 . 1 . . . . 47 ALA HA . 16360 1 595 . 1 1 48 48 ALA HB1 H 1 1.356 0.02 . 1 . . . . 47 ALA MB . 16360 1 596 . 1 1 48 48 ALA HB2 H 1 1.356 0.02 . 1 . . . . 47 ALA MB . 16360 1 597 . 1 1 48 48 ALA HB3 H 1 1.356 0.02 . 1 . . . . 47 ALA MB . 16360 1 598 . 1 1 48 48 ALA C C 13 176.220 0.30 . 1 . . . . 47 ALA C . 16360 1 599 . 1 1 48 48 ALA CA C 13 50.718 0.30 . 1 . . . . 47 ALA CA . 16360 1 600 . 1 1 48 48 ALA CB C 13 18.860 0.30 . 1 . . . . 47 ALA CB . 16360 1 601 . 1 1 48 48 ALA N N 15 123.996 0.30 . 1 . . . . 47 ALA N . 16360 1 602 . 1 1 49 49 GLN H H 1 7.566 0.02 . 1 . . . . 48 GLN H . 16360 1 603 . 1 1 49 49 GLN HA H 1 4.096 0.02 . 1 . . . . 48 GLN HA . 16360 1 604 . 1 1 49 49 GLN HB2 H 1 1.967 0.02 . 2 . . . . 48 GLN HB2 . 16360 1 605 . 1 1 49 49 GLN HB3 H 1 1.743 0.02 . 2 . . . . 48 GLN HB3 . 16360 1 606 . 1 1 49 49 GLN HE21 H 1 7.638 0.02 . 2 . . . . 48 GLN HE21 . 16360 1 607 . 1 1 49 49 GLN HE22 H 1 6.377 0.02 . 2 . . . . 48 GLN HE22 . 16360 1 608 . 1 1 49 49 GLN HG2 H 1 2.308 0.02 . 2 . . . . 48 GLN HG2 . 16360 1 609 . 1 1 49 49 GLN HG3 H 1 2.454 0.02 . 2 . . . . 48 GLN HG3 . 16360 1 610 . 1 1 49 49 GLN C C 13 175.907 0.30 . 1 . . . . 48 GLN C . 16360 1 611 . 1 1 49 49 GLN CA C 13 57.130 0.30 . 1 . . . . 48 GLN CA . 16360 1 612 . 1 1 49 49 GLN CB C 13 30.545 0.30 . 1 . . . . 48 GLN CB . 16360 1 613 . 1 1 49 49 GLN CG C 13 33.287 0.30 . 1 . . . . 48 GLN CG . 16360 1 614 . 1 1 49 49 GLN N N 15 117.155 0.30 . 1 . . . . 48 GLN N . 16360 1 615 . 1 1 49 49 GLN NE2 N 15 107.568 0.30 . 1 . . . . 48 GLN NE2 . 16360 1 616 . 1 1 50 50 LYS H H 1 7.965 0.02 . 1 . . . . 49 LYS H . 16360 1 617 . 1 1 50 50 LYS HA H 1 4.134 0.02 . 1 . . . . 49 LYS HA . 16360 1 618 . 1 1 50 50 LYS HB2 H 1 0.407 0.02 . 2 . . . . 49 LYS HB2 . 16360 1 619 . 1 1 50 50 LYS HB3 H 1 0.323 0.02 . 2 . . . . 49 LYS HB3 . 16360 1 620 . 1 1 50 50 LYS HD2 H 1 1.244 0.02 . 2 . . . . 49 LYS HD2 . 16360 1 621 . 1 1 50 50 LYS HD3 H 1 1.169 0.02 . 2 . . . . 49 LYS HD3 . 16360 1 622 . 1 1 50 50 LYS HE2 H 1 2.706 0.02 . 2 . . . . 49 LYS HE2 . 16360 1 623 . 1 1 50 50 LYS HE3 H 1 2.765 0.02 . 2 . . . . 49 LYS HE3 . 16360 1 624 . 1 1 50 50 LYS HG2 H 1 0.833 0.02 . 2 . . . . 49 LYS HG2 . 16360 1 625 . 1 1 50 50 LYS HG3 H 1 0.999 0.02 . 2 . . . . 49 LYS HG3 . 16360 1 626 . 1 1 50 50 LYS C C 13 176.183 0.30 . 1 . . . . 49 LYS C . 16360 1 627 . 1 1 50 50 LYS CA C 13 56.383 0.30 . 1 . . . . 49 LYS CA . 16360 1 628 . 1 1 50 50 LYS CB C 13 31.073 0.30 . 1 . . . . 49 LYS CB . 16360 1 629 . 1 1 50 50 LYS CD C 13 27.986 0.30 . 1 . . . . 49 LYS CD . 16360 1 630 . 1 1 50 50 LYS CE C 13 42.491 0.30 . 1 . . . . 49 LYS CE . 16360 1 631 . 1 1 50 50 LYS CG C 13 25.057 0.30 . 1 . . . . 49 LYS CG . 16360 1 632 . 1 1 50 50 LYS N N 15 121.288 0.30 . 1 . . . . 49 LYS N . 16360 1 633 . 1 1 51 51 ASP H H 1 7.502 0.02 . 1 . . . . 50 ASP H . 16360 1 634 . 1 1 51 51 ASP HA H 1 4.662 0.02 . 1 . . . . 50 ASP HA . 16360 1 635 . 1 1 51 51 ASP HB2 H 1 3.035 0.02 . 2 . . . . 50 ASP HB2 . 16360 1 636 . 1 1 51 51 ASP HB3 H 1 2.619 0.02 . 2 . . . . 50 ASP HB3 . 16360 1 637 . 1 1 51 51 ASP C C 13 175.473 0.30 . 1 . . . . 50 ASP C . 16360 1 638 . 1 1 51 51 ASP CA C 13 51.817 0.30 . 1 . . . . 50 ASP CA . 16360 1 639 . 1 1 51 51 ASP CB C 13 39.836 0.30 . 1 . . . . 50 ASP CB . 16360 1 640 . 1 1 51 51 ASP N N 15 119.094 0.30 . 1 . . . . 50 ASP N . 16360 1 641 . 1 1 52 52 VAL H H 1 7.621 0.02 . 1 . . . . 51 VAL H . 16360 1 642 . 1 1 52 52 VAL HA H 1 3.846 0.02 . 1 . . . . 51 VAL HA . 16360 1 643 . 1 1 52 52 VAL HB H 1 1.979 0.02 . 1 . . . . 51 VAL HB . 16360 1 644 . 1 1 52 52 VAL HG11 H 1 0.907 0.02 . 2 . . . . 51 VAL MG1 . 16360 1 645 . 1 1 52 52 VAL HG12 H 1 0.907 0.02 . 2 . . . . 51 VAL MG1 . 16360 1 646 . 1 1 52 52 VAL HG13 H 1 0.907 0.02 . 2 . . . . 51 VAL MG1 . 16360 1 647 . 1 1 52 52 VAL HG21 H 1 0.908 0.02 . 2 . . . . 51 VAL MG2 . 16360 1 648 . 1 1 52 52 VAL HG22 H 1 0.908 0.02 . 2 . . . . 51 VAL MG2 . 16360 1 649 . 1 1 52 52 VAL HG23 H 1 0.908 0.02 . 2 . . . . 51 VAL MG2 . 16360 1 650 . 1 1 52 52 VAL C C 13 178.169 0.30 . 1 . . . . 51 VAL C . 16360 1 651 . 1 1 52 52 VAL CA C 13 64.806 0.30 . 1 . . . . 51 VAL CA . 16360 1 652 . 1 1 52 52 VAL CB C 13 31.925 0.30 . 1 . . . . 51 VAL CB . 16360 1 653 . 1 1 52 52 VAL CG1 C 13 21.002 0.30 . 2 . . . . 51 VAL CG1 . 16360 1 654 . 1 1 52 52 VAL CG2 C 13 20.950 0.30 . 2 . . . . 51 VAL CG2 . 16360 1 655 . 1 1 52 52 VAL N N 15 121.917 0.30 . 1 . . . . 51 VAL N . 16360 1 656 . 1 1 53 53 ASP H H 1 8.078 0.02 . 1 . . . . 52 ASP H . 16360 1 657 . 1 1 53 53 ASP HA H 1 4.350 0.02 . 1 . . . . 52 ASP HA . 16360 1 658 . 1 1 53 53 ASP HB2 H 1 2.765 0.02 . 2 . . . . 52 ASP HB2 . 16360 1 659 . 1 1 53 53 ASP HB3 H 1 2.585 0.02 . 2 . . . . 52 ASP HB3 . 16360 1 660 . 1 1 53 53 ASP C C 13 178.438 0.30 . 1 . . . . 52 ASP C . 16360 1 661 . 1 1 53 53 ASP CA C 13 57.389 0.30 . 1 . . . . 52 ASP CA . 16360 1 662 . 1 1 53 53 ASP CB C 13 40.983 0.30 . 1 . . . . 52 ASP CB . 16360 1 663 . 1 1 53 53 ASP N N 15 119.579 0.30 . 1 . . . . 52 ASP N . 16360 1 664 . 1 1 54 54 ALA H H 1 7.529 0.02 . 1 . . . . 53 ALA H . 16360 1 665 . 1 1 54 54 ALA HA H 1 4.007 0.02 . 1 . . . . 53 ALA HA . 16360 1 666 . 1 1 54 54 ALA HB1 H 1 1.413 0.02 . 1 . . . . 53 ALA MB . 16360 1 667 . 1 1 54 54 ALA HB2 H 1 1.413 0.02 . 1 . . . . 53 ALA MB . 16360 1 668 . 1 1 54 54 ALA HB3 H 1 1.413 0.02 . 1 . . . . 53 ALA MB . 16360 1 669 . 1 1 54 54 ALA C C 13 180.610 0.30 . 1 . . . . 53 ALA C . 16360 1 670 . 1 1 54 54 ALA CA C 13 54.658 0.30 . 