################################### # 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 16911 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 16911 1 2 '2D 1H-13C HSQC' . . . 16911 1 3 '3D CBCA(CO)NH' . . . 16911 1 4 '3D C(CO)NH' . . . 16911 1 5 '3D HNCO' . . . 16911 1 6 '3D HNCACB' . . . 16911 1 7 '3D H(CCO)NH' . . . 16911 1 8 '3D HCCH-COSY' . . . 16911 1 13 '3D HBHA(CO)NH' . . . 16911 1 14 '4D 13C-13C NOESY' . . . 16911 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 16911 1 2 $PIPP . . 16911 1 3 $Omega_Spectrometer_Operating_Software . . 16911 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 PRO HA H 1 4.47 0.02 . 1 . . . . 2 PRO HA . 16911 1 2 . 1 1 2 2 PRO HB2 H 1 1.94 0.02 . 1 . . . . 2 PRO HB2 . 16911 1 3 . 1 1 2 2 PRO HB3 H 1 2.31 0.02 . 1 . . . . 2 PRO HB3 . 16911 1 4 . 1 1 2 2 PRO HD2 H 1 3.55 0.02 . 2 . . . . 2 PRO HD# . 16911 1 5 . 1 1 2 2 PRO HD3 H 1 3.55 0.02 . 2 . . . . 2 PRO HD# . 16911 1 6 . 1 1 2 2 PRO HG2 H 1 2.00 0.02 . 2 . . . . 2 PRO HG# . 16911 1 7 . 1 1 2 2 PRO HG3 H 1 2.00 0.02 . 2 . . . . 2 PRO HG# . 16911 1 8 . 1 1 2 2 PRO C C 13 177.09 0.10 . 1 . . . . 2 PRO C . 16911 1 9 . 1 1 2 2 PRO CA C 13 63.16 0.10 . 1 . . . . 2 PRO CA . 16911 1 10 . 1 1 2 2 PRO CB C 13 32.33 0.10 . 1 . . . . 2 PRO CB . 16911 1 11 . 1 1 2 2 PRO CD C 13 49.65 0.10 . 1 . . . . 2 PRO CD . 16911 1 12 . 1 1 2 2 PRO CG C 13 27.07 0.10 . 1 . . . . 2 PRO CG . 16911 1 13 . 1 1 3 3 LEU H H 1 8.51 0.02 . 1 . . . . 3 LEU H . 16911 1 14 . 1 1 3 3 LEU HA H 1 4.36 0.02 . 1 . . . . 3 LEU HA . 16911 1 15 . 1 1 3 3 LEU HB2 H 1 1.61 0.02 . 1 . . . . 3 LEU HB2 . 16911 1 16 . 1 1 3 3 LEU HB3 H 1 1.67 0.02 . 1 . . . . 3 LEU HB3 . 16911 1 17 . 1 1 3 3 LEU HD11 H 1 0.93 0.02 . 1 . . . . 3 LEU HD1 . 16911 1 18 . 1 1 3 3 LEU HD12 H 1 0.93 0.02 . 1 . . . . 3 LEU HD1 . 16911 1 19 . 1 1 3 3 LEU HD13 H 1 0.93 0.02 . 1 . . . . 3 LEU HD1 . 16911 1 20 . 1 1 3 3 LEU HD21 H 1 0.89 0.02 . 1 . . . . 3 LEU HD2 . 16911 1 21 . 1 1 3 3 LEU HD22 H 1 0.89 0.02 . 1 . . . . 3 LEU HD2 . 16911 1 22 . 1 1 3 3 LEU HD23 H 1 0.89 0.02 . 1 . . . . 3 LEU HD2 . 16911 1 23 . 1 1 3 3 LEU HG H 1 1.66 0.02 . 1 . . . . 3 LEU HG . 16911 1 24 . 1 1 3 3 LEU C C 13 177.97 0.10 . 1 . . . . 3 LEU C . 16911 1 25 . 1 1 3 3 LEU CA C 13 55.45 0.10 . 1 . . . . 3 LEU CA . 16911 1 26 . 1 1 3 3 LEU CB C 13 42.28 0.10 . 1 . . . . 3 LEU CB . 16911 1 27 . 1 1 3 3 LEU CD1 C 13 24.91 0.10 . 1 . . . . 3 LEU CD1 . 16911 1 28 . 1 1 3 3 LEU CD2 C 13 23.55 0.10 . 1 . . . . 3 LEU CD2 . 16911 1 29 . 1 1 3 3 LEU CG C 13 27.06 0.10 . 