################################### # 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 25008 _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' . . . 25008 1 2 '3D HNCACB' . . . 25008 1 3 '3D CBCA(CO)NH' . . . 25008 1 4 '3D HCCH-TOCSY' . . . 25008 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 1 1 VAL HA H 1 3.923 0.004 . 1 . . . A 1 VAL HA . 25008 1 2 . 1 1 1 1 VAL HB H 1 1.765 0.002 . 1 . . . A 1 VAL HB . 25008 1 3 . 1 1 1 1 VAL HG11 H 1 0.431 0.003 . 1 . . . A 1 VAL HG11 . 25008 1 4 . 1 1 1 1 VAL HG12 H 1 0.431 0.003 . 1 . . . A 1 VAL HG12 . 25008 1 5 . 1 1 1 1 VAL HG13 H 1 0.431 0.003 . 1 . . . A 1 VAL HG13 . 25008 1 6 . 1 1 1 1 VAL HG21 H 1 0.669 0.005 . 1 . . . A 1 VAL HG21 . 25008 1 7 . 1 1 1 1 VAL HG22 H 1 0.669 0.005 . 1 . . . A 1 VAL HG22 . 25008 1 8 . 1 1 1 1 VAL HG23 H 1 0.669 0.005 . 1 . . . A 1 VAL HG23 . 25008 1 9 . 1 1 1 1 VAL H H 1 7.819 0.002 . 1 . . . A 1 VAL H1 . 25008 1 10 . 1 1 1 1 VAL CG1 C 13 21.002 0.000 . 1 . . . A 1 VAL CG1 . 25008 1 11 . 1 1 1 1 VAL CG2 C 13 21.103 0.000 . 1 . . . A 1 VAL CG2 . 25008 1 12 . 1 1 1 1 VAL N N 15 120.883 0.025 . 1 . . . A 1 VAL N . 25008 1 13 . 1 1 2 2 HIS H H 1 8.415 0.003 . 1 . . . A 2 HIS H . 25008 1 14 . 1 1 2 2 HIS HA H 1 4.747 0.009 . 1 . . . A 2 HIS HA . 25008 1 15 . 1 1 2 2 HIS HB2 H 1 3.058 0.001 . 2 . . . A 2 HIS HB2 . 25008 1 16 . 1 1 2 2 HIS HB3 H 1 2.777 0.011 . 2 . . . A 2 HIS HB3 . 25008 1 17 . 1 1 2 2 HIS HD2 H 1 6.991 0.000 . 1 . . . A 2 HIS HD2 . 25008 1 18 . 1 1 2 2 HIS CB C 13 33.018 0.000 . 1 . . . A 2 HIS CB . 25008 1 19 . 1 1 2 2 HIS N N 15 124.505 0.014 . 1 . . . A 2 HIS N . 25008 1 20 . 1 1 3 3 PHE H H 1 8.744 0.008 . 1 . . . A 3 PHE H . 25008 1 21 . 1 1 3 3 PHE HA H 1 4.677 0.002 . 1 . . . A 3 PHE HA . 25008 1 22 . 1 1 3 3 PHE HB2 H 1 2.694 0.015 . 2 . . . A 3 PHE HB2 . 25008 1 23 . 1 1 3 3 PHE HB3 H 1 2.571 0.001 . 2 . . . A 3 PHE HB3 . 25008 1 24 . 1 1 3 3 PHE HD1 H 1 7.123 0.001 . 3 . . . A 3 PHE HD1 . 25008 1 25 . 1 1 3 3 PHE N N 15 121.262 0.011 . 1 . . . A 3 PHE N . 25008 1 26 . 1 1 4 4 CYS H H 1 8.882 0.009 . 1 . . . A 4 CYS H . 25008 1 27 . 1 1 4 4 CYS HA H 1 4.501 0.016 . 1 . . . A 4 CYS HA . 25008 1 28 . 1 1 4 4 CYS HB2 H 1 3.690 0.002 . 2 . . . A 4 CYS HB2 . 25008 1 29 . 1 1 4 4 CYS HB3 H 1 2.749 0.007 . 2 . . . A 4 CYS HB3 . 25008 1 30 . 1 1 4 4 CYS CA C 13 59.926 0.000 . 1 . . . A 4 CYS CA . 25008 1 31 . 1 1 4 4 CYS CB C 13 31.658 0.000 . 1 . . . A 4 CYS CB . 25008 1 32 . 1 1 4 4 CYS N N 15 126.122 0.025 . 1 . . . A 4 CYS N . 25008 1 33 . 1 1 5 5 ASP H H 1 9.971 0.017 . 1 . . . A 5 ASP H . 25008 1 34 . 1 1 5 5 ASP HA H 1 4.552 0.000 . 1 . . . A 5 ASP HA . 25008 1 35 . 1 1 5 5 ASP HB2 H 1 2.879 0.003 . 2 . . . A 5 ASP HB2 . 25008 1 36 . 1 1 5 5 ASP HB3 H 1 2.665 0.004 . 2 . . . A 5 ASP HB3 . 25008 1 37 . 1 1 5 5 ASP N N 15 131.680 7.966 . 1 . . . A 5 ASP N . 25008 1 38 . 1 1 6 6 LYS H H 1 9.426 0.002 . 1 . . . A 6 LYS H . 25008 1 39 . 1 1 6 6 LYS HA H 1 4.604 0.000 . 1 . . . A 6 LYS HA . 25008 1 40 . 1 1 6 6 LYS HB2 H 1 2.379 0.000 . 2 . . . A 6 LYS HB2 . 25008 1 41 . 1 1 6 6 LYS HB3 H 1 1.911 0.008 . 2 . . . A 6 LYS HB3 . 25008 1 42 . 1 1 6 6 LYS HG2 H 1 1.400 0.000 . 2 . . . A 6 LYS HG2 . 25008 1 43 . 1 1 6 6 LYS HG3 H 1 1.271 0.001 . 2 . . . A 6 LYS HG3 . 25008 1 44 . 1 1 6 6 LYS HD3 H 1 1.522 0.004 . 2 . . . A 6 LYS HD3 . 25008 1 45 . 1 1 6 6 LYS HE3 H 1 3.158 0.000 . 2 . . . A 6 LYS HE3 . 25008 1 46 . 1 1 6 6 LYS N N 15 121.428 0.091 . 1 . . . A 6 LYS N . 25008 1 47 . 1 1 7 7 CYS H H 1 8.253 0.002 . 1 . . . A 7 CYS H . 25008 1 48 . 1 1 7 7 CYS HA H 1 4.832 0.004 . 1 . . . A 7 CYS HA . 25008 1 49 . 1 1 7 7 CYS HB2 H 1 3.182 0.003 . 2 . . . A 7 CYS HB2 . 25008 1 50 . 1 1 7 7 CYS HB3 H 1 2.621 0.003 . 2 . . . A 7 CYS HB3 . 25008 1 51 . 1 1 7 7 CYS N N 15 117.863 0.016 . 1 . . . A 7 CYS N . 25008 1 52 . 1 1 8 8 GLY H H 1 8.146 0.002 . 1 . . . A 8 GLY H . 25008 1 53 . 1 1 8 8 GLY HA2 H 1 4.157 0.002 . 2 . . . A 8 GLY HA2 . 25008 1 54 . 1 1 8 8 GLY HA3 H 1 3.983 0.003 . 2 . . . A 8 GLY HA3 . 25008 1 55 . 1 1 8 8 GLY N N 15 112.656 0.014 . 1 . . . A 8 GLY N . 25008 1 56 . 1 1 9 9 LEU H H 1 8.430 0.001 . 1 . . . A 9 LEU H . 25008 1 57 . 1 1 9 9 LEU HA H 1 4.781 0.000 . 1 . . . A 9 LEU HA . 25008 1 58 . 1 1 9 9 LEU HB2 H 1 2.053 0.004 . 2 . . . A 9 LEU HB2 . 25008 1 59 . 1 1 9 9 LEU HB3 H 1 1.461 0.002 . 2 . . . A 9 LEU HB3 . 25008 1 60 . 1 1 9 9 LEU HG H 1 1.818 0.001 . 1 . . . A 9 LEU HG . 25008 1 61 . 1 1 9 9 LEU HD11 H 1 0.969 0.012 . 1 . . . A 9 LEU HD11 . 25008 1 62 . 1 1 9 9 LEU HD12 H 1 0.969 0.012 . 1 . . . A 9 LEU HD12 . 25008 1 63 . 1 1 9 9 LEU HD13 H 1 0.969 0.012 . 1 . . . A 9 LEU HD13 . 25008 1 64 . 1 1 9 9 LEU HD21 H 1 1.008 0.000 . 1 . . . A 9 LEU HD21 . 25008 1 65 . 1 1 9 9 LEU HD22 H 1 1.008 0.000 . 1 . . . A 9 LEU HD22 . 25008 1 66 . 1 1 9 9 LEU HD23 H 1 1.008 0.000 . 1 . . . A 9 LEU HD23 . 25008 1 67 . 1 1 9 9 LEU CD1 C 13 22.486 0.112 . 1 . . . A 9 LEU CD1 . 25008 1 68 . 1 1 9 9 LEU CD2 C 13 25.450 0.000 . 1 . . . A 9 LEU CD2 . 25008 1 69 . 1 1 9 9 LEU N N 15 123.069 0.015 . 1 . . . A 9 LEU N . 25008 1 70 . 1 1 10 10 PRO HA H 1 4.051 0.002 . 1 . . . A 10 PRO HA . 25008 1 71 . 1 1 10 10 PRO HB2 H 1 1.752 0.004 . 2 . . . A 10 PRO HB2 . 25008 1 72 . 1 1 10 10 PRO HB3 H 1 1.577 0.006 . 2 . . . A 10 PRO HB3 . 25008 1 73 . 1 1 10 10 PRO HD2 H 1 3.923 0.000 . 2 . . . A 10 PRO HD2 . 25008 1 74 . 1 1 10 10 PRO CD C 13 50.328 0.000 . 1 . . . A 10 PRO CD . 25008 1 75 . 1 1 11 11 ILE H H 1 8.440 0.002 . 1 . . . A 11 ILE H . 25008 1 76 . 1 1 11 11 ILE HA H 1 3.455 0.002 . 1 . . . A 11 ILE HA . 25008 1 77 . 1 1 11 11 ILE HB H 1 1.062 0.002 . 1 . . . A 11 ILE HB . 25008 1 78 . 1 1 11 11 ILE HG12 H 1 1.611 0.019 . 2 . . . A 11 ILE HG12 . 25008 1 79 . 1 1 11 11 ILE HG13 H 1 0.477 0.008 . 2 . . . A 11 ILE HG13 . 25008 1 80 . 1 1 11 11 ILE HG21 H 1 -0.262 0.004 . 1 . . . A 11 ILE HG21 . 25008 1 81 . 1 1 11 11 ILE HG22 H 1 -0.262 0.004 . 1 . . . A 11 ILE HG22 . 25008 1 82 . 1 1 11 11 ILE HG23 H 1 -0.262 0.004 . 1 . . . A 11 ILE HG23 . 25008 1 83 . 1 1 11 11 ILE HD11 H 1 0.422 0.006 . 1 . . . A 11 ILE HD11 . 25008 1 84 . 1 1 11 11 ILE HD12 H 1 0.422 0.006 . 1 . . . A 11 ILE HD12 . 25008 1 85 . 1 1 11 11 ILE HD13 H 1 0.422 0.006 . 1 . . . A 11 ILE HD13 . 25008 1 86 . 1 1 11 11 ILE CG2 C 13 16.918 0.072 . 1 . . . A 11 ILE CG2 . 25008 1 87 . 