1 . . . . 53 ALA CA . 16360 1 671 . 1 1 54 54 ALA CB C 13 18.755 0.30 . 1 . . . . 53 ALA CB . 16360 1 672 . 1 1 54 54 ALA N N 15 122.097 0.30 . 1 . . . . 53 ALA N . 16360 1 673 . 1 1 55 55 VAL H H 1 7.283 0.02 . 1 . . . . 54 VAL H . 16360 1 674 . 1 1 55 55 VAL HA H 1 3.331 0.02 . 1 . . . . 54 VAL HA . 16360 1 675 . 1 1 55 55 VAL HB H 1 2.114 0.02 . 1 . . . . 54 VAL HB . 16360 1 676 . 1 1 55 55 VAL HG11 H 1 0.799 0.02 . 2 . . . . 54 VAL MG1 . 16360 1 677 . 1 1 55 55 VAL HG12 H 1 0.799 0.02 . 2 . . . . 54 VAL MG1 . 16360 1 678 . 1 1 55 55 VAL HG13 H 1 0.799 0.02 . 2 . . . . 54 VAL MG1 . 16360 1 679 . 1 1 55 55 VAL HG21 H 1 0.811 0.02 . 2 . . . . 54 VAL MG2 . 16360 1 680 . 1 1 55 55 VAL HG22 H 1 0.811 0.02 . 2 . . . . 54 VAL MG2 . 16360 1 681 . 1 1 55 55 VAL HG23 H 1 0.811 0.02 . 2 . . . . 54 VAL MG2 . 16360 1 682 . 1 1 55 55 VAL C C 13 177.739 0.30 . 1 . . . . 54 VAL C . 16360 1 683 . 1 1 55 55 VAL CA C 13 66.540 0.30 . 1 . . . . 54 VAL CA . 16360 1 684 . 1 1 55 55 VAL CB C 13 31.733 0.30 . 1 . . . . 54 VAL CB . 16360 1 685 . 1 1 55 55 VAL CG1 C 13 21.857 0.30 . 2 . . . . 54 VAL CG1 . 16360 1 686 . 1 1 55 55 VAL CG2 C 13 22.447 0.30 . 2 . . . . 54 VAL CG2 . 16360 1 687 . 1 1 55 55 VAL N N 15 117.822 0.30 . 1 . . . . 54 VAL N . 16360 1 688 . 1 1 56 56 ASP H H 1 8.468 0.02 . 1 . . . . 55 ASP H . 16360 1 689 . 1 1 56 56 ASP HA H 1 4.269 0.02 . 1 . . . . 55 ASP HA . 16360 1 690 . 1 1 56 56 ASP HB2 H 1 2.764 0.02 . 2 . . . . 55 ASP HB2 . 16360 1 691 . 1 1 56 56 ASP HB3 H 1 2.575 0.02 . 2 . . . . 55 ASP HB3 . 16360 1 692 . 1 1 56 56 ASP C C 13 178.498 0.30 . 1 . . . . 55 ASP C . 16360 1 693 . 1 1 56 56 ASP CA C 13 57.553 0.30 . 1 . . . . 55 ASP CA . 16360 1 694 . 1 1 56 56 ASP CB C 13 41.179 0.30 . 1 . . . . 55 ASP CB . 16360 1 695 . 1 1 56 56 ASP N N 15 119.602 0.30 . 1 . . . . 55 ASP N . 16360 1 696 . 1 1 57 57 LYS H H 1 7.922 0.02 . 1 . . . . 56 LYS H . 16360 1 697 . 1 1 57 57 LYS HA H 1 3.921 0.02 . 1 . . . . 56 LYS HA . 16360 1 698 . 1 1 57 57 LYS HB2 H 1 1.894 0.02 . 2 . . . . 56 LYS HB2 . 16360 1 699 . 1 1 57 57 LYS HB3 H 1 1.846 0.02 . 2 . . . . 56 LYS HB3 . 16360 1 700 . 1 1 57 57 LYS HD2 H 1 1.634 0.02 . 2 . . . . 56 LYS HD2 . 16360 1 701 . 1 1 57 57 LYS HD3 H 1 1.643 0.02 . 2 . . . . 56 LYS HD3 . 16360 1 702 . 1 1 57 57 LYS HE2 H 1 2.952 0.02 . 2 . . . . 56 LYS HE2 . 16360 1 703 . 1 1 57 57 LYS HE3 H 1 2.946 0.02 . 2 . . . . 56 LYS HE3 . 16360 1 704 . 1 1 57 57 LYS HG2 H 1 1.520 0.02 . 2 . . . . 56 LYS HG2 . 16360 1 705 . 1 1 57 57 LYS HG3 H 1 1.381 0.02 . 2 . . . . 56 LYS HG3 . 16360 1 706 . 1 1 57 57 LYS C C 13 179.507 0.30 . 1 . . . . 56 LYS C . 16360 1 707 . 1 1 57 57 LYS CA C 13 59.847 0.30 . 1 . . . . 56 LYS CA . 16360 1 708 . 1 1 57 57 LYS CB C 13 32.569 0.30 . 1 . . . . 56 LYS CB . 16360 1 709 . 1 1 57 57 LYS CD C 13 29.317 0.30 . 1 . . . . 56 LYS CD . 16360 1 710 . 1 1 57 57 LYS CE C 13 42.181 0.30 . 1 . . . . 56 LYS CE . 16360 1 711 . 1 1 57 57 LYS CG C 13 25.223 0.30 . 1 . . . . 56 LYS CG . 16360 1 712 . 1 1 57 57 LYS N N 15 117.885 0.30 . 1 . . . . 56 LYS N . 16360 1 713 . 1 1 58 58 VAL H H 1 7.282 0.02 . 1 . . . . 57 VAL H . 16360 1 714 . 1 1 58 58 VAL HA H 1 3.701 0.02 . 1 . . . . 57 VAL HA . 16360 1 715 . 1 1 58 58 VAL HB H 1 2.220 0.02 . 1 . . . . 57 VAL HB . 16360 1 716 . 1 1 58 58 VAL HG11 H 1 1.020 0.02 . 2 . . . . 57 VAL MG1 . 16360 1 717 . 1 1 58 58 VAL HG12 H 1 1.020 0.02 . 2 . . . . 57 VAL MG1 . 16360 1 718 . 1 1 58 58 VAL HG13 H 1 1.020 0.02 . 2 . . . . 57 VAL MG1 . 16360 1 719 . 1 1 58 58 VAL HG21 H 1 0.908 0.02 . 2 . . . . 57 VAL MG2 . 16360 1 720 . 1 1 58 58 VAL HG22 H 1 0.908 0.02 . 2 . . . . 57 VAL MG2 . 16360 1 721 . 1 1 58 58 VAL HG23 H 1 0.908 0.02 . 2 . . . . 57 VAL MG2 . 16360 1 722 . 1 1 58 58 VAL C C 13 177.928 0.30 . 1 . . . . 57 VAL C . 16360 1 723 . 1 1 58 58 VAL CA C 13 66.140 0.30 . 1 . . . . 57 VAL CA . 16360 1 724 . 1 1 58 58 VAL CB C 13 32.136 0.30 . 1 . . . . 57 VAL CB . 16360 1 725 . 1 1 58 58 VAL CG1 C 13 22.403 0.30 . 2 . . . . 57 VAL CG1 . 16360 1 726 . 1 1 58 58 VAL CG2 C 13 21.023 0.30 . 2 . . . . 57 VAL CG2 . 16360 1 727 . 1 1 58 58 VAL N N 15 119.159 0.30 . 1 . . . . 57 VAL N . 16360 1 728 . 1 1 59 59 MET H H 1 8.326 0.02 . 1 . . . . 58 MET H . 16360 1 729 . 1 1 59 59 MET HA H 1 4.113 0.02 . 1 . . . . 58 MET HA . 16360 1 730 . 1 1 59 59 MET HB2 H 1 2.272 0.02 . 2 . . . . 58 MET HB2 . 16360 1 731 . 1 1 59 59 MET HB3 H 1 1.880 0.02 . 2 . . . . 58 MET HB3 . 16360 1 732 . 1 1 59 59 MET HE1 H 1 1.973 0.02 . 1 . . . . 58 MET ME . 16360 1 733 . 1 1 59 59 MET HE2 H 1 1.973 0.02 . 1 . . . . 58 MET ME . 16360 1 734 . 1 1 59 59 MET HE3 H 1 1.973 0.02 . 1 . . . . 58 MET ME . 16360 1 735 . 1 1 59 59 MET HG2 H 1 2.837 0.02 . 2 . . . . 58 MET HG2 . 16360 1 736 . 1 1 59 59 MET HG3 H 1 2.818 0.02 . 2 . . . . 58 MET HG3 . 16360 1 737 . 1 1 59 59 MET C C 13 178.983 0.30 . 1 . . . . 58 MET C . 16360 1 738 . 1 1 59 59 MET CA C 13 57.934 0.30 . 1 . . . . 58 MET CA . 16360 1 739 . 1 1 59 59 MET CB C 13 31.300 0.30 . 1 . . . . 58 MET CB . 16360 1 740 . 1 1 59 59 MET CE C 13 18.208 0.30 . 1 . . . . 58 MET CE . 16360 1 741 . 1 1 59 59 MET CG C 13 33.352 0.30 . 1 . . . . 58 MET CG . 16360 1 742 . 1 1 59 59 MET N N 15 115.887 0.30 . 1 . . . . 58 MET N . 16360 1 743 . 1 1 60 60 LYS H H 1 8.577 0.02 . 1 . . . . 59 LYS H . 16360 1 744 . 1 1 60 60 LYS HA H 1 4.058 0.02 . 1 . . . . 59 LYS HA . 16360 1 745 . 1 1 60 60 LYS HB2 H 1 1.879 0.02 . 2 . . . . 59 LYS HB2 . 16360 1 746 . 