1 . . . . 3 LEU CG . 16911 1 30 . 1 1 3 3 LEU N N 15 122.31 0.10 . 1 . . . . 3 LEU N . 16911 1 31 . 1 1 4 4 GLY H H 1 8.41 0.02 . 1 . . . . 4 GLY H . 16911 1 32 . 1 1 4 4 GLY HA2 H 1 3.98 0.02 . 2 . . . . 4 GLY HA# . 16911 1 33 . 1 1 4 4 GLY HA3 H 1 3.98 0.02 . 2 . . . . 4 GLY HA# . 16911 1 34 . 1 1 4 4 GLY CA C 13 45.34 0.10 . 1 . . . . 4 GLY CA . 16911 1 35 . 1 1 4 4 GLY N N 15 109.87 0.10 . 1 . . . . 4 GLY N . 16911 1 36 . 1 1 5 5 SER H H 1 8.20 0.02 . 1 . . . . 5 SER H . 16911 1 37 . 1 1 5 5 SER HA H 1 4.43 0.02 . 1 . . . . 5 SER HA . 16911 1 38 . 1 1 5 5 SER HB2 H 1 3.86 0.02 . 2 . . . . 5 SER HB# . 16911 1 39 . 1 1 5 5 SER HB3 H 1 3.86 0.02 . 2 . . . . 5 SER HB# . 16911 1 40 . 1 1 5 5 SER CA C 13 58.38 0.10 . 1 . . . . 5 SER CA . 16911 1 41 . 1 1 5 5 SER CB C 13 63.92 0.10 . 1 . . . . 5 SER CB . 16911 1 42 . 1 1 5 5 SER N N 15 115.59 0.10 . 1 . . . . 5 SER N . 16911 1 43 . 1 1 6 6 MET H H 1 8.41 0.02 . 1 . . . . 6 MET H . 16911 1 44 . 1 1 6 6 MET HA H 1 4.47 0.02 . 1 . . . . 6 MET HA . 16911 1 45 . 1 1 6 6 MET HB2 H 1 1.99 0.02 . 2 . . . . 6 MET HB# . 16911 1 46 . 1 1 6 6 MET HB3 H 1 1.99 0.02 . 2 . . . . 6 MET HB# . 16911 1 47 . 1 1 6 6 MET HE1 H 1 2.08 0.02 . 1 . . . . 6 MET HE . 16911 1 48 . 1 1 6 6 MET HE2 H 1 2.08 0.02 . 1 . . . . 6 MET HE . 16911 1 49 . 1 1 6 6 MET HE3 H 1 2.08 0.02 . 1 . . . . 6 MET HE . 16911 1 50 . 1 1 6 6 MET HG2 H 1 2.50 0.02 . 1 . . . . 6 MET HG2 . 16911 1 51 . 1 1 6 6 MET HG3 H 1 2.58 0.02 . 1 . . . . 6 MET HG3 . 16911 1 52 . 1 1 6 6 MET CA C 13 55.60 0.10 . 1 . . . . 6 MET CA . 16911 1 53 . 1 1 6 6 MET CB C 13 32.77 0.10 . 1 . . . . 6 MET CB . 16911 1 54 . 1 1 6 6 MET CE C 13 17.21 0.10 . 1 . . . . 6 MET CE . 16911 1 55 . 1 1 6 6 MET CG C 13 32.07 0.10 . 1 . . . . 6 MET CG . 16911 1 56 . 1 1 6 6 MET N N 15 121.60 0.10 . 1 . . . . 6 MET N . 16911 1 57 . 1 1 7 7 ASN H H 1 8.36 0.02 . 1 . . . . 7 ASN H . 16911 1 58 . 1 1 7 7 ASN HA H 1 4.65 0.02 . 1 . . . . 7 ASN HA . 16911 1 59 . 1 1 7 7 ASN HB2 H 1 2.64 0.02 . 1 . . . . 7 ASN HB2 . 16911 1 60 . 1 1 7 7 ASN HB3 H 1 2.79 0.02 . 1 . . . . 7 ASN HB3 . 16911 1 61 . 1 1 7 7 ASN HD21 H 1 7.56 0.02 . 1 . . . . 7 ASN HD21 . 16911 1 62 . 1 1 7 7 ASN HD22 H 1 6.85 0.02 . 1 . . . . 7 ASN HD22 . 16911 1 63 . 1 1 7 7 ASN C C 13 174.07 0.10 . 1 . . . . 7 ASN C . 16911 1 64 . 1 1 7 7 ASN CA C 13 53.27 0.10 . 1 . . . . 7 ASN CA . 16911 1 65 . 1 1 7 7 ASN CB C 13 39.28 0.10 . 1 . . . . 7 ASN CB . 16911 1 66 . 1 1 7 7 ASN N N 15 119.57 0.10 . 1 . . . . 7 ASN N . 16911 1 67 . 1 1 7 7 ASN ND2 N 15 112.96 0.10 . 