1 1 11 11 ILE CD1 C 13 13.298 0.065 . 1 . . . A 11 ILE CD1 . 25008 1 88 . 1 1 11 11 ILE N N 15 124.059 0.116 . 1 . . . A 11 ILE N . 25008 1 89 . 1 1 12 12 LYS H H 1 8.709 0.004 . 1 . . . A 12 LYS H . 25008 1 90 . 1 1 12 12 LYS HA H 1 4.280 0.003 . 1 . . . A 12 LYS HA . 25008 1 91 . 1 1 12 12 LYS HB3 H 1 1.815 0.002 . 2 . . . A 12 LYS HB3 . 25008 1 92 . 1 1 12 12 LYS HG2 H 1 1.438 0.001 . 2 . . . A 12 LYS HG2 . 25008 1 93 . 1 1 12 12 LYS HG3 H 1 1.318 0.001 . 2 . . . A 12 LYS HG3 . 25008 1 94 . 1 1 12 12 LYS HE3 H 1 2.953 0.000 . 2 . . . A 12 LYS HE3 . 25008 1 95 . 1 1 12 12 LYS N N 15 128.422 0.042 . 1 . . . A 12 LYS N . 25008 1 96 . 1 1 13 13 VAL H H 1 7.555 0.003 . 1 . . . A 13 VAL H . 25008 1 97 . 1 1 13 13 VAL HA H 1 4.098 0.007 . 1 . . . A 13 VAL HA . 25008 1 98 . 1 1 13 13 VAL HB H 1 1.907 0.005 . 1 . . . A 13 VAL HB . 25008 1 99 . 1 1 13 13 VAL HG11 H 1 0.774 0.014 . 1 . . . A 13 VAL HG11 . 25008 1 100 . 1 1 13 13 VAL HG12 H 1 0.774 0.014 . 1 . . . A 13 VAL HG12 . 25008 1 101 . 1 1 13 13 VAL HG13 H 1 0.774 0.014 . 1 . . . A 13 VAL HG13 . 25008 1 102 . 1 1 13 13 VAL HG21 H 1 0.823 0.005 . 1 . . . A 13 VAL HG21 . 25008 1 103 . 1 1 13 13 VAL HG22 H 1 0.823 0.005 . 1 . . . A 13 VAL HG22 . 25008 1 104 . 1 1 13 13 VAL HG23 H 1 0.823 0.005 . 1 . . . A 13 VAL HG23 . 25008 1 105 . 1 1 13 13 VAL CG1 C 13 21.329 0.000 . 1 . . . A 13 VAL CG1 . 25008 1 106 . 1 1 13 13 VAL CG2 C 13 21.142 0.083 . 1 . . . A 13 VAL CG2 . 25008 1 107 . 1 1 13 13 VAL N N 15 119.415 0.017 . 1 . . . A 13 VAL N . 25008 1 108 . 1 1 14 14 TYR H H 1 8.889 0.004 . 1 . . . A 14 TYR H . 25008 1 109 . 1 1 14 14 TYR HA H 1 4.723 0.009 . 1 . . . A 14 TYR HA . 25008 1 110 . 1 1 14 14 TYR HB2 H 1 2.797 0.006 . 2 . . . A 14 TYR HB2 . 25008 1 111 . 1 1 14 14 TYR HB3 H 1 2.586 0.004 . 2 . . . A 14 TYR HB3 . 25008 1 112 . 1 1 14 14 TYR HD1 H 1 6.712 0.006 . 3 . . . A 14 TYR HD1 . 25008 1 113 . 1 1 14 14 TYR HE2 H 1 6.512 0.007 . 3 . . . A 14 TYR HE2 . 25008 1 114 . 1 1 14 14 TYR CA C 13 57.992 0.000 . 1 . . . A 14 TYR CA . 25008 1 115 . 1 1 14 14 TYR CD2 C 13 133.701 0.000 . 1 . . . A 14 TYR CD2 . 25008 1 116 . 1 1 14 14 TYR CE2 C 13 117.990 0.037 . 1 . . . A 14 TYR CE2 . 25008 1 117 . 1 1 14 14 TYR N N 15 124.898 0.007 . 1 . . . A 14 TYR N . 25008 1 118 . 1 1 15 15 GLY H H 1 9.162 0.001 . 1 . . . A 15 GLY H . 25008 1 119 . 1 1 15 15 GLY HA2 H 1 5.114 0.007 . 2 . . . A 15 GLY HA2 . 25008 1 120 . 1 1 15 15 GLY HA3 H 1 3.036 0.003 . 2 . . . A 15 GLY HA3 . 25008 1 121 . 1 1 15 15 GLY CA C 13 45.975 0.000 . 1 . . . A 15 GLY CA . 25008 1 122 . 1 1 15 15 GLY N N 15 107.261 0.016 . 1 . . . A 15 GLY N . 25008 1 123 . 1 1 16 16 ARG H H 1 9.340 0.003 . 1 . . . A 16 ARG H . 25008 1 124 . 1 1 16 16 ARG HA H 1 4.838 0.002 . 1 . . . A 16 ARG HA . 25008 1 125 . 1 1 16 16 ARG HB2 H 1 1.005 0.000 . 2 . . . A 16 ARG HB2 . 25008 1 126 . 1 1 16 16 ARG HB3 H 1 1.924 0.000 . 2 . . . A 16 ARG HB3 . 25008 1 127 . 1 1 16 16 ARG HG2 H 1 1.006 0.001 . 2 . . . A 16 ARG HG2 . 25008 1 128 . 1 1 16 16 ARG HG3 H 1 0.867 0.014 . 2 . . . A 16 ARG HG3 . 25008 1 129 . 1 1 16 16 ARG HD3 H 1 2.571 0.000 . 2 . . . A 16 ARG HD3 . 25008 1 130 . 1 1 16 16 ARG HE H 1 5.985 0.003 . 1 . . . A 16 ARG HE . 25008 1 131 . 1 1 16 16 ARG N N 15 127.282 0.028 . 1 . . . A 16 ARG N . 25008 1 132 . 1 1 16 16 ARG NE N 15 129.974 0.014 . 1 . . . A 16 ARG NE . 25008 1 133 . 1 1 17 17 MET H H 1 9.169 0.002 . 1 . . . A 17 MET H . 25008 1 134 . 1 1 17 17 MET HA H 1 4.542 0.001 . 1 . . . A 17 MET HA . 25008 1 135 . 1 1 17 17 MET HB2 H 1 2.827 0.005 . 2 . . . A 17 MET HB2 . 25008 1 136 . 1 1 17 17 MET HB3 H 1 1.959 0.003 . 2 . . . A 17 MET HB3 . 25008 1 137 . 1 1 17 17 MET HG2 H 1 3.389 0.000 . 2 . . . A 17 MET HG2 . 25008 1 138 . 1 1 17 17 MET HE1 H 1 2.000 0.006 . 1 . . . A 17 MET HE1 . 25008 1 139 . 1 1 17 17 MET HE2 H 1 2.000 0.006 . 1 . . . A 17 MET HE2 . 25008 1 140 . 1 1 17 17 MET HE3 H 1 2.000 0.006 . 1 . . . A 17 MET HE3 . 25008 1 141 . 1 1 17 17 MET CE C 13 19.741 0.100 . 1 . . . A 17 MET CE . 25008 1 142 . 1 1 17 17 MET N N 15 126.130 0.019 . 1 . . . A 17 MET N . 25008 1 143 . 1 1 18 18 ILE H H 1 8.458 0.003 . 1 . . . A 18 ILE H . 25008 1 144 . 1 1 18 18 ILE HA H 1 4.680 0.013 . 1 . . . A 18 ILE HA . 25008 1 145 . 1 1 18 18 ILE HB H 1 2.072 0.006 . 1 . . . A 18 ILE HB . 25008 1 146 . 1 1 18 18 ILE HG12 H 1 1.502 0.001 . 2 . . . A 18 ILE HG12 . 25008 1 147 . 1 1 18 18 ILE HG13 H 1 1.070 0.005 . 2 . . . A 18 ILE HG13 . 25008 1 148 . 1 1 18 18 ILE HG21 H 1 0.831 0.009 . 1 . . . A 18 ILE HG21 . 25008 1 149 . 1 1 18 18 ILE HG22 H 1 0.831 0.009 . 1 . . . A 18 ILE HG22 . 25008 1 150 . 1 1 18 18 ILE HG23 H 1 0.831 0.009 . 1 . . . A 18 ILE HG23 . 25008 1 151 . 1 1 18 18 ILE HD11 H 1 0.557 0.003 . 1 . . . A 18 ILE HD11 . 25008 1 152 . 1 1 18 18 ILE HD12 H 1 0.557 0.003 . 1 . . . A 18 ILE HD12 . 25008 1 153 . 1 1 18 18 ILE HD13 H 1 0.557 0.003 . 1 . . . A 18 ILE HD13 . 25008 1 154 . 1 1 18 18 ILE CG2 C 13 15.886 0.000 . 1 . . . A 18 ILE CG2 . 25008 1 155 . 1 1 18 18 ILE CD1 C 13 9.254 0.000 . 1 . . . A 18 ILE CD1 . 25008 1 156 . 1 1 18 18 ILE N N 15 123.341 0.010 . 1 . . . A 18 ILE N . 25008 1 157 . 1 1 19 19 PRO HA H 1 4.689 0.000 . 1 . . . A 19 PRO HA . 25008 1 158 . 1 1 19 19 PRO HB2 H 1 2.231 0.000 . 2 . . . A 19 PRO HB2 . 25008 1 159 . 1 1 19 19 PRO HB3 H 1 2.129 0.000 . 2 . . . A 19 PRO HB3 . 25008 1 160 . 1 1 19 19 PRO HG2 H 1 1.947 0.000 . 2 . . . A 19 PRO HG2 . 25008 1 161 . 1 1 19 19 PRO HG3 H 1 1.865 0.000 . 2 . . . A 19 PRO HG3 . 25008 1 162 . 1 1 19 19 PRO HD2 H 1 3.985 0.001 . 2 . . . A 19 PRO HD2 . 25008 1 163 . 1 1 19 19 PRO HD3 H 1 3.425 0.006 . 2 . . . A 19 PRO HD3 . 25008 1 164 . 1 1 20 20 CYS H H 1 8.633 0.006 . 1 . . . A 20 CYS H . 25008 1 165 . 1 1 20 20 CYS HA H 1 4.233 0.001 . 1 . . . A 20 CYS HA . 25008 1 166 . 1 1 20 20 CYS HB2 H 1 2.907 0.003 . 2 . . . A 20 CYS HB2 . 25008 1 167 . 1 1 20 20 CYS HB3 H 1 2.588 0.004 . 2 . . . A 20 CYS HB3 . 25008 1 168 . 1 1 20 20 CYS N N 15 124.522 0.119 . 1 . . . A 20 CYS N . 25008 1 169 . 1 1 21 21 LYS H H 1 8.279 0.002 . 1 . . . A 21 LYS H . 25008 1 170 . 1 1 21 21 LYS HA H 1 3.609 0.003 . 1 . . . A 21 LYS HA . 25008 1 171 . 1 1 21 21 LYS HB2 H 1 2.269 0.002 . 2 . . . A 21 LYS HB2 . 25008 1 172 . 1 1 21 21 LYS HB3 H 1 1.831 0.002 . 2 . . . A 21 LYS HB3 . 25008 1 173 . 1 1 21 21 LYS HG2 H 1 1.462 0.000 . 2 . . . A 21 LYS HG2 . 