1 1 60 60 LYS HB3 H 1 1.873 0.02 . 2 . . . . 59 LYS HB3 . 16360 1 747 . 1 1 60 60 LYS HD2 H 1 1.614 0.02 . 2 . . . . 59 LYS HD2 . 16360 1 748 . 1 1 60 60 LYS HD3 H 1 1.639 0.02 . 2 . . . . 59 LYS HD3 . 16360 1 749 . 1 1 60 60 LYS HE2 H 1 2.955 0.02 . 2 . . . . 59 LYS HE2 . 16360 1 750 . 1 1 60 60 LYS HE3 H 1 2.938 0.02 . 2 . . . . 59 LYS HE3 . 16360 1 751 . 1 1 60 60 LYS HG2 H 1 1.630 0.02 . 2 . . . . 59 LYS HG2 . 16360 1 752 . 1 1 60 60 LYS HG3 H 1 1.384 0.02 . 2 . . . . 59 LYS HG3 . 16360 1 753 . 1 1 60 60 LYS C C 13 179.091 0.30 . 1 . . . . 59 LYS C . 16360 1 754 . 1 1 60 60 LYS CA C 13 59.320 0.30 . 1 . . . . 59 LYS CA . 16360 1 755 . 1 1 60 60 LYS CB C 13 32.430 0.30 . 1 . . . . 59 LYS CB . 16360 1 756 . 1 1 60 60 LYS CD C 13 29.198 0.30 . 1 . . . . 59 LYS CD . 16360 1 757 . 1 1 60 60 LYS CE C 13 42.042 0.30 . 1 . . . . 59 LYS CE . 16360 1 758 . 1 1 60 60 LYS CG C 13 25.237 0.30 . 1 . . . . 59 LYS CG . 16360 1 759 . 1 1 60 60 LYS N N 15 118.864 0.30 . 1 . . . . 59 LYS N . 16360 1 760 . 1 1 61 61 GLU H H 1 7.443 0.02 . 1 . . . . 60 GLU H . 16360 1 761 . 1 1 61 61 GLU HA H 1 4.028 0.02 . 1 . . . . 60 GLU HA . 16360 1 762 . 1 1 61 61 GLU HB2 H 1 2.187 0.02 . 2 . . . . 60 GLU HB2 . 16360 1 763 . 1 1 61 61 GLU HB3 H 1 2.104 0.02 . 2 . . . . 60 GLU HB3 . 16360 1 764 . 1 1 61 61 GLU HG2 H 1 2.262 0.02 . 2 . . . . 60 GLU HG2 . 16360 1 765 . 1 1 61 61 GLU HG3 H 1 2.374 0.02 . 2 . . . . 60 GLU HG3 . 16360 1 766 . 1 1 61 61 GLU C C 13 179.106 0.30 . 1 . . . . 60 GLU C . 16360 1 767 . 1 1 61 61 GLU CA C 13 59.648 0.30 . 1 . . . . 60 GLU CA . 16360 1 768 . 1 1 61 61 GLU CB C 13 28.833 0.30 . 1 . . . . 60 GLU CB . 16360 1 769 . 1 1 61 61 GLU CG C 13 36.251 0.30 . 1 . . . . 60 GLU CG . 16360 1 770 . 1 1 61 61 GLU N N 15 119.818 0.30 . 1 . . . . 60 GLU N . 16360 1 771 . 1 1 62 62 LEU H H 1 7.591 0.02 . 1 . . . . 61 LEU H . 16360 1 772 . 1 1 62 62 LEU HA H 1 3.942 0.02 . 1 . . . . 61 LEU HA . 16360 1 773 . 1 1 62 62 LEU HB2 H 1 1.849 0.02 . 2 . . . . 61 LEU HB2 . 16360 1 774 . 1 1 62 62 LEU HB3 H 1 1.495 0.02 . 2 . . . . 61 LEU HB3 . 16360 1 775 . 1 1 62 62 LEU HD11 H 1 0.786 0.02 . 2 . . . . 61 LEU MD1 . 16360 1 776 . 1 1 62 62 LEU HD12 H 1 0.786 0.02 . 2 . . . . 61 LEU MD1 . 16360 1 777 . 1 1 62 62 LEU HD13 H 1 0.786 0.02 . 2 . . . . 61 LEU MD1 . 16360 1 778 . 1 1 62 62 LEU HD21 H 1 0.827 0.02 . 2 . . . . 61 LEU MD2 . 16360 1 779 . 1 1 62 62 LEU HD22 H 1 0.827 0.02 . 2 . . . . 61 LEU MD2 . 16360 1 780 . 1 1 62 62 LEU HD23 H 1 0.827 0.02 . 2 . . . . 61 LEU MD2 . 16360 1 781 . 1 1 62 62 LEU C C 13 177.940 0.30 . 1 . . . . 61 LEU C . 16360 1 782 . 1 1 62 62 LEU CA C 13 57.293 0.30 . 1 . . . . 61 LEU CA . 16360 1 783 . 1 1 62 62 LEU CB C 13 40.851 0.30 . 1 . . . . 61 LEU CB . 16360 1 784 . 1 1 62 62 LEU CD1 C 13 26.230 0.30 . 2 . . . . 61 LEU CD1 . 16360 1 785 . 1 1 62 62 LEU CD2 C 13 22.467 0.30 . 2 . . . . 61 LEU CD2 . 16360 1 786 . 1 1 62 62 LEU CG C 13 26.230 0.30 . 1 . . . . 61 LEU CG . 16360 1 787 . 1 1 62 62 LEU N N 15 116.910 0.30 . 1 . . . . 61 LEU N . 16360 1 788 . 1 1 63 63 ASP H H 1 7.547 0.02 . 1 . . . . 62 ASP H . 16360 1 789 . 1 1 63 63 ASP HA H 1 4.462 0.02 . 1 . . . . 62 ASP HA . 16360 1 790 . 1 1 63 63 ASP HB2 H 1 2.704 0.02 . 2 . . . . 62 ASP HB2 . 16360 1 791 . 1 1 63 63 ASP HB3 H 1 2.687 0.02 . 2 . . . . 62 ASP HB3 . 16360 1 792 . 1 1 63 63 ASP C C 13 178.883 0.30 . 1 . . . . 62 ASP C . 16360 1 793 . 1 1 63 63 ASP CA C 13 56.168 0.30 . 1 . . . . 62 ASP CA . 16360 1 794 . 1 1 63 63 ASP CB C 13 41.757 0.30 . 1 . . . . 62 ASP CB . 16360 1 795 . 1 1 63 63 ASP N N 15 115.928 0.30 . 1 . . . . 62 ASP N . 16360 1 796 . 1 1 64 64 GLU H H 1 8.086 0.02 . 1 . . . . 63 GLU H . 16360 1 797 . 1 1 64 64 GLU HA H 1 4.102 0.02 . 1 . . . . 63 GLU HA . 16360 1 798 . 1 1 64 64 GLU HB2 H 1 2.027 0.02 . 2 . . . . 63 GLU HB2 . 16360 1 799 . 1 1 64 64 GLU HB3 H 1 2.011 0.02 . 2 . . . . 63 GLU HB3 . 16360 1 800 . 1 1 64 64 GLU HG2 H 1 2.406 0.02 . 2 . . . . 63 GLU HG2 . 16360 1 801 . 1 1 64 64 GLU HG3 H 1 2.245 0.02 . 2 . . . . 63 GLU HG3 . 16360 1 802 . 1 1 64 64 GLU C C 13 176.964 0.30 . 1 . . . . 63 GLU C . 16360 1 803 . 1 1 64 64 GLU CA C 13 58.057 0.30 . 1 . . . . 63 GLU CA . 16360 1 804 . 1 1 64 64 GLU CB C 13 30.097 0.30 . 1 . . . . 63 GLU CB . 16360 1 805 . 1 1 64 64 GLU CG C 13 36.463 0.30 . 1 . . . . 63 GLU CG . 16360 1 806 . 1 1 64 64 GLU N N 15 118.863 0.30 . 1 . . . . 63 GLU N . 16360 1 807 . 1 1 65 65 ASN H H 1 7.707 0.02 . 1 . . . . 64 ASN H . 16360 1 808 . 1 1 65 65 ASN HA H 1 5.130 0.02 . 1 . . . . 64 ASN HA . 16360 1 809 . 1 1 65 65 ASN HB2 H 1 2.902 0.02 . 2 . . . . 64 ASN HB2 . 16360 1 810 . 1 1 65 65 ASN HB3 H 1 2.658 0.02 . 2 . . . . 64 ASN HB3 . 16360 1 811 . 1 1 65 65 ASN HD21 H 1 8.021 0.02 . 2 . . . . 64 ASN HD21 . 16360 1 812 . 1 1 65 65 ASN HD22 H 1 6.999 0.02 . 2 . . . . 64 ASN HD22 . 16360 1 813 . 1 1 65 65 ASN C C 13 176.250 0.30 . 1 . . . . 64 ASN C . 16360 1 814 . 1 1 65 65 ASN CA C 13 52.069 0.30 . 1 . . . . 64 ASN CA . 16360 1 815 . 1 1 65 65 ASN CB C 13 38.706 0.30 . 1 . . . . 64 ASN CB . 16360 1 816 . 1 1 65 65 ASN N N 15 117.679 0.30 . 1 . . . . 64 ASN N . 16360 1 817 . 1 1 65 65 ASN ND2 N 15 114.511 0.30 . 1 . . . . 64 ASN ND2 . 16360 1 818 . 1 1 66 66 GLY H H 1 7.716 0.02 . 1 . . . . 65 GLY H . 16360 1 819 . 1 1 66 66 GLY HA2 H 1 3.950 0.02 . 2 . . . . 65 GLY HA2 . 16360 1 820 . 1 1 66 66 GLY HA3 H 1 3.968 0.02 . 2 . . . . 65 GLY HA3 . 16360 1 821 . 1 1 66 66 GLY C C 13 174.084 0.30 . 1 . . . . 65 GLY C . 