1 . . . . 7 ASN ND2 . 16911 1 68 . 1 1 8 8 LYS H H 1 7.97 0.02 . 1 . . . . 8 LYS H . 16911 1 69 . 1 1 8 8 LYS HA H 1 4.18 0.02 . 1 . . . . 8 LYS HA . 16911 1 70 . 1 1 8 8 LYS HB2 H 1 1.58 0.02 . 1 . . . . 8 LYS HB2 . 16911 1 71 . 1 1 8 8 LYS HB3 H 1 1.71 0.02 . 1 . . . . 8 LYS HB3 . 16911 1 72 . 1 1 8 8 LYS HD2 H 1 1.59 0.02 . 2 . . . . 8 LYS HD# . 16911 1 73 . 1 1 8 8 LYS HD3 H 1 1.59 0.02 . 2 . . . . 8 LYS HD# . 16911 1 74 . 1 1 8 8 LYS HE2 H 1 2.93 0.02 . 2 . . . . 8 LYS HE# . 16911 1 75 . 1 1 8 8 LYS HE3 H 1 2.93 0.02 . 2 . . . . 8 LYS HE# . 16911 1 76 . 1 1 8 8 LYS HG2 H 1 1.26 0.02 . 1 . . . . 8 LYS HG2 . 16911 1 77 . 1 1 8 8 LYS HG3 H 1 1.30 0.02 . 1 . . . . 8 LYS HG3 . 16911 1 78 . 1 1 8 8 LYS C C 13 176.67 0.10 . 1 . . . . 8 LYS C . 16911 1 79 . 1 1 8 8 LYS CA C 13 55.66 0.10 . 1 . . . . 8 LYS CA . 16911 1 80 . 1 1 8 8 LYS CB C 13 33.81 0.10 . 1 . . . . 8 LYS CB . 16911 1 81 . 1 1 8 8 LYS CD C 13 28.77 0.10 . 1 . . . . 8 LYS CD . 16911 1 82 . 1 1 8 8 LYS CE C 13 42.02 0.10 . 1 . . . . 8 LYS CE . 16911 1 83 . 1 1 8 8 LYS CG C 13 24.40 0.10 . 1 . . . . 8 LYS CG . 16911 1 84 . 1 1 8 8 LYS N N 15 119.64 0.10 . 1 . . . . 8 LYS N . 16911 1 85 . 1 1 9 9 PHE H H 1 8.78 0.02 . 1 . . . . 9 PHE H . 16911 1 86 . 1 1 9 9 PHE HA H 1 5.06 0.02 . 1 . . . . 9 PHE HA . 16911 1 87 . 1 1 9 9 PHE HB2 H 1 2.95 0.02 . 1 . . . . 9 PHE HB2 . 16911 1 88 . 1 1 9 9 PHE HB3 H 1 3.54 0.02 . 1 . . . . 9 PHE HB3 . 16911 1 89 . 1 1 9 9 PHE HD1 H 1 7.36 0.02 . 1 . . . . 9 PHE HD# . 16911 1 90 . 1 1 9 9 PHE HD2 H 1 7.36 0.02 . 1 . . . . 9 PHE HD# . 16911 1 91 . 1 1 9 9 PHE C C 13 178.62 0.10 . 1 . . . . 9 PHE C . 16911 1 92 . 1 1 9 9 PHE CA C 13 57.01 0.10 . 1 . . . . 9 PHE CA . 16911 1 93 . 1 1 9 9 PHE CB C 13 40.31 0.10 . 1 . . . . 9 PHE CB . 16911 1 94 . 1 1 9 9 PHE CD1 C 13 131.66 0.10 . 1 . . . . 9 PHE CD# . 16911 1 95 . 1 1 9 9 PHE CD2 C 13 131.66 0.10 . 1 . . . . 9 PHE CD# . 16911 1 96 . 1 1 9 9 PHE N N 15 121.35 0.10 . 1 . . . . 9 PHE N . 16911 1 97 . 1 1 10 10 THR H H 1 9.21 0.02 . 1 . . . . 10 THR H . 16911 1 98 . 1 1 10 10 THR HA H 1 4.52 0.02 . 1 . . . . 10 THR HA . 16911 1 99 . 1 1 10 10 THR HB H 1 4.81 0.02 . 1 . . . . 10 THR HB . 16911 1 100 . 1 1 10 10 THR HG21 H 1 1.42 0.02 . 1 . . . . 10 THR HG2 . 16911 1 101 . 1 1 10 10 THR HG22 H 1 1.42 0.02 . 1 . . . . 10 THR HG2 . 16911 1 102 . 1 1 10 10 THR HG23 H 1 1.42 0.02 . 1 . . . . 10 THR HG2 . 16911 1 103 . 1 1 10 10 THR C C 13 175.68 0.10 . 1 . . . . 10 THR C . 16911 1 104 . 1 1 10 10 THR CA C 13 61.36 0.10 . 1 . . . . 10 THR CA . 