25008 1 174 . 1 1 21 21 LYS HG3 H 1 0.747 0.001 . 2 . . . A 21 LYS HG3 . 25008 1 175 . 1 1 21 21 LYS HD2 H 1 1.348 0.000 . 2 . . . A 21 LYS HD2 . 25008 1 176 . 1 1 21 21 LYS HD3 H 1 1.111 0.000 . 2 . . . A 21 LYS HD3 . 25008 1 177 . 1 1 21 21 LYS N N 15 111.843 0.007 . 1 . . . A 21 LYS N . 25008 1 178 . 1 1 22 22 HIS H H 1 7.950 0.003 . 1 . . . A 22 HIS H . 25008 1 179 . 1 1 22 22 HIS HA H 1 4.824 0.001 . 1 . . . A 22 HIS HA . 25008 1 180 . 1 1 22 22 HIS HB2 H 1 3.282 0.002 . 2 . . . A 22 HIS HB2 . 25008 1 181 . 1 1 22 22 HIS HB3 H 1 3.020 0.002 . 2 . . . A 22 HIS HB3 . 25008 1 182 . 1 1 22 22 HIS HD2 H 1 7.013 0.000 . 1 . . . A 22 HIS HD2 . 25008 1 183 . 1 1 22 22 HIS N N 15 122.289 0.018 . 1 . . . A 22 HIS N . 25008 1 184 . 1 1 23 23 VAL H H 1 8.912 0.008 . 1 . . . A 23 VAL H . 25008 1 185 . 1 1 23 23 VAL HA H 1 5.617 0.002 . 1 . . . A 23 VAL HA . 25008 1 186 . 1 1 23 23 VAL HB H 1 2.002 0.000 . 1 . . . A 23 VAL HB . 25008 1 187 . 1 1 23 23 VAL HG11 H 1 0.656 0.001 . 1 . . . A 23 VAL HG11 . 25008 1 188 . 1 1 23 23 VAL HG12 H 1 0.656 0.001 . 1 . . . A 23 VAL HG12 . 25008 1 189 . 1 1 23 23 VAL HG13 H 1 0.656 0.001 . 1 . . . A 23 VAL HG13 . 25008 1 190 . 1 1 23 23 VAL HG21 H 1 0.653 0.006 . 1 . . . A 23 VAL HG21 . 25008 1 191 . 1 1 23 23 VAL HG22 H 1 0.653 0.006 . 1 . . . A 23 VAL HG22 . 25008 1 192 . 1 1 23 23 VAL HG23 H 1 0.653 0.006 . 1 . . . A 23 VAL HG23 . 25008 1 193 . 1 1 23 23 VAL CG1 C 13 19.096 0.073 . 1 . . . A 23 VAL CG1 . 25008 1 194 . 1 1 23 23 VAL CG2 C 13 21.852 0.098 . 1 . . . A 23 VAL CG2 . 25008 1 195 . 1 1 23 23 VAL N N 15 111.859 0.021 . 1 . . . A 23 VAL N . 25008 1 196 . 1 1 24 24 PHE H H 1 8.266 0.002 . 1 . . . A 24 PHE H . 25008 1 197 . 1 1 24 24 PHE HA H 1 4.822 0.004 . 1 . . . A 24 PHE HA . 25008 1 198 . 1 1 24 24 PHE HB2 H 1 3.691 0.002 . 2 . . . A 24 PHE HB2 . 25008 1 199 . 1 1 24 24 PHE HB3 H 1 2.417 0.001 . 2 . . . A 24 PHE HB3 . 25008 1 200 . 1 1 24 24 PHE HD2 H 1 7.187 0.001 . 3 . . . A 24 PHE HD2 . 25008 1 201 . 1 1 24 24 PHE HE1 H 1 7.289 0.006 . 3 . . . A 24 PHE HE1 . 25008 1 202 . 1 1 24 24 PHE HZ H 1 6.929 0.002 . 1 . . . A 24 PHE HZ . 25008 1 203 . 1 1 24 24 PHE N N 15 118.549 0.021 . 1 . . . A 24 PHE N . 25008 1 204 . 1 1 25 25 CYS H H 1 9.985 0.004 . 1 . . . A 25 CYS H . 25008 1 205 . 1 1 25 25 CYS HA H 1 4.943 0.008 . 1 . . . A 25 CYS HA . 25008 1 206 . 1 1 25 25 CYS HB2 H 1 3.649 0.005 . 2 . . . A 25 CYS HB2 . 25008 1 207 . 1 1 25 25 CYS HB3 H 1 2.973 0.010 . 2 . . . A 25 CYS HB3 . 25008 1 208 . 1 1 25 25 CYS CA C 13 59.593 0.003 . 1 . . . A 25 CYS CA . 25008 1 209 . 1 1 25 25 CYS CB C 13 30.178 0.013 . 1 . . . A 25 CYS CB . 25008 1 210 . 1 1 25 25 CYS N N 15 122.755 0.080 . 1 . . . A 25 CYS N . 25008 1 211 . 1 1 26 26 TYR H H 1 8.573 0.005 . 1 . . . A 26 TYR H . 25008 1 212 . 1 1 26 26 TYR HA H 1 3.797 0.000 . 1 . . . A 26 TYR HA . 25008 1 213 . 1 1 26 26 TYR HB2 H 1 2.828 0.012 . 2 . . . A 26 TYR HB2 . 25008 1 214 . 1 1 26 26 TYR HB3 H 1 2.675 0.012 . 2 . . . A 26 TYR HB3 . 25008 1 215 . 1 1 26 26 TYR HD1 H 1 6.986 0.005 . 3 . . . A 26 TYR HD1 . 25008 1 216 . 1 1 26 26 TYR HE2 H 1 6.642 0.006 . 3 . . . A 26 TYR HE2 . 25008 1 217 . 1 1 26 26 TYR CD2 C 13 132.578 0.059 . 1 . . . A 26 TYR CD2 . 25008 1 218 . 1 1 26 26 TYR CE2 C 13 118.083 0.000 . 1 . . . A 26 TYR CE2 . 25008 1 219 . 1 1 26 26 TYR N N 15 123.736 0.026 . 1 . . . A 26 TYR N . 25008 1 220 . 1 1 27 27 ASP H H 1 7.940 0.001 . 1 . . . A 27 ASP H . 25008 1 221 . 1 1 27 27 ASP HA H 1 4.217 0.003 . 1 . . . A 27 ASP HA . 25008 1 222 . 1 1 27 27 ASP HB2 H 1 2.879 0.002 . 2 . . . A 27 ASP HB2 . 25008 1 223 . 1 1 27 27 ASP HB3 H 1 2.615 0.000 . 2 . . . A 27 ASP HB3 . 25008 1 224 . 1 1 27 27 ASP N N 15 116.153 0.011 . 1 . . . A 27 ASP N . 25008 1 225 . 1 1 28 28 CYS H H 1 9.017 0.003 . 1 . . . A 28 CYS H . 25008 1 226 . 1 1 28 28 CYS HA H 1 3.865 0.005 . 1 . . . A 28 CYS HA . 25008 1 227 . 1 1 28 28 CYS HB2 H 1 3.138 0.003 . 2 . . . A 28 CYS HB2 . 25008 1 228 . 1 1 28 28 CYS HB3 H 1 2.605 0.002 . 2 . . . A 28 CYS HB3 . 25008 1 229 . 1 1 28 28 CYS N N 15 122.608 0.014 . 1 . . . A 28 CYS N . 25008 1 230 . 1 1 29 29 ALA H H 1 8.431 0.003 . 1 . . . A 29 ALA H . 25008 1 231 . 1 1 29 29 ALA HA H 1 3.756 0.007 . 1 . . . A 29 ALA HA . 25008 1 232 . 1 1 29 29 ALA HB1 H 1 1.419 0.003 . 1 . . . A 29 ALA HB1 . 25008 1 233 . 1 1 29 29 ALA HB2 H 1 1.419 0.003 . 1 . . . A 29 ALA HB2 . 25008 1 234 . 1 1 29 29 ALA HB3 H 1 1.419 0.003 . 1 . . . A 29 ALA HB3 . 25008 1 235 . 1 1 29 29 ALA CB C 13 19.441 0.103 . 1 . . . A 29 ALA CB . 25008 1 236 . 1 1 29 29 ALA N N 15 121.855 0.011 . 1 . . . A 29 ALA N . 25008 1 237 . 1 1 30 30 ILE H H 1 7.982 0.003 . 1 . . . A 30 ILE H . 25008 1 238 . 1 1 30 30 ILE HA H 1 3.853 0.004 . 1 . . . A 30 ILE HA . 25008 1 239 . 1 1 30 30 ILE HB H 1 1.639 0.004 . 1 . . . A 30 ILE HB . 25008 1 240 . 1 1 30 30 ILE HG12 H 1 1.093 0.002 . 2 . . . A 30 ILE HG12 . 25008 1 241 . 1 1 30 30 ILE HG13 H 1 0.998 0.001 . 2 . . . A 30 ILE HG13 . 25008 1 242 . 1 1 30 30 ILE HG21 H 1 0.624 0.004 . 1 . . . A 30 ILE HG21 . 25008 1 243 . 1 1 30 30 ILE HG22 H 1 0.624 0.004 . 1 . . . A 30 ILE HG22 . 25008 1 244 . 1 1 30 30 ILE HG23 H 1 0.624 0.004 . 1 . . . A 30 ILE HG23 . 25008 1 245 . 1 1 30 30 ILE HD11 H 1 0.648 0.000 . 1 . . . A 30 ILE HD11 . 25008 1 246 . 1 1 30 30 ILE HD12 H 1 0.648 0.000 . 1 . . . A 30 ILE HD12 . 25008 1 247 . 1 1 30 30 ILE HD13 H 1 0.648 0.000 . 1 . . . A 30 ILE HD13 . 25008 1 248 . 1 1 30 30 ILE CG2 C 13 18.043 0.000 . 1 . . . A 30 ILE CG2 . 25008 1 249 . 1 1 30 30 ILE CD1 C 13 12.678 0.000 . 1 . . . A 30 ILE CD1 . 25008 1 250 . 1 1 30 30 ILE N N 15 113.808 0.042 . 1 . . . A 30 ILE N . 25008 1 251 . 1 1 31 31 LEU H H 1 7.356 0.001 . 1 . . . A 31 LEU H . 25008 1 252 . 1 1 31 31 LEU HA H 1 3.947 0.003 . 1 . . . A 31 LEU HA . 25008 1 253 . 1 1 31 31 LEU HB2 H 1 1.627 0.001 . 2 . . . A 31 LEU HB2 . 25008 1 254 . 1 1 31 31 LEU HB3 H 1 1.454 0.001 . 2 . . . A 31 LEU HB3 . 25008 1 255 . 1 1 31 31 LEU HG H 1 1.559 0.002 . 1 . . . A 31 LEU HG . 25008 1 256 . 1 1 31 31 LEU HD11 H 1 0.746 0.014 . 1 . . . A 31 LEU HD11 . 25008 1 257 . 1 1 31 31 LEU HD12 H 1 0.746 0.014 . 1 . . . A 31 LEU HD12 . 25008 1 258 . 1 1 31 31 LEU HD13 H 1 0.746 0.014 . 1 . . . A 31 LEU HD13 . 25008 1 259 . 1 1 31 31 LEU HD21 H 1 0.801 0.009 . 1 . . . A 31 LEU HD21 . 25008 1 260 . 1 1 31 31 LEU HD22 H 1 0.801 0.009 . 