16360 1 822 . 1 1 66 66 GLY CA C 13 47.937 0.30 . 1 . . . . 65 GLY CA . 16360 1 823 . 1 1 66 66 GLY N N 15 107.009 0.30 . 1 . . . . 65 GLY N . 16360 1 824 . 1 1 67 67 ASP H H 1 8.277 0.02 . 1 . . . . 66 ASP H . 16360 1 825 . 1 1 67 67 ASP HA H 1 4.812 0.02 . 1 . . . . 66 ASP HA . 16360 1 826 . 1 1 67 67 ASP HB2 H 1 2.771 0.02 . 2 . . . . 66 ASP HB2 . 16360 1 827 . 1 1 67 67 ASP HB3 H 1 2.663 0.02 . 2 . . . . 66 ASP HB3 . 16360 1 828 . 1 1 67 67 ASP C C 13 177.865 0.30 . 1 . . . . 66 ASP C . 16360 1 829 . 1 1 67 67 ASP CA C 13 54.153 0.30 . 1 . . . . 66 ASP CA . 16360 1 830 . 1 1 67 67 ASP CB C 13 40.724 0.30 . 1 . . . . 66 ASP CB . 16360 1 831 . 1 1 67 67 ASP N N 15 115.591 0.30 . 1 . . . . 66 ASP N . 16360 1 832 . 1 1 68 68 GLY H H 1 8.222 0.02 . 1 . . . . 67 GLY H . 16360 1 833 . 1 1 68 68 GLY HA2 H 1 4.193 0.02 . 2 . . . . 67 GLY HA2 . 16360 1 834 . 1 1 68 68 GLY HA3 H 1 3.844 0.02 . 2 . . . . 67 GLY HA3 . 16360 1 835 . 1 1 68 68 GLY C C 13 172.411 0.30 . 1 . . . . 67 GLY C . 16360 1 836 . 1 1 68 68 GLY CA C 13 45.008 0.30 . 1 . . . . 67 GLY CA . 16360 1 837 . 1 1 68 68 GLY N N 15 109.024 0.30 . 1 . . . . 67 GLY N . 16360 1 838 . 1 1 69 69 GLU H H 1 8.420 0.02 . 1 . . . . 68 GLU H . 16360 1 839 . 1 1 69 69 GLU HA H 1 5.197 0.02 . 1 . . . . 68 GLU HA . 16360 1 840 . 1 1 69 69 GLU HB2 H 1 1.904 0.02 . 2 . . . . 68 GLU HB2 . 16360 1 841 . 1 1 69 69 GLU HB3 H 1 1.892 0.02 . 2 . . . . 68 GLU HB3 . 16360 1 842 . 1 1 69 69 GLU HG2 H 1 2.230 0.02 . 2 . . . . 68 GLU HG2 . 16360 1 843 . 1 1 69 69 GLU HG3 H 1 2.060 0.02 . 2 . . . . 68 GLU HG3 . 16360 1 844 . 1 1 69 69 GLU C C 13 176.142 0.30 . 1 . . . . 68 GLU C . 16360 1 845 . 1 1 69 69 GLU CA C 13 55.084 0.30 . 1 . . . . 68 GLU CA . 16360 1 846 . 1 1 69 69 GLU CB C 13 33.871 0.30 . 1 . . . . 68 GLU CB . 16360 1 847 . 1 1 69 69 GLU CG C 13 36.171 0.30 . 1 . . . . 68 GLU CG . 16360 1 848 . 1 1 69 69 GLU N N 15 117.573 0.30 . 1 . . . . 68 GLU N . 16360 1 849 . 1 1 70 70 VAL H H 1 9.154 0.02 . 1 . . . . 69 VAL H . 16360 1 850 . 1 1 70 70 VAL HA H 1 4.924 0.02 . 1 . . . . 69 VAL HA . 16360 1 851 . 1 1 70 70 VAL HB H 1 2.425 0.02 . 1 . . . . 69 VAL HB . 16360 1 852 . 1 1 70 70 VAL HG11 H 1 0.978 0.02 . 2 . . . . 69 VAL MG1 . 16360 1 853 . 1 1 70 70 VAL HG12 H 1 0.978 0.02 . 2 . . . . 69 VAL MG1 . 16360 1 854 . 1 1 70 70 VAL HG13 H 1 0.978 0.02 . 2 . . . . 69 VAL MG1 . 16360 1 855 . 1 1 70 70 VAL HG21 H 1 0.899 0.02 . 2 . . . . 69 VAL MG2 . 16360 1 856 . 1 1 70 70 VAL HG22 H 1 0.899 0.02 . 2 . . . . 69 VAL MG2 . 16360 1 857 . 1 1 70 70 VAL HG23 H 1 0.899 0.02 . 2 . . . . 69 VAL MG2 . 16360 1 858 . 1 1 70 70 VAL C C 13 174.416 0.30 . 1 . . . . 69 VAL C . 16360 1 859 . 1 1 70 70 VAL CA C 13 59.325 0.30 . 1 . . . . 69 VAL CA . 16360 1 860 . 1 1 70 70 VAL CB C 13 34.978 0.30 . 1 . . . . 69 VAL CB . 16360 1 861 . 1 1 70 70 VAL CG1 C 13 20.189 0.30 . 2 . . . . 69 VAL CG1 . 16360 1 862 . 1 1 70 70 VAL CG2 C 13 22.358 0.30 . 2 . . . . 69 VAL CG2 . 16360 1 863 . 1 1 70 70 VAL N N 15 115.557 0.30 . 1 . . . . 69 VAL N . 16360 1 864 . 1 1 71 71 ASP H H 1 8.246 0.02 . 1 . . . . 70 ASP H . 16360 1 865 . 1 1 71 71 ASP HA H 1 5.530 0.02 . 1 . . . . 70 ASP HA . 16360 1 866 . 1 1 71 71 ASP HB2 H 1 3.521 0.02 . 2 . . . . 70 ASP HB2 . 16360 1 867 . 1 1 71 71 ASP HB3 H 1 2.734 0.02 . 2 . . . . 70 ASP HB3 . 16360 1 868 . 1 1 71 71 ASP C C 13 176.130 0.30 . 1 . . . . 70 ASP C . 16360 1 869 . 1 1 71 71 ASP CA C 13 51.212 0.30 . 1 . . . . 70 ASP CA . 16360 1 870 . 1 1 71 71 ASP CB C 13 42.840 0.30 . 1 . . . . 70 ASP CB . 16360 1 871 . 1 1 71 71 ASP N N 15 120.978 0.30 . 1 . . . . 70 ASP N . 16360 1 872 . 1 1 72 72 PHE H H 1 9.433 0.02 . 1 . . . . 71 PHE H . 16360 1 873 . 1 1 72 72 PHE HA H 1 3.455 0.02 . 1 . . . . 71 PHE HA . 16360 1 874 . 1 1 72 72 PHE HB2 H 1 2.765 0.02 . 2 . . . . 71 PHE HB2 . 16360 1 875 . 1 1 72 72 PHE HB3 H 1 2.718 0.02 . 2 . . . . 71 PHE HB3 . 16360 1 876 . 1 1 72 72 PHE HD1 H 1 6.484 0.02 . 1 . . . . 71 PHE HD1 . 16360 1 877 . 1 1 72 72 PHE HD2 H 1 6.484 0.02 . 1 . . . . 71 PHE HD2 . 16360 1 878 . 1 1 72 72 PHE HE1 H 1 7.011 0.02 . 1 . . . . 71 PHE HE1 . 16360 1 879 . 1 1 72 72 PHE HE2 H 1 7.011 0.02 . 1 . . . . 71 PHE HE2 . 16360 1 880 . 1 1 72 72 PHE HZ H 1 7.062 0.02 . 1 . . . . 71 PHE HZ . 16360 1 881 . 1 1 72 72 PHE C C 13 176.732 0.30 . 1 . . . . 71 PHE C . 16360 1 882 . 1 1 72 72 PHE CA C 13 61.579 0.30 . 1 . . . . 71 PHE CA . 16360 1 883 . 1 1 72 72 PHE CB C 13 40.405 0.30 . 1 . . . . 71 PHE CB . 16360 1 884 . 1 1 72 72 PHE CD1 C 13 132.488 0.30 . 1 . . . . 71 PHE CD1 . 16360 1 885 . 1 1 72 72 PHE CD2 C 13 132.488 0.30 . 1 . . . . 71 PHE CD2 . 16360 1 886 . 1 1 72 72 PHE CE1 C 13 130.561 0.30 . 1 . . . . 71 PHE CE1 . 16360 1 887 . 1 1 72 72 PHE CE2 C 13 130.561 0.30 . 1 . . . . 71 PHE CE2 . 16360 1 888 . 1 1 72 72 PHE CZ C 13 128.926 0.30 . 1 . . . . 71 PHE CZ . 16360 1 889 . 1 1 72 72 PHE N N 15 119.170 0.30 . 1 . . . . 71 PHE N . 16360 1 890 . 1 1 73 73 GLN H H 1 8.100 0.02 . 1 . . . . 72 GLN H . 16360 1 891 . 1 1 73 73 GLN HA H 1 3.427 0.02 . 1 . . . . 72 GLN HA . 16360 1 892 . 1 1 73 73 GLN HB2 H 1 2.132 0.02 . 2 . . . . 72 GLN HB2 . 16360 1 893 . 1 1 73 73 GLN HB3 H 1 2.108 0.02 . 2 . . . . 72 GLN HB3 . 16360 1 894 . 1 1 73 73 GLN HE21 H 1 7.645 0.02 . 2 . . . . 72 GLN HE21 . 16360 1 895 . 1 1 73 73 GLN HE22 H 1 6.792 0.02 . 2 . . . . 72 GLN HE22 . 16360 1 896 . 1 1 73 73 GLN HG2 H 1 2.131 0.02 . 2 . . . . 72 GLN HG2 . 16360 1 897 . 1 1 73 73 GLN HG3 H 1 2.283 0.02 . 