16911 1 105 . 1 1 10 10 THR CB C 13 70.66 0.10 . 1 . . . . 10 THR CB . 16911 1 106 . 1 1 10 10 THR CG2 C 13 22.02 0.10 . 1 . . . . 10 THR CG2 . 16911 1 107 . 1 1 10 10 THR N N 15 114.98 0.10 . 1 . . . . 10 THR N . 16911 1 108 . 1 1 11 11 ASP H H 1 9.16 0.02 . 1 . . . . 11 ASP H . 16911 1 109 . 1 1 11 11 ASP HA H 1 4.57 0.02 . 1 . . . . 11 ASP HA . 16911 1 110 . 1 1 11 11 ASP HB2 H 1 2.76 0.02 . 1 . . . . 11 ASP HB2 . 16911 1 111 . 1 1 11 11 ASP HB3 H 1 2.86 0.02 . 1 . . . . 11 ASP HB3 . 16911 1 112 . 1 1 11 11 ASP C C 13 178.68 0.10 . 1 . . . . 11 ASP C . 16911 1 113 . 1 1 11 11 ASP CA C 13 58.43 0.10 . 1 . . . . 11 ASP CA . 16911 1 114 . 1 1 11 11 ASP CB C 13 39.41 0.10 . 1 . . . . 11 ASP CB . 16911 1 115 . 1 1 11 11 ASP N N 15 122.26 0.10 . 1 . . . . 11 ASP N . 16911 1 116 . 1 1 12 12 ASP H H 1 8.49 0.02 . 1 . . . . 12 ASP H . 16911 1 117 . 1 1 12 12 ASP HA H 1 4.55 0.02 . 1 . . . . 12 ASP HA . 16911 1 118 . 1 1 12 12 ASP HB2 H 1 2.63 0.02 . 1 . . . . 12 ASP HB2 . 16911 1 119 . 1 1 12 12 ASP HB3 H 1 2.67 0.02 . 1 . . . . 12 ASP HB3 . 16911 1 120 . 1 1 12 12 ASP C C 13 179.14 0.10 . 1 . . . . 12 ASP C . 16911 1 121 . 1 1 12 12 ASP CA C 13 57.56 0.10 . 1 . . . . 12 ASP CA . 16911 1 122 . 1 1 12 12 ASP CB C 13 40.71 0.10 . 1 . . . . 12 ASP CB . 16911 1 123 . 1 1 12 12 ASP N N 15 118.86 0.10 . 1 . . . . 12 ASP N . 16911 1 124 . 1 1 13 13 GLU H H 1 7.96 0.02 . 1 . . . . 13 GLU H . 16911 1 125 . 1 1 13 13 GLU HA H 1 4.03 0.02 . 1 . . . . 13 GLU HA . 16911 1 126 . 1 1 13 13 GLU HB2 H 1 2.52 0.02 . 1 . . . . 13 GLU HB2 . 16911 1 127 . 1 1 13 13 GLU HB3 H 1 2.05 0.02 . 1 . . . . 13 GLU HB3 . 16911 1 128 . 1 1 13 13 GLU HG2 H 1 2.32 0.02 . 1 . . . . 13 GLU HG2 . 16911 1 129 . 1 1 13 13 GLU HG3 H 1 2.45 0.02 . 1 . . . . 13 GLU HG3 . 16911 1 130 . 1 1 13 13 GLU C C 13 179.96 0.10 . 1 . . . . 13 GLU C . 16911 1 131 . 1 1 13 13 GLU CA C 13 59.16 0.10 . 1 . . . . 13 GLU CA . 16911 1 132 . 1 1 13 13 GLU CB C 13 30.53 0.10 . 1 . . . . 13 GLU CB . 16911 1 133 . 1 1 13 13 GLU CG C 13 37.16 0.10 . 1 . . . . 13 GLU CG . 16911 1 134 . 1 1 13 13 GLU N N 15 121.47 0.10 . 1 . . . . 13 GLU N . 16911 1 135 . 1 1 14 14 TRP H H 1 8.93 0.02 . 1 . . . . 14 TRP H . 16911 1 136 . 1 1 14 14 TRP HA H 1 4.61 0.02 . 1 . . . . 14 TRP HA . 16911 1 137 . 1 1 14 14 TRP HB2 H 1 3.27 0.02 . 1 . . . . 14 TRP HB2 . 16911 1 138 . 1 1 14 14 TRP HB3 H 1 3.41 0.02 . 1 . . . . 14 TRP HB3 . 16911 1 139 . 1 1 14 14 TRP HD1 H 1 7.34 0.02 . 1 . . . . 14 TRP HD1 . 16911 1 140 . 1 1 14 14 TRP HE1 H 1 10.18 0.02 . 1 . . . . 14 TRP HE1 . 