1 . . . A 31 LEU HD22 . 25008 1 261 . 1 1 31 31 LEU HD23 H 1 0.801 0.009 . 1 . . . A 31 LEU HD23 . 25008 1 262 . 1 1 31 31 LEU CD1 C 13 24.238 0.000 . 1 . . . A 31 LEU CD1 . 25008 1 263 . 1 1 31 31 LEU CD2 C 13 24.875 0.000 . 1 . . . A 31 LEU CD2 . 25008 1 264 . 1 1 31 31 LEU N N 15 122.944 0.006 . 1 . . . A 31 LEU N . 25008 1 265 . 1 1 32 32 HIS H H 1 7.919 0.004 . 1 . . . A 32 HIS H . 25008 1 266 . 1 1 32 32 HIS HA H 1 4.262 0.012 . 1 . . . A 32 HIS HA . 25008 1 267 . 1 1 32 32 HIS HB2 H 1 3.247 0.001 . 2 . . . A 32 HIS HB2 . 25008 1 268 . 1 1 32 32 HIS HB3 H 1 2.910 0.002 . 2 . . . A 32 HIS HB3 . 25008 1 269 . 1 1 32 32 HIS HD2 H 1 7.010 0.009 . 1 . . . A 32 HIS HD2 . 25008 1 270 . 1 1 32 32 HIS N N 15 118.053 0.045 . 1 . . . A 32 HIS N . 25008 1 271 . 1 1 33 33 GLU H H 1 7.881 0.005 . 1 . . . A 33 GLU H . 25008 1 272 . 1 1 33 33 GLU HA H 1 4.039 0.000 . 1 . . . A 33 GLU HA . 25008 1 273 . 1 1 33 33 GLU HB2 H 1 2.111 0.000 . 2 . . . A 33 GLU HB2 . 25008 1 274 . 1 1 33 33 GLU HB3 H 1 1.982 0.009 . 2 . . . A 33 GLU HB3 . 25008 1 275 . 1 1 33 33 GLU HG3 H 1 2.116 0.004 . 2 . . . A 33 GLU HG3 . 25008 1 276 . 1 1 33 33 GLU CB C 13 30.068 0.000 . 1 . . . A 33 GLU CB . 25008 1 277 . 1 1 33 33 GLU N N 15 120.900 0.044 . 1 . . . A 33 GLU N . 25008 1 278 . 1 1 34 34 LYS H H 1 7.982 0.011 . 1 . . . A 34 LYS H . 25008 1 279 . 1 1 34 34 LYS HA H 1 4.066 0.005 . 1 . . . A 34 LYS HA . 25008 1 280 . 1 1 34 34 LYS HB3 H 1 1.828 0.000 . 2 . . . A 34 LYS HB3 . 25008 1 281 . 1 1 34 34 LYS HG2 H 1 1.515 0.000 . 1 . . . A 34 LYS HG2 . 25008 1 282 . 1 1 34 34 LYS HG3 H 1 1.419 0.007 . 1 . . . A 34 LYS HG3 . 25008 1 283 . 1 1 34 34 LYS HD3 H 1 1.620 0.002 . 2 . . . A 34 LYS HD3 . 25008 1 284 . 1 1 34 34 LYS HE3 H 1 2.918 0.000 . 2 . . . A 34 LYS HE3 . 25008 1 285 . 1 1 34 34 LYS N N 15 118.986 0.017 . 1 . . . A 34 LYS N . 25008 1 286 . 1 1 35 35 LYS H H 1 7.903 0.005 . 1 . . . A 35 LYS H . 25008 1 287 . 1 1 35 35 LYS HA H 1 4.152 0.006 . 1 . . . A 35 LYS HA . 25008 1 288 . 1 1 35 35 LYS HB3 H 1 1.804 0.005 . 2 . . . A 35 LYS HB3 . 25008 1 289 . 1 1 35 35 LYS HG2 H 1 1.451 0.006 . 2 . . . A 35 LYS HG2 . 25008 1 290 . 1 1 35 35 LYS HG3 H 1 1.376 0.008 . 2 . . . A 35 LYS HG3 . 25008 1 291 . 1 1 35 35 LYS HD3 H 1 1.603 0.007 . 2 . . . A 35 LYS HD3 . 25008 1 292 . 1 1 35 35 LYS HE3 H 1 2.911 0.000 . 2 . . . A 35 LYS HE3 . 25008 1 293 . 1 1 35 35 LYS N N 15 118.849 0.027 . 1 . . . A 35 LYS N . 25008 1 294 . 1 1 36 36 GLY H H 1 7.958 0.005 . 1 . . . A 36 GLY H . 25008 1 295 . 1 1 36 36 GLY HA2 H 1 4.010 0.002 . 2 . . . A 36 GLY HA2 . 25008 1 296 . 1 1 36 36 GLY HA3 H 1 3.790 0.002 . 2 . . . A 36 GLY HA3 . 25008 1 297 . 1 1 36 36 GLY N N 15 107.805 0.094 . 1 . . . A 36 GLY N . 25008 1 298 . 1 1 37 37 ASP H H 1 7.879 0.005 . 1 . . . A 37 ASP H . 25008 1 299 . 1 1 37 37 ASP HA H 1 4.531 0.001 . 1 . . . A 37 ASP HA . 25008 1 300 . 1 1 37 37 ASP HB2 H 1 2.532 0.002 . 2 . . . A 37 ASP HB2 . 25008 1 301 . 1 1 37 37 ASP HB3 H 1 2.463 0.003 . 2 . . . A 37 ASP HB3 . 25008 1 302 . 1 1 37 37 ASP N N 15 120.100 0.008 . 1 . . . A 37 ASP N . 25008 1 303 . 1 1 38 38 LYS H H 1 8.404 0.001 . 1 . . . A 38 LYS H . 25008 1 304 . 1 1 38 38 LYS HA H 1 4.176 0.001 . 1 . . . A 38 LYS HA . 25008 1 305 . 1 1 38 38 LYS HB2 H 1 2.010 0.004 . 2 . . . A 38 LYS HB2 . 25008 1 306 . 1 1 38 38 LYS HB3 H 1 1.776 0.010 . 2 . . . A 38 LYS HB3 . 25008 1 307 . 1 1 38 38 LYS HG3 H 1 1.344 0.003 . 2 . . . A 38 LYS HG3 . 25008 1 308 . 1 1 38 38 LYS HD3 H 1 1.651 0.000 . 2 . . . A 38 LYS HD3 . 25008 1 309 . 1 1 38 38 LYS HE2 H 1 3.239 0.002 . 2 . . . A 38 LYS HE2 . 25008 1 310 . 1 1 38 38 LYS HE3 H 1 2.926 0.014 . 2 . . . A 38 LYS HE3 . 25008 1 311 . 1 1 38 38 LYS N N 15 119.749 0.007 . 1 . . . A 38 LYS N . 25008 1 312 . 1 1 39 39 MET H H 1 7.966 0.003 . 1 . . . A 39 MET H . 25008 1 313 . 1 1 39 39 MET HA H 1 4.874 0.005 . 1 . . . A 39 MET HA . 25008 1 314 . 1 1 39 39 MET HB2 H 1 1.745 0.005 . 2 . . . A 39 MET HB2 . 25008 1 315 . 1 1 39 39 MET HB3 H 1 1.608 0.003 . 2 . . . A 39 MET HB3 . 25008 1 316 . 1 1 39 39 MET HG2 H 1 2.423 0.007 . 2 . . . A 39 MET HG2 . 25008 1 317 . 1 1 39 39 MET HG3 H 1 2.315 0.013 . 2 . . . A 39 MET HG3 . 25008 1 318 . 1 1 39 39 MET HE1 H 1 2.023 0.017 . 1 . . . A 39 MET HE1 . 25008 1 319 . 1 1 39 39 MET HE2 H 1 2.023 0.017 . 1 . . . A 39 MET HE2 . 25008 1 320 . 1 1 39 39 MET HE3 H 1 2.023 0.017 . 1 . . . A 39 MET HE3 . 25008 1 321 . 1 1 39 39 MET CE C 13 17.802 0.000 . 1 . . . A 39 MET CE . 25008 1 322 . 1 1 39 39 MET N N 15 119.409 0.008 . 1 . . . A 39 MET N . 25008 1 323 . 1 1 40 40 CYS H H 1 8.900 0.002 . 1 . . . A 40 CYS H . 25008 1 324 . 1 1 40 40 CYS HA H 1 4.325 0.004 . 1 . . . A 40 CYS HA . 25008 1 325 . 1 1 40 40 CYS HB2 H 1 3.264 0.002 . 2 . . . A 40 CYS HB2 . 25008 1 326 . 1 1 40 40 CYS HB3 H 1 2.905 0.004 . 2 . . . A 40 CYS HB3 . 25008 1 327 . 1 1 40 40 CYS N N 15 127.068 0.032 . 1 . . . A 40 CYS N . 25008 1 328 . 1 1 41 41 PRO HA H 1 4.117 0.000 . 1 . . . A 41 PRO HA . 25008 1 329 . 1 1 41 41 PRO HB2 H 1 1.602 0.000 . 2 . . . A 41 PRO HB2 . 25008 1 330 . 1 1 41 41 PRO HB3 H 1 1.098 0.000 . 2 . . . A 41 PRO HB3 . 25008 1 331 . 1 1 41 41 PRO HG2 H 1 0.912 0.000 . 2 . . . A 41 PRO HG2 . 25008 1 332 . 1 1 41 41 PRO HG3 H 1 0.477 0.000 . 2 . . . A 41 PRO HG3 . 25008 1 333 . 1 1 41 41 PRO HD2 H 1 3.629 0.007 . 2 . . . A 41 PRO HD2 . 25008 1 334 . 1 1 41 41 PRO HD3 H 1 3.370 0.003 . 2 . . . A 41 PRO HD3 . 25008 1 335 . 1 1 42 42 GLY H H 1 9.505 0.001 . 1 . . . A 42 GLY H . 25008 1 336 . 1 1 42 42 GLY HA2 H 1 4.186 0.003 . 2 . . . A 42 GLY HA2 . 25008 1 337 . 1 1 42 42 GLY HA3 H 1 3.874 0.002 . 2 . . . A 42 GLY HA3 . 25008 1 338 . 1 1 42 42 GLY N N 15 111.867 0.010 . 1 . . . A 42 GLY N . 25008 1 339 . 1 1 43 43 CYS H H 1 8.455 0.004 . 1 . . . A 43 CYS H . 25008 1 340 . 1 1 43 43 CYS HA H 1 4.956 0.001 . 1 . . . A 43 CYS HA . 25008 1 341 . 1 1 43 43 CYS HB2 H 1 3.430 0.018 . 2 . . . A 43 CYS HB2 . 25008 1 342 . 1 1 43 43 CYS HB3 H 1 2.685 0.005 . 2 . . . A 43 CYS HB3 . 25008 1 343 . 1 1 43 43 CYS N N 15 121.915 0.025 . 1 . . . A 43 CYS N . 25008 1 344 . 1 1 44 44 SER H H 1 8.108 0.020 . 1 . . . A 44 SER H . 25008 1 345 . 1 1 44 44 SER HA H 1 4.186 0.001 . 1 . . . A 44 SER HA . 25008 1 346 . 1 1 44 44 SER HB3 H 1 4.100 0.006 . 2 . . . A 44 SER HB3 . 25008 1 347 . 1 1 44 44 SER N N 15 114.723 0.019 . 