2 . . . . 72 GLN HG3 . 16360 1 898 . 1 1 73 73 GLN C C 13 177.434 0.30 . 1 . . . . 72 GLN C . 16360 1 899 . 1 1 73 73 GLN CA C 13 60.731 0.30 . 1 . . . . 72 GLN CA . 16360 1 900 . 1 1 73 73 GLN CB C 13 28.775 0.30 . 1 . . . . 72 GLN CB . 16360 1 901 . 1 1 73 73 GLN CG C 13 36.325 0.30 . 1 . . . . 72 GLN CG . 16360 1 902 . 1 1 73 73 GLN N N 15 116.606 0.30 . 1 . . . . 72 GLN N . 16360 1 903 . 1 1 73 73 GLN NE2 N 15 110.899 0.30 . 1 . . . . 72 GLN NE2 . 16360 1 904 . 1 1 74 74 GLU H H 1 8.173 0.02 . 1 . . . . 73 GLU H . 16360 1 905 . 1 1 74 74 GLU HA H 1 3.967 0.02 . 1 . . . . 73 GLU HA . 16360 1 906 . 1 1 74 74 GLU HB2 H 1 2.314 0.02 . 2 . . . . 73 GLU HB2 . 16360 1 907 . 1 1 74 74 GLU HB3 H 1 1.962 0.02 . 2 . . . . 73 GLU HB3 . 16360 1 908 . 1 1 74 74 GLU HG2 H 1 2.237 0.02 . 2 . . . . 73 GLU HG2 . 16360 1 909 . 1 1 74 74 GLU HG3 H 1 2.487 0.02 . 2 . . . . 73 GLU HG3 . 16360 1 910 . 1 1 74 74 GLU C C 13 178.929 0.30 . 1 . . . . 73 GLU C . 16360 1 911 . 1 1 74 74 GLU CA C 13 59.316 0.30 . 1 . . . . 73 GLU CA . 16360 1 912 . 1 1 74 74 GLU CB C 13 30.174 0.30 . 1 . . . . 73 GLU CB . 16360 1 913 . 1 1 74 74 GLU CG C 13 36.644 0.30 . 1 . . . . 73 GLU CG . 16360 1 914 . 1 1 74 74 GLU N N 15 119.636 0.30 . 1 . . . . 73 GLU N . 16360 1 915 . 1 1 75 75 TYR H H 1 8.184 0.02 . 1 . . . . 74 TYR H . 16360 1 916 . 1 1 75 75 TYR HA H 1 4.306 0.02 . 1 . . . . 74 TYR HA . 16360 1 917 . 1 1 75 75 TYR HB2 H 1 3.335 0.02 . 2 . . . . 74 TYR HB2 . 16360 1 918 . 1 1 75 75 TYR HB3 H 1 3.099 0.02 . 2 . . . . 74 TYR HB3 . 16360 1 919 . 1 1 75 75 TYR HD1 H 1 6.956 0.02 . 1 . . . . 74 TYR HD1 . 16360 1 920 . 1 1 75 75 TYR HD2 H 1 6.956 0.02 . 1 . . . . 74 TYR HD2 . 16360 1 921 . 1 1 75 75 TYR HE1 H 1 6.511 0.02 . 1 . . . . 74 TYR HE1 . 16360 1 922 . 1 1 75 75 TYR HE2 H 1 6.511 0.02 . 1 . . . . 74 TYR HE2 . 16360 1 923 . 1 1 75 75 TYR C C 13 175.558 0.30 . 1 . . . . 74 TYR C . 16360 1 924 . 1 1 75 75 TYR CA C 13 60.327 0.30 . 1 . . . . 74 TYR CA . 16360 1 925 . 1 1 75 75 TYR CB C 13 36.818 0.30 . 1 . . . . 74 TYR CB . 16360 1 926 . 1 1 75 75 TYR CD1 C 13 134.841 0.30 . 1 . . . . 74 TYR CD1 . 16360 1 927 . 1 1 75 75 TYR CD2 C 13 134.841 0.30 . 1 . . . . 74 TYR CD2 . 16360 1 928 . 1 1 75 75 TYR CE1 C 13 117.777 0.30 . 1 . . . . 74 TYR CE1 . 16360 1 929 . 1 1 75 75 TYR CE2 C 13 117.777 0.30 . 1 . . . . 74 TYR CE2 . 16360 1 930 . 1 1 75 75 TYR N N 15 122.138 0.30 . 1 . . . . 74 TYR N . 16360 1 931 . 1 1 76 76 VAL H H 1 7.942 0.02 . 1 . . . . 75 VAL H . 16360 1 932 . 1 1 76 76 VAL HA H 1 2.661 0.02 . 1 . . . . 75 VAL HA . 16360 1 933 . 1 1 76 76 VAL HB H 1 1.607 0.02 . 1 . . . . 75 VAL HB . 16360 1 934 . 1 1 76 76 VAL HG11 H 1 0.399 0.02 . 2 . . . . 75 VAL MG1 . 16360 1 935 . 1 1 76 76 VAL HG12 H 1 0.399 0.02 . 2 . . . . 75 VAL MG1 . 16360 1 936 . 1 1 76 76 VAL HG13 H 1 0.399 0.02 . 2 . . . . 75 VAL MG1 . 16360 1 937 . 1 1 76 76 VAL HG21 H 1 0.191 0.02 . 2 . . . . 75 VAL MG2 . 16360 1 938 . 1 1 76 76 VAL HG22 H 1 0.191 0.02 . 2 . . . . 75 VAL MG2 . 16360 1 939 . 1 1 76 76 VAL HG23 H 1 0.191 0.02 . 2 . . . . 75 VAL MG2 . 16360 1 940 . 1 1 76 76 VAL C C 13 177.431 0.30 . 1 . . . . 75 VAL C . 16360 1 941 . 1 1 76 76 VAL CA C 13 66.897 0.30 . 1 . . . . 75 VAL CA . 16360 1 942 . 1 1 76 76 VAL CB C 13 30.444 0.30 . 1 . . . . 75 VAL CB . 16360 1 943 . 1 1 76 76 VAL CG1 C 13 22.280 0.30 . 2 . . . . 75 VAL CG1 . 16360 1 944 . 1 1 76 76 VAL CG2 C 13 23.531 0.30 . 2 . . . . 75 VAL CG2 . 16360 1 945 . 1 1 76 76 VAL N N 15 120.019 0.30 . 1 . . . . 75 VAL N . 16360 1 946 . 1 1 77 77 VAL H H 1 7.528 0.02 . 1 . . . . 76 VAL H . 16360 1 947 . 1 1 77 77 VAL HA H 1 3.339 0.02 . 1 . . . . 76 VAL HA . 16360 1 948 . 1 1 77 77 VAL HB H 1 2.157 0.02 . 1 . . . . 76 VAL HB . 16360 1 949 . 1 1 77 77 VAL HG11 H 1 0.989 0.02 . 2 . . . . 76 VAL MG1 . 16360 1 950 . 1 1 77 77 VAL HG12 H 1 0.989 0.02 . 2 . . . . 76 VAL MG1 . 16360 1 951 . 1 1 77 77 VAL HG13 H 1 0.989 0.02 . 2 . . . . 76 VAL MG1 . 16360 1 952 . 1 1 77 77 VAL HG21 H 1 0.861 0.02 . 2 . . . . 76 VAL MG2 . 16360 1 953 . 1 1 77 77 VAL HG22 H 1 0.861 0.02 . 2 . . . . 76 VAL MG2 . 16360 1 954 . 1 1 77 77 VAL HG23 H 1 0.861 0.02 . 2 . . . . 76 VAL MG2 . 16360 1 955 . 1 1 77 77 VAL C C 13 178.974 0.30 . 1 . . . . 76 VAL C . 16360 1 956 . 1 1 77 77 VAL CA C 13 66.848 0.30 . 1 . . . . 76 VAL CA . 16360 1 957 . 1 1 77 77 VAL CB C 13 31.585 0.30 . 1 . . . . 76 VAL CB . 16360 1 958 . 1 1 77 77 VAL CG1 C 13 23.589 0.30 . 2 . . . . 76 VAL CG1 . 16360 1 959 . 1 1 77 77 VAL CG2 C 13 20.886 0.30 . 2 . . . . 76 VAL CG2 . 16360 1 960 . 1 1 77 77 VAL N N 15 119.242 0.30 . 1 . . . . 76 VAL N . 16360 1 961 . 1 1 78 78 LEU H H 1 7.774 0.02 . 1 . . . . 77 LEU H . 16360 1 962 . 1 1 78 78 LEU HA H 1 4.161 0.02 . 1 . . . . 77 LEU HA . 16360 1 963 . 1 1 78 78 LEU HB2 H 1 1.973 0.02 . 2 . . . . 77 LEU HB2 . 16360 1 964 . 1 1 78 78 LEU HB3 H 1 1.288 0.02 . 2 . . . . 77 LEU HB3 . 16360 1 965 . 1 1 78 78 LEU HD11 H 1 0.922 0.02 . 2 . . . . 77 LEU MD1 . 16360 1 966 . 1 1 78 78 LEU HD12 H 1 0.922 0.02 . 2 . . . . 77 LEU MD1 . 16360 1 967 . 1 1 78 78 LEU HD13 H 1 0.922 0.02 . 2 . . . . 77 LEU MD1 . 16360 1 968 . 1 1 78 78 LEU HD21 H 1 0.891 0.02 . 2 . . . . 77 LEU MD2 . 16360 1 969 . 1 1 78 78 LEU HD22 H 1 0.891 0.02 . 2 . . . . 77 LEU MD2 . 16360 1 970 . 1 1 78 78 LEU HD23 H 1 0.891 0.02 . 2 . . . . 77 LEU MD2 . 16360 1 971 . 1 1 78 78 LEU C C 13 179.240 0.30 . 1 . . . . 77 LEU C . 16360 1 972 . 1 1 78 78 LEU CA C 13 58.324 0.30 . 1 . . . . 77 LEU CA . 