16911 1 141 . 1 1 14 14 TRP HE3 H 1 7.07 0.02 . 1 . . . . 14 TRP HE3 . 16911 1 142 . 1 1 14 14 TRP HH2 H 1 6.94 0.02 . 1 . . . . 14 TRP HH2 . 16911 1 143 . 1 1 14 14 TRP HZ2 H 1 7.39 0.02 . 1 . . . . 14 TRP HZ2 . 16911 1 144 . 1 1 14 14 TRP HZ3 H 1 6.88 0.02 . 1 . . . . 14 TRP HZ3 . 16911 1 145 . 1 1 14 14 TRP C C 13 176.68 0.10 . 1 . . . . 14 TRP C . 16911 1 146 . 1 1 14 14 TRP CA C 13 58.75 0.10 . 1 . . . . 14 TRP CA . 16911 1 147 . 1 1 14 14 TRP CB C 13 30.20 0.10 . 1 . . . . 14 TRP CB . 16911 1 148 . 1 1 14 14 TRP CD1 C 13 126.85 0.10 . 1 . . . . 14 TRP CD1 . 16911 1 149 . 1 1 14 14 TRP CE3 C 13 121.62 0.10 . 1 . . . . 14 TRP CE3 . 16911 1 150 . 1 1 14 14 TRP CH2 C 13 123.61 0.10 . 1 . . . . 14 TRP CH2 . 16911 1 151 . 1 1 14 14 TRP CZ2 C 13 114.43 0.10 . 1 . . . . 14 TRP CZ2 . 16911 1 152 . 1 1 14 14 TRP CZ3 C 13 121.70 0.10 . 1 . . . . 14 TRP CZ3 . 16911 1 153 . 1 1 14 14 TRP N N 15 121.60 0.10 . 1 . . . . 14 TRP N . 16911 1 154 . 1 1 14 14 TRP NE1 N 15 126.62 0.10 . 1 . . . . 14 TRP NE1 . 16911 1 155 . 1 1 15 15 ASN H H 1 8.65 0.02 . 1 . . . . 15 ASN H . 16911 1 156 . 1 1 15 15 ASN HA H 1 4.11 0.02 . 1 . . . . 15 ASN HA . 16911 1 157 . 1 1 15 15 ASN HB2 H 1 2.99 0.02 . 1 . . . . 15 ASN HB2 . 16911 1 158 . 1 1 15 15 ASN HB3 H 1 2.82 0.02 . 1 . . . . 15 ASN HB3 . 16911 1 159 . 1 1 15 15 ASN HD21 H 1 7.76 0.02 . 1 . . . . 15 ASN HD21 . 16911 1 160 . 1 1 15 15 ASN HD22 H 1 7.01 0.02 . 1 . . . . 15 ASN HD22 . 16911 1 161 . 1 1 15 15 ASN C C 13 178.50 0.10 . 1 . . . . 15 ASN C . 16911 1 162 . 1 1 15 15 ASN CA C 13 56.55 0.10 . 1 . . . . 15 ASN CA . 16911 1 163 . 1 1 15 15 ASN CB C 13 37.77 0.10 . 1 . . . . 15 ASN CB . 16911 1 164 . 1 1 15 15 ASN N N 15 116.89 0.10 . 1 . . . . 15 ASN N . 16911 1 165 . 1 1 15 15 ASN ND2 N 15 112.33 0.10 . 1 . . . . 15 ASN ND2 . 16911 1 166 . 1 1 16 16 GLN H H 1 7.81 0.02 . 1 . . . . 16 GLN H . 16911 1 167 . 1 1 16 16 GLN HA H 1 3.93 0.02 . 1 . . . . 16 GLN HA . 16911 1 168 . 1 1 16 16 GLN HB2 H 1 2.15 0.02 . 2 . . . . 16 GLN HB# . 16911 1 169 . 1 1 16 16 GLN HB3 H 1 2.15 0.02 . 2 . . . . 16 GLN HB# . 16911 1 170 . 1 1 16 16 GLN HE21 H 1 7.63 0.02 . 1 . . . . 16 GLN HE21 . 16911 1 171 . 1 1 16 16 GLN HE22 H 1 6.83 0.02 . 1 . . . . 16 GLN HE22 . 16911 1 172 . 1 1 16 16 GLN HG2 H 1 2.40 0.02 . 2 . . . . 16 GLN HG# . 16911 1 173 . 1 1 16 16 GLN HG3 H 1 2.40 0.02 . 2 . . . . 16 GLN HG# . 16911 1 174 . 1 1 16 16 GLN C C 13 177.25 0.10 . 1 . . . . 16 GLN C . 16911 1 175 . 1 1 16 16 GLN CA C 13 58.71 0.10 . 1 . . . . 16 GLN CA . 16911 1 176 . 