1 . . . A 44 SER N . 25008 1 348 . 1 1 45 45 ASP H H 1 8.614 0.002 . 1 . . . A 45 ASP H . 25008 1 349 . 1 1 45 45 ASP HA H 1 4.971 0.000 . 1 . . . A 45 ASP HA . 25008 1 350 . 1 1 45 45 ASP HB2 H 1 2.927 0.001 . 2 . . . A 45 ASP HB2 . 25008 1 351 . 1 1 45 45 ASP HB3 H 1 2.577 0.000 . 2 . . . A 45 ASP HB3 . 25008 1 352 . 1 1 45 45 ASP N N 15 124.170 0.016 . 1 . . . A 45 ASP N . 25008 1 353 . 1 1 46 46 PRO HA H 1 4.763 0.000 . 1 . . . A 46 PRO HA . 25008 1 354 . 1 1 46 46 PRO HB2 H 1 2.351 0.000 . 2 . . . A 46 PRO HB2 . 25008 1 355 . 1 1 46 46 PRO HB3 H 1 1.786 0.000 . 2 . . . A 46 PRO HB3 . 25008 1 356 . 1 1 46 46 PRO HD2 H 1 3.920 0.000 . 2 . . . A 46 PRO HD2 . 25008 1 357 . 1 1 46 46 PRO HD3 H 1 3.574 0.000 . 2 . . . A 46 PRO HD3 . 25008 1 358 . 1 1 47 47 VAL H H 1 8.223 0.003 . 1 . . . A 47 VAL H . 25008 1 359 . 1 1 47 47 VAL HA H 1 4.325 0.001 . 1 . . . A 47 VAL HA . 25008 1 360 . 1 1 47 47 VAL HB H 1 1.651 0.002 . 1 . . . A 47 VAL HB . 25008 1 361 . 1 1 47 47 VAL HG11 H 1 0.878 0.006 . 1 . . . A 47 VAL HG11 . 25008 1 362 . 1 1 47 47 VAL HG12 H 1 0.878 0.006 . 1 . . . A 47 VAL HG12 . 25008 1 363 . 1 1 47 47 VAL HG13 H 1 0.878 0.006 . 1 . . . A 47 VAL HG13 . 25008 1 364 . 1 1 47 47 VAL HG21 H 1 0.892 0.000 . 1 . . . A 47 VAL HG21 . 25008 1 365 . 1 1 47 47 VAL HG22 H 1 0.892 0.000 . 1 . . . A 47 VAL HG22 . 25008 1 366 . 1 1 47 47 VAL HG23 H 1 0.892 0.000 . 1 . . . A 47 VAL HG23 . 25008 1 367 . 1 1 47 47 VAL CG1 C 13 21.873 0.000 . 1 . . . A 47 VAL CG1 . 25008 1 368 . 1 1 47 47 VAL CG2 C 13 22.540 0.000 . 1 . . . A 47 VAL CG2 . 25008 1 369 . 1 1 47 47 VAL N N 15 124.308 0.036 . 1 . . . A 47 VAL N . 25008 1 370 . 1 1 48 48 GLN H H 1 9.746 0.002 . 1 . . . A 48 GLN H . 25008 1 371 . 1 1 48 48 GLN HA H 1 4.311 0.004 . 1 . . . A 48 GLN HA . 25008 1 372 . 1 1 48 48 GLN HB2 H 1 2.054 0.002 . 2 . . . A 48 GLN HB2 . 25008 1 373 . 1 1 48 48 GLN HB3 H 1 1.872 0.004 . 2 . . . A 48 GLN HB3 . 25008 1 374 . 1 1 48 48 GLN HG3 H 1 2.396 0.001 . 2 . . . A 48 GLN HG3 . 25008 1 375 . 1 1 48 48 GLN HE21 H 1 6.784 0.000 . 2 . . . A 48 GLN HE21 . 25008 1 376 . 1 1 48 48 GLN HE22 H 1 7.490 0.001 . 2 . . . A 48 GLN HE22 . 25008 1 377 . 1 1 48 48 GLN N N 15 126.687 0.003 . 1 . . . A 48 GLN N . 25008 1 378 . 1 1 48 48 GLN NE2 N 15 111.057 0.022 . 1 . . . A 48 GLN NE2 . 25008 1 379 . 1 1 49 49 ARG H H 1 7.781 0.002 . 1 . . . A 49 ARG H . 25008 1 380 . 1 1 49 49 ARG HA H 1 4.577 0.001 . 1 . . . A 49 ARG HA . 25008 1 381 . 1 1 49 49 ARG HB2 H 1 1.946 0.015 . 2 . . . A 49 ARG HB2 . 25008 1 382 . 1 1 49 49 ARG HB3 H 1 1.701 0.007 . 2 . . . A 49 ARG HB3 . 25008 1 383 . 1 1 49 49 ARG HG2 H 1 1.336 0.002 . 2 . . . A 49 ARG HG2 . 25008 1 384 . 1 1 49 49 ARG HG3 H 1 1.234 0.000 . 2 . . . A 49 ARG HG3 . 25008 1 385 . 1 1 49 49 ARG HD2 H 1 3.193 0.000 . 2 . . . A 49 ARG HD2 . 25008 1 386 . 1 1 49 49 ARG HD3 H 1 3.118 0.000 . 2 . . . A 49 ARG HD3 . 25008 1 387 . 1 1 49 49 ARG N N 15 114.333 0.007 . 1 . . . A 49 ARG N . 25008 1 388 . 1 1 50 50 ILE H H 1 8.429 0.004 . 1 . . . A 50 ILE H . 25008 1 389 . 1 1 50 50 ILE HA H 1 4.811 0.005 . 1 . . . A 50 ILE HA . 25008 1 390 . 1 1 50 50 ILE HB H 1 1.608 0.003 . 1 . . . A 50 ILE HB . 25008 1 391 . 1 1 50 50 ILE HG12 H 1 1.444 0.007 . 2 . . . A 50 ILE HG12 . 25008 1 392 . 1 1 50 50 ILE HG13 H 1 1.077 0.003 . 2 . . . A 50 ILE HG13 . 25008 1 393 . 1 1 50 50 ILE HG21 H 1 0.706 0.006 . 1 . . . A 50 ILE HG21 . 25008 1 394 . 1 1 50 50 ILE HG22 H 1 0.706 0.006 . 1 . . . A 50 ILE HG22 . 25008 1 395 . 1 1 50 50 ILE HG23 H 1 0.706 0.006 . 1 . . . A 50 ILE HG23 . 25008 1 396 . 1 1 50 50 ILE HD11 H 1 0.700 0.005 . 1 . . . A 50 ILE HD11 . 25008 1 397 . 1 1 50 50 ILE HD12 H 1 0.700 0.005 . 1 . . . A 50 ILE HD12 . 25008 1 398 . 1 1 50 50 ILE HD13 H 1 0.700 0.005 . 1 . . . A 50 ILE HD13 . 25008 1 399 . 1 1 50 50 ILE CG2 C 13 17.833 0.088 . 1 . . . A 50 ILE CG2 . 25008 1 400 . 1 1 50 50 ILE CD1 C 13 15.013 0.084 . 1 . . . A 50 ILE CD1 . 25008 1 401 . 1 1 50 50 ILE N N 15 119.290 0.025 . 1 . . . A 50 ILE N . 25008 1 402 . 1 1 51 51 GLU H H 1 9.404 0.003 . 1 . . . A 51 GLU H . 25008 1 403 . 1 1 51 51 GLU HA H 1 4.649 0.001 . 1 . . . A 51 GLU HA . 25008 1 404 . 1 1 51 51 GLU HB3 H 1 1.938 0.000 . 2 . . . A 51 GLU HB3 . 25008 1 405 . 1 1 51 51 GLU HG3 H 1 2.112 0.003 . 2 . . . A 51 GLU HG3 . 25008 1 406 . 1 1 51 51 GLU N N 15 127.647 0.024 . 1 . . . A 51 GLU N . 25008 1 407 . 1 1 52 52 GLN H H 1 8.856 0.003 . 1 . . . A 52 GLN H . 25008 1 408 . 1 1 52 52 GLN HA H 1 5.121 0.001 . 1 . . . A 52 GLN HA . 25008 1 409 . 1 1 52 52 GLN HB2 H 1 1.932 0.002 . 2 . . . A 52 GLN HB2 . 25008 1 410 . 1 1 52 52 GLN HB3 H 1 1.679 0.000 . 2 . . . A 52 GLN HB3 . 25008 1 411 . 1 1 52 52 GLN HG3 H 1 1.581 0.003 . 2 . . . A 52 GLN HG3 . 25008 1 412 . 1 1 52 52 GLN HE21 H 1 5.651 0.001 . 2 . . . A 52 GLN HE21 . 25008 1 413 . 1 1 52 52 GLN HE22 H 1 6.600 0.003 . 2 . . . A 52 GLN HE22 . 25008 1 414 . 1 1 52 52 GLN N N 15 124.651 0.008 . 1 . . . A 52 GLN N . 25008 1 415 . 1 1 52 52 GLN NE2 N 15 109.676 0.185 . 1 . . . A 52 GLN NE2 . 25008 1 416 . 1 1 53 53 CYS H H 1 8.600 0.004 . 1 . . . A 53 CYS H . 25008 1 417 . 1 1 53 53 CYS HA H 1 5.036 0.010 . 1 . . . A 53 CYS HA . 25008 1 418 . 1 1 53 53 CYS HB2 H 1 2.926 0.002 . 2 . . . A 53 CYS HB2 . 25008 1 419 . 1 1 53 53 CYS HB3 H 1 2.464 0.002 . 2 . . . A 53 CYS HB3 . 25008 1 420 . 1 1 53 53 CYS N N 15 123.201 0.007 . 1 . . . A 53 CYS N . 25008 1 421 . 1 1 54 54 THR H H 1 8.496 0.005 . 1 . . . A 54 THR H . 25008 1 422 . 1 1 54 54 THR HA H 1 4.688 0.003 . 1 . . . A 54 THR HA . 25008 1 423 . 1 1 54 54 THR HB H 1 4.361 0.003 . 1 . . . A 54 THR HB . 25008 1 424 . 1 1 54 54 THR HG21 H 1 1.273 0.005 . 1 . . . A 54 THR HG21 . 25008 1 425 . 1 1 54 54 THR HG22 H 1 1.273 0.005 . 1 . . . A 54 THR HG22 . 25008 1 426 . 1 1 54 54 THR HG23 H 1 1.273 0.005 . 1 . . . A 54 THR HG23 . 25008 1 427 . 1 1 54 54 THR CG2 C 13 22.127 0.088 . 1 . . . A 54 THR CG2 . 25008 1 428 . 1 1 54 54 THR N N 15 114.463 0.030 . 1 . . . A 54 THR N . 25008 1 429 . 1 1 55 55 ARG H H 1 8.652 0.006 . 1 . . . A 55 ARG H . 25008 1 430 . 1 1 55 55 ARG HA H 1 4.023 0.006 . 1 . . . A 55 ARG HA . 25008 1 431 . 1 1 55 55 ARG HB2 H 1 1.923 0.002 . 2 . . . A 55 ARG HB2 . 25008 1 432 . 1 1 55 55 ARG HB3 H 1 1.840 0.001 . 2 . . . A 55 ARG HB3 . 25008 1 433 . 1 1 55 55 ARG HG2 H 1 1.728 0.000 . 2 . . . A 55 ARG HG2 . 