16360 1 973 . 1 1 78 78 LEU CB C 13 41.950 0.30 . 1 . . . . 77 LEU CB . 16360 1 974 . 1 1 78 78 LEU CD1 C 13 26.417 0.30 . 2 . . . . 77 LEU CD1 . 16360 1 975 . 1 1 78 78 LEU CD2 C 13 23.428 0.30 . 2 . . . . 77 LEU CD2 . 16360 1 976 . 1 1 78 78 LEU CG C 13 26.484 0.30 . 1 . . . . 77 LEU CG . 16360 1 977 . 1 1 78 78 LEU N N 15 121.370 0.30 . 1 . . . . 77 LEU N . 16360 1 978 . 1 1 79 79 VAL H H 1 8.341 0.02 . 1 . . . . 78 VAL H . 16360 1 979 . 1 1 79 79 VAL HA H 1 3.437 0.02 . 1 . . . . 78 VAL HA . 16360 1 980 . 1 1 79 79 VAL HB H 1 1.834 0.02 . 1 . . . . 78 VAL HB . 16360 1 981 . 1 1 79 79 VAL HG11 H 1 0.903 0.02 . 2 . . . . 78 VAL MG1 . 16360 1 982 . 1 1 79 79 VAL HG12 H 1 0.903 0.02 . 2 . . . . 78 VAL MG1 . 16360 1 983 . 1 1 79 79 VAL HG13 H 1 0.903 0.02 . 2 . . . . 78 VAL MG1 . 16360 1 984 . 1 1 79 79 VAL HG21 H 1 0.613 0.02 . 2 . . . . 78 VAL MG2 . 16360 1 985 . 1 1 79 79 VAL HG22 H 1 0.613 0.02 . 2 . . . . 78 VAL MG2 . 16360 1 986 . 1 1 79 79 VAL HG23 H 1 0.613 0.02 . 2 . . . . 78 VAL MG2 . 16360 1 987 . 1 1 79 79 VAL C C 13 180.664 0.30 . 1 . . . . 78 VAL C . 16360 1 988 . 1 1 79 79 VAL CA C 13 67.245 0.30 . 1 . . . . 78 VAL CA . 16360 1 989 . 1 1 79 79 VAL CB C 13 31.431 0.30 . 1 . . . . 78 VAL CB . 16360 1 990 . 1 1 79 79 VAL CG1 C 13 22.796 0.30 . 2 . . . . 78 VAL CG1 . 16360 1 991 . 1 1 79 79 VAL CG2 C 13 23.798 0.30 . 2 . . . . 78 VAL CG2 . 16360 1 992 . 1 1 79 79 VAL N N 15 119.375 0.30 . 1 . . . . 78 VAL N . 16360 1 993 . 1 1 80 80 ALA H H 1 9.026 0.02 . 1 . . . . 79 ALA H . 16360 1 994 . 1 1 80 80 ALA HA H 1 4.018 0.02 . 1 . . . . 79 ALA HA . 16360 1 995 . 1 1 80 80 ALA HB1 H 1 1.433 0.02 . 1 . . . . 79 ALA MB . 16360 1 996 . 1 1 80 80 ALA HB2 H 1 1.433 0.02 . 1 . . . . 79 ALA MB . 16360 1 997 . 1 1 80 80 ALA HB3 H 1 1.433 0.02 . 1 . . . . 79 ALA MB . 16360 1 998 . 1 1 80 80 ALA C C 13 178.296 0.30 . 1 . . . . 79 ALA C . 16360 1 999 . 1 1 80 80 ALA CA C 13 56.013 0.30 . 1 . . . . 79 ALA CA . 16360 1 1000 . 1 1 80 80 ALA CB C 13 17.940 0.30 . 1 . . . . 79 ALA CB . 16360 1 1001 . 1 1 80 80 ALA N N 15 125.031 0.30 . 1 . . . . 79 ALA N . 16360 1 1002 . 1 1 81 81 ALA H H 1 8.326 0.02 . 1 . . . . 80 ALA H . 16360 1 1003 . 1 1 81 81 ALA HA H 1 3.990 0.02 . 1 . . . . 80 ALA HA . 16360 1 1004 . 1 1 81 81 ALA HB1 H 1 1.508 0.02 . 1 . . . . 80 ALA MB . 16360 1 1005 . 1 1 81 81 ALA HB2 H 1 1.508 0.02 . 1 . . . . 80 ALA MB . 16360 1 1006 . 1 1 81 81 ALA HB3 H 1 1.508 0.02 . 1 . . . . 80 ALA MB . 16360 1 1007 . 1 1 81 81 ALA C C 13 181.679 0.30 . 1 . . . . 80 ALA C . 16360 1 1008 . 1 1 81 81 ALA CA C 13 55.272 0.30 . 1 . . . . 80 ALA CA . 16360 1 1009 . 1 1 81 81 ALA CB C 13 17.531 0.30 . 1 . . . . 80 ALA CB . 16360 1 1010 . 1 1 81 81 ALA N N 15 121.873 0.30 . 1 . . . . 80 ALA N . 16360 1 1011 . 1 1 82 82 LEU H H 1 8.044 0.02 . 1 . . . . 81 LEU H . 16360 1 1012 . 1 1 82 82 LEU HA H 1 4.035 0.02 . 1 . . . . 81 LEU HA . 16360 1 1013 . 1 1 82 82 LEU HB2 H 1 2.001 0.02 . 2 . . . . 81 LEU HB2 . 16360 1 1014 . 1 1 82 82 LEU HB3 H 1 1.362 0.02 . 2 . . . . 81 LEU HB3 . 16360 1 1015 . 1 1 82 82 LEU HD11 H 1 0.931 0.02 . 2 . . . . 81 LEU MD1 . 16360 1 1016 . 1 1 82 82 LEU HD12 H 1 0.931 0.02 . 2 . . . . 81 LEU MD1 . 16360 1 1017 . 1 1 82 82 LEU HD13 H 1 0.931 0.02 . 2 . . . . 81 LEU MD1 . 16360 1 1018 . 1 1 82 82 LEU HD21 H 1 0.894 0.02 . 2 . . . . 81 LEU MD2 . 16360 1 1019 . 1 1 82 82 LEU HD22 H 1 0.894 0.02 . 2 . . . . 81 LEU MD2 . 16360 1 1020 . 1 1 82 82 LEU HD23 H 1 0.894 0.02 . 2 . . . . 81 LEU MD2 . 16360 1 1021 . 1 1 82 82 LEU C C 13 178.525 0.30 . 1 . . . . 81 LEU C . 16360 1 1022 . 1 1 82 82 LEU CA C 13 57.676 0.30 . 1 . . . . 81 LEU CA . 16360 1 1023 . 1 1 82 82 LEU CB C 13 41.816 0.30 . 1 . . . . 81 LEU CB . 16360 1 1024 . 1 1 82 82 LEU CD1 C 13 27.556 0.30 . 2 . . . . 81 LEU CD1 . 16360 1 1025 . 1 1 82 82 LEU CD2 C 13 24.679 0.30 . 2 . . . . 81 LEU CD2 . 16360 1 1026 . 1 1 82 82 LEU CG C 13 27.562 0.30 . 1 . . . . 81 LEU CG . 16360 1 1027 . 1 1 82 82 LEU N N 15 117.593 0.30 . 1 . . . . 81 LEU N . 16360 1 1028 . 1 1 83 83 THR H H 1 8.301 0.02 . 1 . . . . 82 THR H . 16360 1 1029 . 1 1 83 83 THR HA H 1 3.656 0.02 . 1 . . . . 82 THR HA . 16360 1 1030 . 1 1 83 83 THR HB H 1 4.646 0.02 . 1 . . . . 82 THR HB . 16360 1 1031 . 1 1 83 83 THR HG21 H 1 1.175 0.02 . 1 . . . . 82 THR MG . 16360 1 1032 . 1 1 83 83 THR HG22 H 1 1.175 0.02 . 1 . . . . 82 THR MG . 16360 1 1033 . 1 1 83 83 THR HG23 H 1 1.175 0.02 . 1 . . . . 82 THR MG . 16360 1 1034 . 1 1 83 83 THR C C 13 176.690 0.30 . 1 . . . . 82 THR C . 16360 1 1035 . 1 1 83 83 THR CA C 13 68.843 0.30 . 1 . . . . 82 THR CA . 16360 1 1036 . 1 1 83 83 THR CB C 13 67.654 0.30 . 1 . . . . 82 THR CB . 16360 1 1037 . 1 1 83 83 THR CG2 C 13 21.770 0.30 . 1 . . . . 82 THR CG2 . 16360 1 1038 . 1 1 83 83 THR N N 15 117.503 0.30 . 1 . . . . 82 THR N . 16360 1 1039 . 1 1 84 84 VAL H H 1 7.968 0.02 . 1 . . . . 83 VAL H . 16360 1 1040 . 1 1 84 84 VAL HA H 1 3.092 0.02 . 1 . . . . 83 VAL HA . 16360 1 1041 . 1 1 84 84 VAL HB H 1 1.729 0.02 . 1 . . . . 83 VAL HB . 16360 1 1042 . 1 1 84 84 VAL HG11 H 1 0.418 0.02 . 2 . . . . 83 VAL MG1 . 16360 1 1043 . 1 1 84 84 VAL HG12 H 1 0.418 0.02 . 2 . . . . 83 VAL MG1 . 16360 1 1044 . 1 1 84 84 VAL HG13 H 1 0.418 0.02 . 2 . . . . 83 VAL MG1 . 16360 1 1045 . 1 1 84 84 VAL HG21 H 1 0.396 0.02 . 2 . . . . 83 VAL MG2 . 16360 1 1046 . 1 1 84 84 VAL HG22 H 1 0.396 0.02 . 2 . . . . 83 VAL MG2 . 16360 1 1047 . 1 1 84 84 VAL HG23 H 1 0.396 0.02 . 2 . . . . 83 VAL MG2 . 