1 1 16 16 GLN CB C 13 28.36 0.10 . 1 . . . . 16 GLN CB . 16911 1 177 . 1 1 16 16 GLN CG C 13 33.90 0.10 . 1 . . . . 16 GLN CG . 16911 1 178 . 1 1 16 16 GLN N N 15 119.76 0.10 . 1 . . . . 16 GLN N . 16911 1 179 . 1 1 16 16 GLN NE2 N 15 115.05 0.10 . 1 . . . . 16 GLN NE2 . 16911 1 180 . 1 1 17 17 LEU H H 1 7.76 0.02 . 1 . . . . 17 LEU H . 16911 1 181 . 1 1 17 17 LEU HA H 1 4.04 0.02 . 1 . . . . 17 LEU HA . 16911 1 182 . 1 1 17 17 LEU HB2 H 1 1.36 0.02 . 1 . . . . 17 LEU HB2 . 16911 1 183 . 1 1 17 17 LEU HB3 H 1 1.71 0.02 . 1 . . . . 17 LEU HB3 . 16911 1 184 . 1 1 17 17 LEU HD11 H 1 0.82 0.02 . 1 . . . . 17 LEU HD1 . 16911 1 185 . 1 1 17 17 LEU HD12 H 1 0.82 0.02 . 1 . . . . 17 LEU HD1 . 16911 1 186 . 1 1 17 17 LEU HD13 H 1 0.82 0.02 . 1 . . . . 17 LEU HD1 . 16911 1 187 . 1 1 17 17 LEU HD21 H 1 0.78 0.02 . 1 . . . . 17 LEU HD2 . 16911 1 188 . 1 1 17 17 LEU HD22 H 1 0.78 0.02 . 1 . . . . 17 LEU HD2 . 16911 1 189 . 1 1 17 17 LEU HD23 H 1 0.78 0.02 . 1 . . . . 17 LEU HD2 . 16911 1 190 . 1 1 17 17 LEU HG H 1 1.60 0.02 . 1 . . . . 17 LEU HG . 16911 1 191 . 1 1 17 17 LEU C C 13 179.40 0.10 . 1 . . . . 17 LEU C . 16911 1 192 . 1 1 17 17 LEU CA C 13 58.38 0.10 . 1 . . . . 17 LEU CA . 16911 1 193 . 1 1 17 17 LEU CB C 13 41.59 0.10 . 1 . . . . 17 LEU CB . 16911 1 194 . 1 1 17 17 LEU CD1 C 13 24.44 0.10 . 1 . . . . 17 LEU CD1 . 16911 1 195 . 1 1 17 17 LEU CD2 C 13 25.75 0.10 . 1 . . . . 17 LEU CD2 . 16911 1 196 . 1 1 17 17 LEU CG C 13 27.79 0.10 . 1 . . . . 17 LEU CG . 16911 1 197 . 1 1 17 17 LEU N N 15 122.53 0.10 . 1 . . . . 17 LEU N . 16911 1 198 . 1 1 18 18 LYS H H 1 8.04 0.02 . 1 . . . . 18 LYS H . 16911 1 199 . 1 1 18 18 LYS HA H 1 3.36 0.02 . 1 . . . . 18 LYS HA . 16911 1 200 . 1 1 18 18 LYS HB2 H 1 1.94 0.02 . 1 . . . . 18 LYS HB2 . 16911 1 201 . 1 1 18 18 LYS HB3 H 1 0.98 0.02 . 1 . . . . 18 LYS HB3 . 16911 1 202 . 1 1 18 18 LYS HD2 H 1 1.93 0.02 . 2 . . . . 18 LYS HD# . 16911 1 203 . 1 1 18 18 LYS HD3 H 1 1.93 0.02 . 2 . . . . 18 LYS HD# . 16911 1 204 . 1 1 18 18 LYS HE2 H 1 2.50 0.02 . 1 . . . . 18 LYS HE2 . 16911 1 205 . 1 1 18 18 LYS HE3 H 1 2.98 0.02 . 1 . . . . 18 LYS HE3 . 16911 1 206 . 1 1 18 18 LYS HG2 H 1 0.26 0.02 . 2 . . . . 18 LYS HG# . 16911 1 207 . 1 1 18 18 LYS HG3 H 1 0.26 0.02 . 2 . . . . 18 LYS HG# . 16911 1 208 . 1 1 18 18 LYS C C 13 178.38 0.10 . 1 . . . . 18 LYS C . 16911 1 209 . 1 1 18 18 LYS CA C 13 61.63 0.10 . 1 . . . . 18 LYS CA . 16911 1 210 . 1 1 18 18 LYS CB C 13 32.11 0.10 . 1 . . . . 18 LYS CB . 16911 1 211 . 1 1 18 18 LYS CD C 13 32.05 0.10 . 1 . . . . 