25008 1 434 . 1 1 55 55 ARG HG3 H 1 1.631 0.000 . 2 . . . A 55 ARG HG3 . 25008 1 435 . 1 1 55 55 ARG HD3 H 1 3.196 0.000 . 2 . . . A 55 ARG HD3 . 25008 1 436 . 1 1 55 55 ARG CA C 13 58.690 0.000 . 1 . . . A 55 ARG CA . 25008 1 437 . 1 1 55 55 ARG N N 15 122.555 0.012 . 1 . . . A 55 ARG N . 25008 1 438 . 1 1 56 56 GLY H H 1 8.752 0.002 . 1 . . . A 56 GLY H . 25008 1 439 . 1 1 56 56 GLY HA2 H 1 4.181 0.008 . 2 . . . A 56 GLY HA2 . 25008 1 440 . 1 1 56 56 GLY HA3 H 1 3.740 0.002 . 2 . . . A 56 GLY HA3 . 25008 1 441 . 1 1 56 56 GLY N N 15 111.748 0.000 . 1 . . . A 56 GLY N . 25008 1 442 . 1 1 57 57 SER H H 1 7.669 0.002 . 1 . . . A 57 SER H . 25008 1 443 . 1 1 57 57 SER HA H 1 4.401 0.001 . 1 . . . A 57 SER HA . 25008 1 444 . 1 1 57 57 SER HB3 H 1 3.851 0.008 . 2 . . . A 57 SER HB3 . 25008 1 445 . 1 1 57 57 SER CB C 13 64.887 0.000 . 1 . . . A 57 SER CB . 25008 1 446 . 1 1 57 57 SER N N 15 113.654 0.022 . 1 . . . A 57 SER N . 25008 1 447 . 1 1 58 58 LEU H H 1 6.986 0.002 . 1 . . . A 58 LEU H . 25008 1 448 . 1 1 58 58 LEU HA H 1 4.802 0.004 . 1 . . . A 58 LEU HA . 25008 1 449 . 1 1 58 58 LEU HB2 H 1 1.131 0.005 . 2 . . . A 58 LEU HB2 . 25008 1 450 . 1 1 58 58 LEU HB3 H 1 0.867 0.011 . 2 . . . A 58 LEU HB3 . 25008 1 451 . 1 1 58 58 LEU HG H 1 1.045 0.014 . 1 . . . A 58 LEU HG . 25008 1 452 . 1 1 58 58 LEU HD11 H 1 -0.014 0.003 . 1 . . . A 58 LEU HD11 . 25008 1 453 . 1 1 58 58 LEU HD12 H 1 -0.014 0.003 . 1 . . . A 58 LEU HD12 . 25008 1 454 . 1 1 58 58 LEU HD13 H 1 -0.014 0.003 . 1 . . . A 58 LEU HD13 . 25008 1 455 . 1 1 58 58 LEU HD21 H 1 0.366 0.005 . 1 . . . A 58 LEU HD21 . 25008 1 456 . 1 1 58 58 LEU HD22 H 1 0.366 0.005 . 1 . . . A 58 LEU HD22 . 25008 1 457 . 1 1 58 58 LEU HD23 H 1 0.366 0.005 . 1 . . . A 58 LEU HD23 . 25008 1 458 . 1 1 58 58 LEU CD1 C 13 25.230 0.088 . 1 . . . A 58 LEU CD1 . 25008 1 459 . 1 1 58 58 LEU CD2 C 13 23.925 0.000 . 1 . . . A 58 LEU CD2 . 25008 1 460 . 1 1 58 58 LEU N N 15 117.584 0.012 . 1 . . . A 58 LEU N . 25008 1 461 . 1 1 59 59 PHE H H 1 8.980 0.003 . 1 . . . A 59 PHE H . 25008 1 462 . 1 1 59 59 PHE HA H 1 4.448 0.003 . 1 . . . A 59 PHE HA . 25008 1 463 . 1 1 59 59 PHE HB2 H 1 2.889 0.005 . 2 . . . A 59 PHE HB2 . 25008 1 464 . 1 1 59 59 PHE HB3 H 1 2.579 0.001 . 2 . . . A 59 PHE HB3 . 25008 1 465 . 1 1 59 59 PHE HD2 H 1 7.064 0.007 . 3 . . . A 59 PHE HD2 . 25008 1 466 . 1 1 59 59 PHE HE1 H 1 7.203 0.000 . 3 . . . A 59 PHE HE1 . 25008 1 467 . 1 1 59 59 PHE N N 15 121.892 0.010 . 1 . . . A 59 PHE N . 25008 1 468 . 1 1 60 60 MET H H 1 8.985 0.006 . 1 . . . A 60 MET H . 25008 1 469 . 1 1 60 60 MET HA H 1 4.705 0.006 . 1 . . . A 60 MET HA . 25008 1 470 . 1 1 60 60 MET HB2 H 1 1.897 0.008 . 2 . . . A 60 MET HB2 . 25008 1 471 . 1 1 60 60 MET HB3 H 1 1.475 0.000 . 2 . . . A 60 MET HB3 . 25008 1 472 . 1 1 60 60 MET HG2 H 1 2.252 0.005 . 2 . . . A 60 MET HG2 . 25008 1 473 . 1 1 60 60 MET HG3 H 1 2.067 0.001 . 2 . . . A 60 MET HG3 . 25008 1 474 . 1 1 60 60 MET HE1 H 1 1.570 0.005 . 1 . . . A 60 MET HE1 . 25008 1 475 . 1 1 60 60 MET HE2 H 1 1.570 0.005 . 1 . . . A 60 MET HE2 . 25008 1 476 . 1 1 60 60 MET HE3 H 1 1.570 0.005 . 1 . . . A 60 MET HE3 . 25008 1 477 . 1 1 60 60 MET CA C 13 54.738 0.000 . 1 . . . A 60 MET CA . 25008 1 478 . 1 1 60 60 MET CB C 13 35.571 0.000 . 1 . . . A 60 MET CB . 25008 1 479 . 1 1 60 60 MET CE C 13 16.146 0.086 . 1 . . . A 60 MET CE . 25008 1 480 . 1 1 60 60 MET N N 15 125.165 0.010 . 1 . . . A 60 MET N . 25008 1 481 . 1 1 61 61 CYS H H 1 8.981 0.003 . 1 . . . A 61 CYS H . 25008 1 482 . 1 1 61 61 CYS HA H 1 4.366 0.005 . 1 . . . A 61 CYS HA . 25008 1 483 . 1 1 61 61 CYS HB2 H 1 3.279 0.001 . 2 . . . A 61 CYS HB2 . 25008 1 484 . 1 1 61 61 CYS HB3 H 1 2.773 0.005 . 2 . . . A 61 CYS HB3 . 25008 1 485 . 1 1 61 61 CYS CA C 13 62.054 0.060 . 1 . . . A 61 CYS CA . 25008 1 486 . 1 1 61 61 CYS CB C 13 29.410 0.000 . 1 . . . A 61 CYS CB . 25008 1 487 . 1 1 61 61 CYS N N 15 129.989 0.029 . 1 . . . A 61 CYS N . 25008 1 488 . 1 1 62 62 SER H H 1 8.749 0.004 . 1 . . . A 62 SER H . 25008 1 489 . 1 1 62 62 SER HA H 1 4.846 0.000 . 1 . . . A 62 SER HA . 25008 1 490 . 1 1 62 62 SER N N 15 124.327 0.093 . 1 . . . A 62 SER N . 25008 1 491 . 1 1 63 63 ILE H H 1 8.160 0.006 . 1 . . . A 63 ILE H . 25008 1 492 . 1 1 63 63 ILE HA H 1 3.962 0.000 . 1 . . . A 63 ILE HA . 25008 1 493 . 1 1 63 63 ILE HB H 1 1.685 0.000 . 1 . . . A 63 ILE HB . 25008 1 494 . 1 1 63 63 ILE HG12 H 1 1.615 0.000 . 2 . . . A 63 ILE HG12 . 25008 1 495 . 1 1 63 63 ILE HG13 H 1 1.349 0.000 . 2 . . . A 63 ILE HG13 . 25008 1 496 . 1 1 63 63 ILE HG21 H 1 0.824 0.003 . 1 . . . A 63 ILE HG21 . 25008 1 497 . 1 1 63 63 ILE HG22 H 1 0.824 0.003 . 1 . . . A 63 ILE HG22 . 25008 1 498 . 1 1 63 63 ILE HG23 H 1 0.824 0.003 . 1 . . . A 63 ILE HG23 . 25008 1 499 . 1 1 63 63 ILE HD11 H 1 0.829 0.003 . 1 . . . A 63 ILE HD11 . 25008 1 500 . 1 1 63 63 ILE HD12 H 1 0.829 0.003 . 1 . . . A 63 ILE HD12 . 25008 1 501 . 1 1 63 63 ILE HD13 H 1 0.829 0.003 . 1 . . . A 63 ILE HD13 . 25008 1 502 . 1 1 63 63 ILE CG2 C 13 18.530 0.000 . 1 . . . A 63 ILE CG2 . 25008 1 503 . 1 1 63 63 ILE CD1 C 13 11.725 0.108 . 1 . . . A 63 ILE CD1 . 25008 1 504 . 1 1 63 63 ILE N N 15 123.145 0.021 . 1 . . . A 63 ILE N . 25008 1 505 . 1 1 64 64 VAL HG11 H 1 0.467 0.006 . 1 . . . A 64 VAL HG11 . 25008 1 506 . 1 1 64 64 VAL HG12 H 1 0.467 0.006 . 1 . . . A 64 VAL HG12 . 25008 1 507 . 1 1 64 64 VAL HG13 H 1 0.467 0.006 . 1 . . . A 64 VAL HG13 . 25008 1 508 . 1 1 64 64 VAL HG21 H 1 0.758 0.001 . 1 . . . A 64 VAL HG21 . 25008 1 509 . 1 1 64 64 VAL HG22 H 1 0.758 0.001 . 1 . . . A 64 VAL HG22 . 25008 1 510 . 1 1 64 64 VAL HG23 H 1 0.758 0.001 . 1 . . . A 64 VAL HG23 . 25008 1 511 . 1 1 64 64 VAL CG1 C 13 20.183 0.000 . 1 . . . A 64 VAL CG1 . 25008 1 512 . 1 1 64 64 VAL CG2 C 13 21.643 0.000 . 1 . . . A 64 VAL CG2 . 25008 1 513 . 1 1 65 65 GLN HA H 1 4.034 0.001 . 1 . . . A 65 GLN HA . 25008 1 514 . 1 1 65 65 GLN HE21 H 1 6.851 0.006 . 2 . . . A 65 GLN HE21 . 25008 1 515 . 1 1 65 65 GLN HE22 H 1 7.524 0.000 . 2 . . . A 65 GLN HE22 . 25008 1 516 . 1 1 65 65 GLN NE2 N 15 112.374 0.034 . 1 . . . A 65 GLN NE2 . 25008 1 517 . 1 1 66 66 GLY H H 1 8.599 0.007 . 1 . . . A 66 GLY H . 25008 1 518 . 1 1 66 66 GLY HA2 H 1 3.919 0.004 . 2 . . . A 66 GLY HA2 . 25008 1 519 . 1 1 66 66 GLY HA3 H 1 3.846 0.010 . 2 . . . A 66 GLY HA3 . 