16360 1 1048 . 1 1 84 84 VAL C C 13 176.207 0.30 . 1 . . . . 83 VAL C . 16360 1 1049 . 1 1 84 84 VAL CA C 13 65.219 0.30 . 1 . . . . 83 VAL CA . 16360 1 1050 . 1 1 84 84 VAL CB C 13 30.820 0.30 . 1 . . . . 83 VAL CB . 16360 1 1051 . 1 1 84 84 VAL CG1 C 13 22.160 0.30 . 2 . . . . 83 VAL CG1 . 16360 1 1052 . 1 1 84 84 VAL CG2 C 13 20.548 0.30 . 2 . . . . 83 VAL CG2 . 16360 1 1053 . 1 1 84 84 VAL N N 15 121.282 0.30 . 1 . . . . 83 VAL N . 16360 1 1054 . 1 1 85 85 ALA H H 1 7.101 0.02 . 1 . . . . 84 ALA H . 16360 1 1055 . 1 1 85 85 ALA HA H 1 4.550 0.02 . 1 . . . . 84 ALA HA . 16360 1 1056 . 1 1 85 85 ALA HB1 H 1 1.686 0.02 . 1 . . . . 84 ALA MB . 16360 1 1057 . 1 1 85 85 ALA HB2 H 1 1.686 0.02 . 1 . . . . 84 ALA MB . 16360 1 1058 . 1 1 85 85 ALA HB3 H 1 1.686 0.02 . 1 . . . . 84 ALA MB . 16360 1 1059 . 1 1 85 85 ALA C C 13 177.883 0.30 . 1 . . . . 84 ALA C . 16360 1 1060 . 1 1 85 85 ALA CA C 13 54.043 0.30 . 1 . . . . 84 ALA CA . 16360 1 1061 . 1 1 85 85 ALA CB C 13 20.792 0.30 . 1 . . . . 84 ALA CB . 16360 1 1062 . 1 1 85 85 ALA N N 15 117.032 0.30 . 1 . . . . 84 ALA N . 16360 1 1063 . 1 1 86 86 CYS H H 1 7.368 0.02 . 1 . . . . 85 CYS H . 16360 1 1064 . 1 1 86 86 CYS HA H 1 4.520 0.02 . 1 . . . . 85 CYS HA . 16360 1 1065 . 1 1 86 86 CYS HB2 H 1 3.036 0.02 . 2 . . . . 85 CYS HB2 . 16360 1 1066 . 1 1 86 86 CYS HB3 H 1 2.488 0.02 . 2 . . . . 85 CYS HB3 . 16360 1 1067 . 1 1 86 86 CYS C C 13 173.292 0.30 . 1 . . . . 85 CYS C . 16360 1 1068 . 1 1 86 86 CYS CA C 13 60.433 0.30 . 1 . . . . 85 CYS CA . 16360 1 1069 . 1 1 86 86 CYS CB C 13 32.351 0.30 . 1 . . . . 85 CYS CB . 16360 1 1070 . 1 1 86 86 CYS N N 15 112.155 0.30 . 1 . . . . 85 CYS N . 16360 1 1071 . 1 1 87 87 ASN H H 1 8.390 0.02 . 1 . . . . 86 ASN H . 16360 1 1072 . 1 1 87 87 ASN HA H 1 4.474 0.02 . 1 . . . . 86 ASN HA . 16360 1 1073 . 1 1 87 87 ASN HB2 H 1 2.080 0.02 . 2 . . . . 86 ASN HB2 . 16360 1 1074 . 1 1 87 87 ASN HB3 H 1 2.656 0.02 . 2 . . . . 86 ASN HB3 . 16360 1 1075 . 1 1 87 87 ASN HD21 H 1 7.288 0.02 . 2 . . . . 86 ASN HD21 . 16360 1 1076 . 1 1 87 87 ASN HD22 H 1 5.970 0.02 . 2 . . . . 86 ASN HD22 . 16360 1 1077 . 1 1 87 87 ASN C C 13 175.985 0.30 . 1 . . . . 86 ASN C . 16360 1 1078 . 1 1 87 87 ASN CA C 13 54.841 0.30 . 1 . . . . 86 ASN CA . 16360 1 1079 . 1 1 87 87 ASN CB C 13 42.231 0.30 . 1 . . . . 86 ASN CB . 16360 1 1080 . 1 1 87 87 ASN N N 15 118.799 0.30 . 1 . . . . 86 ASN N . 16360 1 1081 . 1 1 87 87 ASN ND2 N 15 113.261 0.30 . 1 . . . . 86 ASN ND2 . 16360 1 1082 . 1 1 88 88 ASN HA H 1 4.300 0.02 . 1 . . . . 87 ASN HA . 16360 1 1083 . 1 1 88 88 ASN HB2 H 1 2.814 0.02 . 2 . . . . 87 ASN HB2 . 16360 1 1084 . 1 1 88 88 ASN HB3 H 1 2.769 0.02 . 2 . . . . 87 ASN HB3 . 16360 1 1085 . 1 1 88 88 ASN HD21 H 1 7.513 0.02 . 2 . . . . 87 ASN HD21 . 16360 1 1086 . 1 1 88 88 ASN HD22 H 1 6.849 0.02 . 2 . . . . 87 ASN HD22 . 16360 1 1087 . 1 1 88 88 ASN C C 13 176.272 0.30 . 1 . . . . 87 ASN C . 16360 1 1088 . 1 1 88 88 ASN CA C 13 56.146 0.30 . 1 . . . . 87 ASN CA . 16360 1 1089 . 1 1 88 88 ASN CB C 13 38.455 0.30 . 1 . . . . 87 ASN CB . 16360 1 1090 . 1 1 88 88 ASN ND2 N 15 111.649 0.30 . 1 . . . . 87 ASN ND2 . 16360 1 1091 . 1 1 89 89 PHE H H 1 8.662 0.02 . 1 . . . . 88 PHE H . 16360 1 1092 . 1 1 89 89 PHE HA H 1 4.085 0.02 . 1 . . . . 88 PHE HA . 16360 1 1093 . 1 1 89 89 PHE HB2 H 1 3.130 0.02 . 2 . . . . 88 PHE HB2 . 16360 1 1094 . 1 1 89 89 PHE HB3 H 1 2.026 0.02 . 2 . . . . 88 PHE HB3 . 16360 1 1095 . 1 1 89 89 PHE HD1 H 1 5.810 0.02 . 1 . . . . 88 PHE HD1 . 16360 1 1096 . 1 1 89 89 PHE HD2 H 1 5.810 0.02 . 1 . . . . 88 PHE HD2 . 16360 1 1097 . 1 1 89 89 PHE HE1 H 1 6.321 0.02 . 1 . . . . 88 PHE HE1 . 16360 1 1098 . 1 1 89 89 PHE HE2 H 1 6.321 0.02 . 1 . . . . 88 PHE HE2 . 16360 1 1099 . 1 1 89 89 PHE HZ H 1 6.735 0.02 . 1 . . . . 88 PHE HZ . 16360 1 1100 . 1 1 89 89 PHE C C 13 176.879 0.30 . 1 . . . . 88 PHE C . 16360 1 1101 . 1 1 89 89 PHE CA C 13 60.906 0.30 . 1 . . . . 88 PHE CA . 16360 1 1102 . 1 1 89 89 PHE CB C 13 39.559 0.30 . 1 . . . . 88 PHE CB . 16360 1 1103 . 1 1 89 89 PHE CD1 C 13 131.766 0.30 . 1 . . . . 88 PHE CD1 . 16360 1 1104 . 1 1 89 89 PHE CD2 C 13 131.766 0.30 . 1 . . . . 88 PHE CD2 . 16360 1 1105 . 1 1 89 89 PHE CE1 C 13 129.786 0.30 . 1 . . . . 88 PHE CE1 . 16360 1 1106 . 1 1 89 89 PHE CE2 C 13 129.786 0.30 . 1 . . . . 88 PHE CE2 . 16360 1 1107 . 1 1 89 89 PHE CZ C 13 128.566 0.30 . 1 . . . . 88 PHE CZ . 16360 1 1108 . 1 1 89 89 PHE N N 15 120.493 0.30 . 1 . . . . 88 PHE N . 16360 1 1109 . 1 1 90 90 PHE H H 1 7.416 0.02 . 1 . . . . 89 PHE H . 16360 1 1110 . 1 1 90 90 PHE HA H 1 3.785 0.02 . 1 . . . . 89 PHE HA . 16360 1 1111 . 1 1 90 90 PHE HB2 H 1 2.832 0.02 . 2 . . . . 89 PHE HB2 . 16360 1 1112 . 1 1 90 90 PHE HB3 H 1 2.819 0.02 . 2 . . . . 89 PHE HB3 . 16360 1 1113 . 1 1 90 90 PHE HD1 H 1 7.241 0.02 . 1 . . . . 89 PHE HD1 . 16360 1 1114 . 1 1 90 90 PHE HD2 H 1 7.241 0.02 . 1 . . . . 89 PHE HD2 . 16360 1 1115 . 1 1 90 90 PHE HE1 H 1 6.918 0.02 . 1 . . . . 89 PHE HE1 . 16360 1 1116 . 1 1 90 90 PHE HE2 H 1 6.918 0.02 . 1 . . . . 89 PHE HE2 . 16360 1 1117 . 1 1 90 90 PHE HZ H 1 7.251 0.02 . 1 . . . . 89 PHE HZ . 16360 1 1118 . 1 1 90 90 PHE C C 13 173.569 0.30 . 1 . . . . 89 PHE C . 16360 1 1119 . 1 1 90 90 PHE CA C 13 58.889 0.30 . 1 . . . . 89 PHE CA . 16360 1 1120 . 1 1 90 90 PHE CB C 13 39.149 0.30 . 1 . . . . 89 PHE CB . 16360 1 1121 . 1 1 90 90 PHE CD1 C 13 133.130 0.30 . 1 . . . . 89 PHE CD1 . 16360 1 1122 . 1 1 90 90 PHE CD2 C 13 133.130 0.30 . 