18 LYS CD . 16911 1 212 . 1 1 18 18 LYS CE C 13 41.40 0.10 . 1 . . . . 18 LYS CE . 16911 1 213 . 1 1 18 18 LYS CG C 13 24.57 0.10 . 1 . . . . 18 LYS CG . 16911 1 214 . 1 1 18 18 LYS N N 15 116.12 0.10 . 1 . . . . 18 LYS N . 16911 1 215 . 1 1 19 19 GLN H H 1 7.70 0.02 . 1 . . . . 19 GLN H . 16911 1 216 . 1 1 19 19 GLN HA H 1 3.85 0.02 . 1 . . . . 19 GLN HA . 16911 1 217 . 1 1 19 19 GLN HB2 H 1 2.16 0.02 . 2 . . . . 19 GLN HB# . 16911 1 218 . 1 1 19 19 GLN HB3 H 1 2.16 0.02 . 2 . . . . 19 GLN HB# . 16911 1 219 . 1 1 19 19 GLN HE21 H 1 7.55 0.02 . 1 . . . . 19 GLN HE21 . 16911 1 220 . 1 1 19 19 GLN HE22 H 1 6.86 0.02 . 1 . . . . 19 GLN HE22 . 16911 1 221 . 1 1 19 19 GLN HG2 H 1 2.46 0.02 . 2 . . . . 19 GLN HG# . 16911 1 222 . 1 1 19 19 GLN HG3 H 1 2.46 0.02 . 2 . . . . 19 GLN HG# . 16911 1 223 . 1 1 19 19 GLN C C 13 178.72 0.10 . 1 . . . . 19 GLN C . 16911 1 224 . 1 1 19 19 GLN CA C 13 58.80 0.10 . 1 . . . . 19 GLN CA . 16911 1 225 . 1 1 19 19 GLN CB C 13 27.85 0.10 . 1 . . . . 19 GLN CB . 16911 1 226 . 1 1 19 19 GLN CG C 13 33.69 0.10 . 1 . . . . 19 GLN CG . 16911 1 227 . 1 1 19 19 GLN N N 15 117.08 0.10 . 1 . . . . 19 GLN N . 16911 1 228 . 1 1 19 19 GLN NE2 N 15 112.32 0.10 . 1 . . . . 19 GLN NE2 . 16911 1 229 . 1 1 20 20 ASP H H 1 8.30 0.02 . 1 . . . . 20 ASP H . 16911 1 230 . 1 1 20 20 ASP HA H 1 4.34 0.02 . 1 . . . . 20 ASP HA . 16911 1 231 . 1 1 20 20 ASP HB2 H 1 2.95 0.02 . 1 . . . . 20 ASP HB2 . 16911 1 232 . 1 1 20 20 ASP HB3 H 1 2.57 0.02 . 1 . . . . 20 ASP HB3 . 16911 1 233 . 1 1 20 20 ASP C C 13 179.31 0.10 . 1 . . . . 20 ASP C . 16911 1 234 . 1 1 20 20 ASP CA C 13 57.59 0.10 . 1 . . . . 20 ASP CA . 16911 1 235 . 1 1 20 20 ASP CB C 13 40.20 0.10 . 1 . . . . 20 ASP CB . 16911 1 236 . 1 1 20 20 ASP N N 15 121.97 0.10 . 1 . . . . 20 ASP N . 16911 1 237 . 1 1 21 21 PHE H H 1 8.50 0.02 . 1 . . . . 21 PHE H . 16911 1 238 . 1 1 21 21 PHE HA H 1 3.99 0.02 . 1 . . . . 21 PHE HA . 16911 1 239 . 1 1 21 21 PHE HB2 H 1 3.08 0.02 . 1 . . . . 21 PHE HB2 . 16911 1 240 . 1 1 21 21 PHE HB3 H 1 2.79 0.02 . 1 . . . . 21 PHE HB3 . 16911 1 241 . 1 1 21 21 PHE HD1 H 1 6.88 0.02 . 1 . . . . 21 PHE HD# . 16911 1 242 . 1 1 21 21 PHE HD2 H 1 6.88 0.02 . 1 . . . . 21 PHE HD# . 16911 1 243 . 1 1 21 21 PHE HE1 H 1 6.60 0.02 . 1 . . . . 21 PHE HE# . 16911 1 244 . 1 1 21 21 PHE HE2 H 1 6.60 0.02 . 1 . . . . 21 PHE HE# . 16911 1 245 . 1 1 21 21 PHE HZ H 1 6.41 0.02 . 1 . . . . 21 PHE HZ . 16911 1 246 . 1 1 21 21 PHE C C 13 177.90 0.10 . 1 . . . . 21 PHE C . 16911 1 247 . 1 1 21 21 PHE CA C 13 61.60 0.10 . 