25008 1 520 . 1 1 66 66 GLY N N 15 107.573 0.009 . 1 . . . A 66 GLY N . 25008 1 521 . 1 1 67 67 CYS H H 1 7.586 0.004 . 1 . . . A 67 CYS H . 25008 1 522 . 1 1 67 67 CYS HA H 1 4.627 0.004 . 1 . . . A 67 CYS HA . 25008 1 523 . 1 1 67 67 CYS HB2 H 1 3.163 0.005 . 2 . . . A 67 CYS HB2 . 25008 1 524 . 1 1 67 67 CYS HB3 H 1 2.888 0.003 . 2 . . . A 67 CYS HB3 . 25008 1 525 . 1 1 67 67 CYS N N 15 122.673 0.010 . 1 . . . A 67 CYS N . 25008 1 526 . 1 1 68 68 LYS H H 1 8.470 0.014 . 1 . . . A 68 LYS H . 25008 1 527 . 1 1 68 68 LYS HA H 1 4.355 0.000 . 1 . . . A 68 LYS HA . 25008 1 528 . 1 1 69 69 ARG H H 1 7.840 0.003 . 1 . . . A 69 ARG H . 25008 1 529 . 1 1 69 69 ARG HA H 1 3.782 0.000 . 1 . . . A 69 ARG HA . 25008 1 530 . 1 1 69 69 ARG HB2 H 1 1.363 0.005 . 2 . . . A 69 ARG HB2 . 25008 1 531 . 1 1 69 69 ARG HB3 H 1 1.269 0.005 . 2 . . . A 69 ARG HB3 . 25008 1 532 . 1 1 69 69 ARG HG2 H 1 1.931 0.000 . 2 . . . A 69 ARG HG2 . 25008 1 533 . 1 1 69 69 ARG HG3 H 1 1.592 0.000 . 2 . . . A 69 ARG HG3 . 25008 1 534 . 1 1 69 69 ARG N N 15 120.756 0.030 . 1 . . . A 69 ARG N . 25008 1 535 . 1 1 70 70 THR H H 1 7.304 0.003 . 1 . . . A 70 THR H . 25008 1 536 . 1 1 70 70 THR HA H 1 5.153 0.002 . 1 . . . A 70 THR HA . 25008 1 537 . 1 1 70 70 THR HB H 1 3.659 0.008 . 1 . . . A 70 THR HB . 25008 1 538 . 1 1 70 70 THR HG21 H 1 0.992 0.007 . 1 . . . A 70 THR HG21 . 25008 1 539 . 1 1 70 70 THR HG22 H 1 0.992 0.007 . 1 . . . A 70 THR HG22 . 25008 1 540 . 1 1 70 70 THR HG23 H 1 0.992 0.007 . 1 . . . A 70 THR HG23 . 25008 1 541 . 1 1 70 70 THR CG2 C 13 22.673 0.078 . 1 . . . A 70 THR CG2 . 25008 1 542 . 1 1 70 70 THR N N 15 109.114 0.015 . 1 . . . A 70 THR N . 25008 1 543 . 1 1 71 71 TYR H H 1 8.709 0.002 . 1 . . . A 71 TYR H . 25008 1 544 . 1 1 71 71 TYR HA H 1 4.332 0.003 . 1 . . . A 71 TYR HA . 25008 1 545 . 1 1 71 71 TYR HB2 H 1 3.294 0.005 . 2 . . . A 71 TYR HB2 . 25008 1 546 . 1 1 71 71 TYR HB3 H 1 2.542 0.002 . 2 . . . A 71 TYR HB3 . 25008 1 547 . 1 1 71 71 TYR HD2 H 1 6.961 0.003 . 3 . . . A 71 TYR HD2 . 25008 1 548 . 1 1 71 71 TYR N N 15 118.532 0.009 . 1 . . . A 71 TYR N . 25008 1 549 . 1 1 72 72 LEU H H 1 9.603 0.003 . 1 . . . A 72 LEU H . 25008 1 550 . 1 1 72 72 LEU HA H 1 4.939 0.003 . 1 . . . A 72 LEU HA . 25008 1 551 . 1 1 72 72 LEU HB2 H 1 1.890 0.005 . 2 . . . A 72 LEU HB2 . 25008 1 552 . 1 1 72 72 LEU HB3 H 1 1.791 0.003 . 2 . . . A 72 LEU HB3 . 25008 1 553 . 1 1 72 72 LEU HG H 1 1.522 0.002 . 1 . . . A 72 LEU HG . 25008 1 554 . 1 1 72 72 LEU HD11 H 1 0.757 0.004 . 1 . . . A 72 LEU HD11 . 25008 1 555 . 1 1 72 72 LEU HD12 H 1 0.757 0.004 . 1 . . . A 72 LEU HD12 . 25008 1 556 . 1 1 72 72 LEU HD13 H 1 0.757 0.004 . 1 . . . A 72 LEU HD13 . 25008 1 557 . 1 1 72 72 LEU HD21 H 1 0.927 0.002 . 1 . . . A 72 LEU HD21 . 25008 1 558 . 1 1 72 72 LEU HD22 H 1 0.927 0.002 . 1 . . . A 72 LEU HD22 . 25008 1 559 . 1 1 72 72 LEU HD23 H 1 0.927 0.002 . 1 . . . A 72 LEU HD23 . 25008 1 560 . 1 1 72 72 LEU CD1 C 13 22.540 0.139 . 1 . . . A 72 LEU CD1 . 25008 1 561 . 1 1 72 72 LEU CD2 C 13 25.536 0.000 . 1 . . . A 72 LEU CD2 . 25008 1 562 . 1 1 72 72 LEU N N 15 119.755 0.006 . 1 . . . A 72 LEU N . 25008 1 563 . 1 1 73 73 SER H H 1 7.419 0.002 . 1 . . . A 73 SER H . 25008 1 564 . 1 1 73 73 SER HA H 1 4.325 0.000 . 1 . . . A 73 SER HA . 25008 1 565 . 1 1 73 73 SER HB2 H 1 3.938 0.001 . 2 . . . A 73 SER HB2 . 25008 1 566 . 1 1 73 73 SER HB3 H 1 3.857 0.002 . 2 . . . A 73 SER HB3 . 25008 1 567 . 1 1 73 73 SER N N 15 109.858 0.081 . 1 . . . A 73 SER N . 25008 1 568 . 1 1 74 74 GLN H H 1 8.338 0.005 . 1 . . . A 74 GLN H . 25008 1 569 . 1 1 74 74 GLN HA H 1 3.320 0.005 . 1 . . . A 74 GLN HA . 25008 1 570 . 1 1 74 74 GLN HB2 H 1 1.704 0.000 . 2 . . . A 74 GLN HB2 . 25008 1 571 . 1 1 74 74 GLN HB3 H 1 1.646 0.000 . 2 . . . A 74 GLN HB3 . 25008 1 572 . 1 1 74 74 GLN HG3 H 1 2.022 0.002 . 2 . . . A 74 GLN HG3 . 25008 1 573 . 1 1 74 74 GLN HE22 H 1 7.206 0.000 . 2 . . . A 74 GLN HE22 . 25008 1 574 . 1 1 74 74 GLN N N 15 123.286 0.021 . 1 . . . A 74 GLN N . 25008 1 575 . 1 1 74 74 GLN NE2 N 15 111.115 0.000 . 1 . . . A 74 GLN NE2 . 25008 1 576 . 1 1 75 75 ARG H H 1 8.166 0.002 . 1 . . . A 75 ARG H . 25008 1 577 . 1 1 75 75 ARG HA H 1 3.910 0.004 . 1 . . . A 75 ARG HA . 25008 1 578 . 1 1 75 75 ARG HB2 H 1 1.758 0.018 . 2 . . . A 75 ARG HB2 . 25008 1 579 . 1 1 75 75 ARG HB3 H 1 1.637 0.004 . 2 . . . A 75 ARG HB3 . 25008 1 580 . 1 1 75 75 ARG HG3 H 1 1.504 0.007 . 2 . . . A 75 ARG HG3 . 25008 1 581 . 1 1 75 75 ARG HD2 H 1 3.107 0.001 . 1 . . . A 75 ARG HD2 . 25008 1 582 . 1 1 75 75 ARG N N 15 119.374 0.037 . 1 . . . A 75 ARG N . 25008 1 583 . 1 1 76 76 ASP H H 1 7.751 0.002 . 1 . . . A 76 ASP H . 25008 1 584 . 1 1 76 76 ASP HA H 1 4.282 0.004 . 1 . . . A 76 ASP HA . 25008 1 585 . 1 1 76 76 ASP HB2 H 1 2.830 0.003 . 2 . . . A 76 ASP HB2 . 25008 1 586 . 1 1 76 76 ASP HB3 H 1 2.724 0.006 . 2 . . . A 76 ASP HB3 . 25008 1 587 . 1 1 76 76 ASP N N 15 121.109 0.037 . 1 . . . A 76 ASP N . 25008 1 588 . 1 1 77 77 LEU H H 1 7.420 0.002 . 1 . . . A 77 LEU H . 25008 1 589 . 1 1 77 77 LEU HA H 1 3.467 0.002 . 1 . . . A 77 LEU HA . 25008 1 590 . 1 1 77 77 LEU HB2 H 1 1.912 0.007 . 2 . . . A 77 LEU HB2 . 25008 1 591 . 1 1 77 77 LEU HB3 H 1 1.343 0.001 . 2 . . . A 77 LEU HB3 . 25008 1 592 . 1 1 77 77 LEU HG H 1 1.534 0.003 . 1 . . . A 77 LEU HG . 25008 1 593 . 1 1 77 77 LEU HD11 H 1 0.990 0.008 . 1 . . . A 77 LEU HD11 . 25008 1 594 . 1 1 77 77 LEU HD12 H 1 0.990 0.008 . 1 . . . A 77 LEU HD12 . 25008 1 595 . 1 1 77 77 LEU HD13 H 1 0.990 0.008 . 1 . . . A 77 LEU HD13 . 25008 1 596 . 1 1 77 77 LEU HD21 H 1 1.052 0.013 . 1 . . . A 77 LEU HD21 . 25008 1 597 . 1 1 77 77 LEU HD22 H 1 1.052 0.013 . 1 . . . A 77 LEU HD22 . 25008 1 598 . 1 1 77 77 LEU HD23 H 1 1.052 0.013 . 1 . . . A 77 LEU HD23 . 25008 1 599 . 1 1 77 77 LEU CG C 13 27.515 0.000 . 1 . . . A 77 LEU CG . 25008 1 600 . 1 1 77 77 LEU CD1 C 13 26.793 0.106 . 1 . . . A 77 LEU CD1 . 25008 1 601 . 1 1 77 77 LEU CD2 C 13 22.715 0.093 . 1 . . . A 77 LEU CD2 . 25008 1 602 . 1 1 77 77 LEU N N 15 122.814 0.068 . 1 . . . A 77 LEU N . 25008 1 603 . 1 1 78 78 GLN H H 1 8.572 0.002 . 1 . . . A 78 GLN H . 25008 1 604 . 1 1 78 78 GLN HA H 1 3.755 0.002 . 1 . . . A 78 GLN HA . 25008 1 605 . 1 1 78 78 GLN HB2 H 1 2.090 0.006 . 2 . . . A 78 GLN HB2 . 25008 1 606 . 1 1 78 78 GLN HB3 H 1 2.000 0.006 . 