1 . . . . 89 PHE CD2 . 16360 1 1123 . 1 1 90 90 PHE CE1 C 13 130.630 0.30 . 1 . . . . 89 PHE CE1 . 16360 1 1124 . 1 1 90 90 PHE CE2 C 13 130.630 0.30 . 1 . . . . 89 PHE CE2 . 16360 1 1125 . 1 1 90 90 PHE CZ C 13 132.763 0.30 . 1 . . . . 89 PHE CZ . 16360 1 1126 . 1 1 90 90 PHE N N 15 112.669 0.30 . 1 . . . . 89 PHE N . 16360 1 1127 . 1 1 91 91 TRP H H 1 7.357 0.02 . 1 . . . . 90 TRP H . 16360 1 1128 . 1 1 91 91 TRP HA H 1 4.567 0.02 . 1 . . . . 90 TRP HA . 16360 1 1129 . 1 1 91 91 TRP HB2 H 1 3.507 0.02 . 2 . . . . 90 TRP HB2 . 16360 1 1130 . 1 1 91 91 TRP HB3 H 1 2.631 0.02 . 2 . . . . 90 TRP HB3 . 16360 1 1131 . 1 1 91 91 TRP HD1 H 1 7.430 0.02 . 1 . . . . 90 TRP HD1 . 16360 1 1132 . 1 1 91 91 TRP HE1 H 1 10.476 0.02 . 1 . . . . 90 TRP HE1 . 16360 1 1133 . 1 1 91 91 TRP HE3 H 1 7.651 0.02 . 1 . . . . 90 TRP HE3 . 16360 1 1134 . 1 1 91 91 TRP HH2 H 1 7.156 0.02 . 1 . . . . 90 TRP HH2 . 16360 1 1135 . 1 1 91 91 TRP HZ2 H 1 7.466 0.02 . 1 . . . . 90 TRP HZ2 . 16360 1 1136 . 1 1 91 91 TRP HZ3 H 1 7.091 0.02 . 1 . . . . 90 TRP HZ3 . 16360 1 1137 . 1 1 91 91 TRP C C 13 175.235 0.30 . 1 . . . . 90 TRP C . 16360 1 1138 . 1 1 91 91 TRP CA C 13 56.468 0.30 . 1 . . . . 90 TRP CA . 16360 1 1139 . 1 1 91 91 TRP CB C 13 31.309 0.30 . 1 . . . . 90 TRP CB . 16360 1 1140 . 1 1 91 91 TRP CD1 C 13 128.154 0.30 . 1 . . . . 90 TRP CD1 . 16360 1 1141 . 1 1 91 91 TRP CE3 C 13 120.520 0.30 . 1 . . . . 90 TRP CE3 . 16360 1 1142 . 1 1 91 91 TRP CH2 C 13 124.128 0.30 . 1 . . . . 90 TRP CH2 . 16360 1 1143 . 1 1 91 91 TRP CZ3 C 13 121.685 0.30 . 1 . . . . 90 TRP CZ3 . 16360 1 1144 . 1 1 91 91 TRP N N 15 118.660 0.30 . 1 . . . . 90 TRP N . 16360 1 1145 . 1 1 91 91 TRP NE1 N 15 129.158 0.30 . 1 . . . . 90 TRP NE1 . 16360 1 1146 . 1 1 92 92 GLU H H 1 7.774 0.02 . 1 . . . . 91 GLU H . 16360 1 1147 . 1 1 92 92 GLU HA H 1 4.330 0.02 . 1 . . . . 91 GLU HA . 16360 1 1148 . 1 1 92 92 GLU HB2 H 1 1.989 0.02 . 2 . . . . 91 GLU HB2 . 16360 1 1149 . 1 1 92 92 GLU HB3 H 1 1.889 0.02 . 2 . . . . 91 GLU HB3 . 16360 1 1150 . 1 1 92 92 GLU HG2 H 1 2.221 0.02 . 2 . . . . 91 GLU HG2 . 16360 1 1151 . 1 1 92 92 GLU HG3 H 1 2.218 0.02 . 2 . . . . 91 GLU HG3 . 16360 1 1152 . 1 1 92 92 GLU C C 13 176.088 0.30 . 1 . . . . 91 GLU C . 16360 1 1153 . 1 1 92 92 GLU CA C 13 56.669 0.30 . 1 . . . . 91 GLU CA . 16360 1 1154 . 1 1 92 92 GLU CB C 13 30.515 0.30 . 1 . . . . 91 GLU CB . 16360 1 1155 . 1 1 92 92 GLU CG C 13 36.166 0.30 . 1 . . . . 91 GLU CG . 16360 1 1156 . 1 1 92 92 GLU N N 15 121.330 0.30 . 1 . . . . 91 GLU N . 16360 1 1157 . 1 1 93 93 ASN H H 1 8.486 0.02 . 1 . . . . 92 ASN H . 16360 1 1158 . 1 1 93 93 ASN HA H 1 4.754 0.02 . 1 . . . . 92 ASN HA . 16360 1 1159 . 1 1 93 93 ASN HB2 H 1 2.846 0.02 . 2 . . . . 92 ASN HB2 . 16360 1 1160 . 1 1 93 93 ASN HB3 H 1 2.699 0.02 . 2 . . . . 92 ASN HB3 . 16360 1 1161 . 1 1 93 93 ASN HD21 H 1 7.477 0.02 . 2 . . . . 92 ASN HD21 . 16360 1 1162 . 1 1 93 93 ASN HD22 H 1 6.838 0.02 . 2 . . . . 92 ASN HD22 . 16360 1 1163 . 1 1 93 93 ASN C C 13 174.286 0.30 . 1 . . . . 92 ASN C . 16360 1 1164 . 1 1 93 93 ASN CA C 13 53.415 0.30 . 1 . . . . 92 ASN CA . 16360 1 1165 . 1 1 93 93 ASN CB C 13 39.110 0.30 . 1 . . . . 92 ASN CB . 16360 1 1166 . 1 1 93 93 ASN N N 15 120.454 0.30 . 1 . . . . 92 ASN N . 16360 1 1167 . 1 1 93 93 ASN ND2 N 15 112.513 0.30 . 1 . . . . 92 ASN ND2 . 16360 1 1168 . 1 1 94 94 SER H H 1 7.844 0.02 . 1 . . . . 93 SER H . 16360 1 1169 . 1 1 94 94 SER HA H 1 4.249 0.02 . 1 . . . . 93 SER HA . 16360 1 1170 . 1 1 94 94 SER HB2 H 1 3.850 0.02 . 2 . . . . 93 SER HB2 . 16360 1 1171 . 1 1 94 94 SER HB3 H 1 3.837 0.02 . 2 . . . . 93 SER HB3 . 16360 1 1172 . 1 1 94 94 SER C C 13 178.669 0.30 . 1 . . . . 93 SER C . 16360 1 1173 . 1 1 94 94 SER CA C 13 60.130 0.30 . 1 . . . . 93 SER CA . 16360 1 1174 . 1 1 94 94 SER CB C 13 64.949 0.30 . 1 . . . . 93 SER CB . 16360 1 1175 . 1 1 94 94 SER N N 15 121.522 0.30 . 1 . . . . 93 SER N . 16360 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 194 16360 1 1 215 16360 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 16360 _Assigned_chem_shift_list.ID 2 _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' . . . 16360 2 2 '3D HNCO' . . . 16360 2 3 '3D HNCA' . . . 16360 2 4 '3D HN(CO)CA' . . . 16360 2 5 '3D (HCA)CO(CA)NH' . . . 16360 2 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 4 4 GLU H H 1 9.160 0.004 . 1 . . . . 3 GLU H . 16360 2 2 . 1 1 4 4 GLU N N 15 123.126 0.006 . 1 . . . . 3 GLU N . 16360 2 3 . 1 1 6 6 GLU H H 1 7.825 0.000 . 1 . . . . 5 GLU H . 16360 2 4 . 1 1 6 6 GLU N N 15 118.633 0.000 . 1 . . . . 5 GLU N . 16360 2 5 . 1 1 42 42 LEU C C 13 177.695 0.000 . 1 . . . . 41 LEU C . 16360 2 6 . 1 1 42 42 LEU CA C 13 53.332 0.000 . 1 . . . . 41 LEU CA . 16360 2 7 . 1 1 43 43 SER H H 1 6.927 0.000 . 1 . . . . 42 SER H . 16360 2 8 . 1 1 43 43 SER C C 13 176.493 0.000 . 1 . . . . 42 SER C . 16360 2 9 . 1 1 43 43 SER CA C 13 61.985 0.010 . 1 . . . . 42 SER CA . 16360 2 10 . 1 1 43 43 SER CB C 13 63.144 0.000 . 1 . . . . 42 SER CB . 16360 2 11 . 1 1 43 43 SER N N 15 112.961 0.000 . 1 . . . . 42 SER N . 16360 2 12 . 1 1 44 44 GLY H H 1 9.311 0.001 . 1 . . . . 43 GLY H . 16360 2 13 . 1 1 44 44 GLY CA C 13 46.904 0.019 . 1 . . . . 43 GLY CA . 16360 2 14 . 1 1 44 44 GLY N N 15 114.523 0.012 . 1 . . . . 43 GLY N . 16360 2 15 . 1 1 54 54 ALA H H 1 7.555 0.000 . 1 . . . . 53 ALA H . 16360 2 16 . 1 1 54 54 ALA N N 15 122.500 0.000 . 1 . . . . 53 ALA N . 16360 2 stop_ save_