2 . . . A 78 GLN HB3 . 25008 1 607 . 1 1 78 78 GLN HG3 H 1 2.339 0.002 . 2 . . . A 78 GLN HG3 . 25008 1 608 . 1 1 78 78 GLN HE21 H 1 6.859 0.000 . 2 . . . A 78 GLN HE21 . 25008 1 609 . 1 1 78 78 GLN HE22 H 1 7.300 0.000 . 2 . . . A 78 GLN HE22 . 25008 1 610 . 1 1 78 78 GLN N N 15 118.892 0.024 . 1 . . . A 78 GLN N . 25008 1 611 . 1 1 78 78 GLN NE2 N 15 113.083 0.003 . 1 . . . A 78 GLN NE2 . 25008 1 612 . 1 1 79 79 ALA H H 1 7.831 0.003 . 1 . . . A 79 ALA H . 25008 1 613 . 1 1 79 79 ALA HA H 1 4.026 0.003 . 1 . . . A 79 ALA HA . 25008 1 614 . 1 1 79 79 ALA HB1 H 1 1.400 0.007 . 1 . . . A 79 ALA HB1 . 25008 1 615 . 1 1 79 79 ALA HB2 H 1 1.400 0.007 . 1 . . . A 79 ALA HB2 . 25008 1 616 . 1 1 79 79 ALA HB3 H 1 1.400 0.007 . 1 . . . A 79 ALA HB3 . 25008 1 617 . 1 1 79 79 ALA CB C 13 17.935 0.000 . 1 . . . A 79 ALA CB . 25008 1 618 . 1 1 79 79 ALA N N 15 121.251 0.009 . 1 . . . A 79 ALA N . 25008 1 619 . 1 1 80 80 HIS H H 1 7.323 0.002 . 1 . . . A 80 HIS H . 25008 1 620 . 1 1 80 80 HIS HA H 1 4.477 0.003 . 1 . . . A 80 HIS HA . 25008 1 621 . 1 1 80 80 HIS HB2 H 1 3.089 0.005 . 2 . . . A 80 HIS HB2 . 25008 1 622 . 1 1 80 80 HIS HB3 H 1 2.822 0.006 . 2 . . . A 80 HIS HB3 . 25008 1 623 . 1 1 80 80 HIS HD2 H 1 7.027 0.009 . 1 . . . A 80 HIS HD2 . 25008 1 624 . 1 1 80 80 HIS CD2 C 13 127.312 0.025 . 1 . . . A 80 HIS CD2 . 25008 1 625 . 1 1 80 80 HIS N N 15 119.414 0.042 . 1 . . . A 80 HIS N . 25008 1 626 . 1 1 81 81 ILE H H 1 8.589 0.001 . 1 . . . A 81 ILE H . 25008 1 627 . 1 1 81 81 ILE HA H 1 3.193 0.003 . 1 . . . A 81 ILE HA . 25008 1 628 . 1 1 81 81 ILE HB H 1 1.857 0.000 . 1 . . . A 81 ILE HB . 25008 1 629 . 1 1 81 81 ILE HG12 H 1 2.105 0.004 . 2 . . . A 81 ILE HG12 . 25008 1 630 . 1 1 81 81 ILE HG13 H 1 1.299 0.000 . 2 . . . A 81 ILE HG13 . 25008 1 631 . 1 1 81 81 ILE HG21 H 1 0.941 0.008 . 1 . . . A 81 ILE HG21 . 25008 1 632 . 1 1 81 81 ILE HG22 H 1 0.941 0.008 . 1 . . . A 81 ILE HG22 . 25008 1 633 . 1 1 81 81 ILE HG23 H 1 0.941 0.008 . 1 . . . A 81 ILE HG23 . 25008 1 634 . 1 1 81 81 ILE HD11 H 1 0.966 0.002 . 1 . . . A 81 ILE HD11 . 25008 1 635 . 1 1 81 81 ILE HD12 H 1 0.966 0.002 . 1 . . . A 81 ILE HD12 . 25008 1 636 . 1 1 81 81 ILE HD13 H 1 0.966 0.002 . 1 . . . A 81 ILE HD13 . 25008 1 637 . 1 1 81 81 ILE CG2 C 13 17.715 0.000 . 1 . . . A 81 ILE CG2 . 25008 1 638 . 1 1 81 81 ILE CD1 C 13 14.287 0.064 . 1 . . . A 81 ILE CD1 . 25008 1 639 . 1 1 81 81 ILE N N 15 121.812 0.005 . 1 . . . A 81 ILE N . 25008 1 640 . 1 1 82 82 ASN H H 1 8.279 0.003 . 1 . . . A 82 ASN H . 25008 1 641 . 1 1 82 82 ASN HA H 1 4.329 0.003 . 1 . . . A 82 ASN HA . 25008 1 642 . 1 1 82 82 ASN HB3 H 1 2.725 0.003 . 2 . . . A 82 ASN HB3 . 25008 1 643 . 1 1 82 82 ASN HD21 H 1 6.880 0.002 . 2 . . . A 82 ASN HD21 . 25008 1 644 . 1 1 82 82 ASN HD22 H 1 7.412 0.003 . 2 . . . A 82 ASN HD22 . 25008 1 645 . 1 1 82 82 ASN N N 15 117.184 0.036 . 1 . . . A 82 ASN N . 25008 1 646 . 1 1 82 82 ASN ND2 N 15 110.896 0.222 . 1 . . . A 82 ASN ND2 . 25008 1 647 . 1 1 83 83 HIS H H 1 7.803 0.004 . 1 . . . A 83 HIS H . 25008 1 648 . 1 1 83 83 HIS HA H 1 4.597 0.002 . 1 . . . A 83 HIS HA . 25008 1 649 . 1 1 83 83 HIS HB3 H 1 3.186 0.004 . 2 . . . A 83 HIS HB3 . 25008 1 650 . 1 1 83 83 HIS HD2 H 1 6.910 0.281 . 1 . . . A 83 HIS HD2 . 25008 1 651 . 1 1 83 83 HIS CD2 C 13 127.936 0.000 . 1 . . . A 83 HIS CD2 . 25008 1 652 . 1 1 83 83 HIS N N 15 115.810 0.031 . 1 . . . A 83 HIS N . 25008 1 653 . 1 1 84 84 ARG H H 1 8.332 0.003 . 1 . . . A 84 ARG H . 25008 1 654 . 1 1 84 84 ARG HA H 1 4.072 0.001 . 1 . . . A 84 ARG HA . 25008 1 655 . 1 1 84 84 ARG HB2 H 1 1.137 0.004 . 2 . . . A 84 ARG HB2 . 25008 1 656 . 1 1 84 84 ARG HB3 H 1 0.417 0.003 . 2 . . . A 84 ARG HB3 . 25008 1 657 . 1 1 84 84 ARG HG3 H 1 1.473 0.001 . 2 . . . A 84 ARG HG3 . 25008 1 658 . 1 1 84 84 ARG HD2 H 1 2.804 0.000 . 2 . . . A 84 ARG HD2 . 25008 1 659 . 1 1 84 84 ARG HD3 H 1 2.569 0.003 . 2 . . . A 84 ARG HD3 . 25008 1 660 . 1 1 84 84 ARG N N 15 112.636 0.086 . 1 . . . A 84 ARG N . 25008 1 661 . 1 1 85 85 HIS H H 1 7.874 0.004 . 1 . . . A 85 HIS H . 25008 1 662 . 1 1 85 85 HIS HA H 1 5.219 0.005 . 1 . . . A 85 HIS HA . 25008 1 663 . 1 1 85 85 HIS HB2 H 1 3.200 0.001 . 2 . . . A 85 HIS HB2 . 25008 1 664 . 1 1 85 85 HIS HB3 H 1 3.053 0.003 . 2 . . . A 85 HIS HB3 . 25008 1 665 . 1 1 85 85 HIS HD2 H 1 6.498 0.000 . 1 . . . A 85 HIS HD2 . 25008 1 666 . 1 1 85 85 HIS N N 15 114.050 0.102 . 1 . . . A 85 HIS N . 25008 1 667 . 1 1 86 86 MET H H 1 7.703 0.005 . 1 . . . A 86 MET H . 25008 1 668 . 1 1 86 86 MET HA H 1 4.575 0.006 . 1 . . . A 86 MET HA . 25008 1 669 . 1 1 86 86 MET HB3 H 1 2.095 0.002 . 2 . . . A 86 MET HB3 . 25008 1 670 . 1 1 86 86 MET HG2 H 1 2.600 0.008 . 2 . . . A 86 MET HG2 . 25008 1 671 . 1 1 86 86 MET HG3 H 1 2.480 0.003 . 2 . . . A 86 MET HG3 . 25008 1 672 . 1 1 86 86 MET HE1 H 1 2.009 0.000 . 1 . . . A 86 MET HE1 . 25008 1 673 . 1 1 86 86 MET HE2 H 1 2.009 0.000 . 1 . . . A 86 MET HE2 . 25008 1 674 . 1 1 86 86 MET HE3 H 1 2.009 0.000 . 1 . . . A 86 MET HE3 . 25008 1 675 . 1 1 86 86 MET CE C 13 17.339 0.000 . 1 . . . A 86 MET CE . 25008 1 676 . 1 1 86 86 MET N N 15 118.908 0.008 . 1 . . . A 86 MET N . 25008 1 677 . 1 1 87 87 ARG H H 1 8.129 0.007 . 1 . . . A 87 ARG H . 25008 1 678 . 1 1 87 87 ARG HA H 1 4.330 0.000 . 1 . . . A 87 ARG HA . 25008 1 679 . 1 1 87 87 ARG HB2 H 1 1.829 0.001 . 2 . . . A 87 ARG HB2 . 25008 1 680 . 1 1 87 87 ARG HB3 H 1 1.728 0.000 . 2 . . . A 87 ARG HB3 . 25008 1 681 . 1 1 87 87 ARG HG3 H 1 1.567 0.000 . 2 . . . A 87 ARG HG3 . 25008 1 682 . 1 1 87 87 ARG N N 15 121.346 0.008 . 1 . . . A 87 ARG N . 25008 1 683 . 1 1 88 88 ALA H H 1 8.325 0.004 . 1 . . . A 88 ALA H . 25008 1 684 . 1 1 88 88 ALA HA H 1 4.330 0.002 . 1 . . . A 88 ALA HA . 25008 1 685 . 1 1 88 88 ALA HB1 H 1 1.352 0.004 . 1 . . . A 88 ALA HB1 . 25008 1 686 . 1 1 88 88 ALA HB2 H 1 1.352 0.004 . 1 . . . A 88 ALA HB2 . 25008 1 687 . 1 1 88 88 ALA HB3 H 1 1.352 0.004 . 1 . . . A 88 ALA HB3 . 25008 1 688 . 1 1 88 88 ALA CB C 13 19.070 0.000 . 1 . . . A 88 ALA CB . 25008 1 689 . 1 1 88 88 ALA N N 15 126.172 0.035 . 1 . . . A 88 ALA N . 25008 1 690 . 1 1 89 89 GLY H H 1 7.896 0.002 . 1 . . . A 89 GLY H . 25008 1 691 . 1 1 89 89 GLY HA3 H 1 3.708 0.000 . 2 . . . A 89 GLY HA3 . 25008 1 692 . 1 1 89 89 GLY N N 15 114.781 0.029 . 1 . . . A 89 GLY N . 25008 1 stop_ save_