1 . . . . 21 PHE CA . 16911 1 248 . 1 1 21 21 PHE CB C 13 38.69 0.10 . 1 . . . . 21 PHE CB . 16911 1 249 . 1 1 21 21 PHE CD1 C 13 131.72 0.10 . 1 . . . . 21 PHE CD# . 16911 1 250 . 1 1 21 21 PHE CD2 C 13 131.72 0.10 . 1 . . . . 21 PHE CD# . 16911 1 251 . 1 1 21 21 PHE CE1 C 13 131.26 0.10 . 1 . . . . 21 PHE CE# . 16911 1 252 . 1 1 21 21 PHE CE2 C 13 131.26 0.10 . 1 . . . . 21 PHE CE# . 16911 1 253 . 1 1 21 21 PHE CZ C 13 130.53 0.10 . 1 . . . . 21 PHE CZ . 16911 1 254 . 1 1 21 21 PHE N N 15 122.51 0.10 . 1 . . . . 21 PHE N . 16911 1 255 . 1 1 22 22 ILE H H 1 8.79 0.02 . 1 . . . . 22 ILE H . 16911 1 256 . 1 1 22 22 ILE HA H 1 3.11 0.02 . 1 . . . . 22 ILE HA . 16911 1 257 . 1 1 22 22 ILE HB H 1 1.74 0.02 . 1 . . . . 22 ILE HB . 16911 1 258 . 1 1 22 22 ILE HD11 H 1 0.31 0.02 . 1 . . . . 22 ILE HD1 . 16911 1 259 . 1 1 22 22 ILE HD12 H 1 0.31 0.02 . 1 . . . . 22 ILE HD1 . 16911 1 260 . 1 1 22 22 ILE HD13 H 1 0.31 0.02 . 1 . . . . 22 ILE HD1 . 16911 1 261 . 1 1 22 22 ILE HG12 H 1 0.69 0.02 . 1 . . . . 22 ILE HG12 . 16911 1 262 . 1 1 22 22 ILE HG13 H 1 1.82 0.02 . 1 . . . . 22 ILE HG13 . 16911 1 263 . 1 1 22 22 ILE HG21 H 1 0.76 0.02 . 1 . . . . 22 ILE HG2 . 16911 1 264 . 1 1 22 22 ILE HG22 H 1 0.76 0.02 . 1 . . . . 22 ILE HG2 . 16911 1 265 . 1 1 22 22 ILE HG23 H 1 0.76 0.02 . 1 . . . . 22 ILE HG2 . 16911 1 266 . 1 1 22 22 ILE C C 13 177.33 0.10 . 1 . . . . 22 ILE C . 16911 1 267 . 1 1 22 22 ILE CA C 13 65.91 0.10 . 1 . . . . 22 ILE CA . 16911 1 268 . 1 1 22 22 ILE CB C 13 38.30 0.10 . 1 . . . . 22 ILE CB . 16911 1 269 . 1 1 22 22 ILE CD1 C 13 13.00 0.10 . 1 . . . . 22 ILE CD1 . 16911 1 270 . 1 1 22 22 ILE CG1 C 13 30.82 0.10 . 1 . . . . 22 ILE CG1 . 16911 1 271 . 1 1 22 22 ILE CG2 C 13 17.11 0.10 . 1 . . . . 22 ILE CG2 . 16911 1 272 . 1 1 22 22 ILE N N 15 121.04 0.10 . 1 . . . . 22 ILE N . 16911 1 273 . 1 1 23 23 SER H H 1 8.43 0.02 . 1 . . . . 23 SER H . 16911 1 274 . 1 1 23 23 SER HA H 1 4.02 0.02 . 1 . . . . 23 SER HA . 16911 1 275 . 1 1 23 23 SER HB2 H 1 3.90 0.02 . 2 . . . . 23 SER HB# . 16911 1 276 . 1 1 23 23 SER HB3 H 1 3.90 0.02 . 2 . . . . 23 SER HB# . 16911 1 277 . 1 1 23 23 SER C C 13 176.58 0.10 . 1 . . . . 23 SER C . 16911 1 278 . 1 1 23 23 SER CA C 13 61.87 0.10 . 1 . . . . 23 SER CA . 16911 1 279 . 1 1 23 23 SER CB C 13 62.83 0.10 . 1 . . . . 23 SER CB . 16911 1 280 . 1 1 23 23 SER N N 15 114.24 0.10 . 1 . . . . 23 SER N . 16911 1 281 . 1 1 24 24 GLY H H 1 7.33 0.02 . 1 . . . . 24 GLY H . 16911 1 282 . 1 1 24 24 GLY HA2 H 1 3.67 0.02 . 1 . . . . 24 GLY HA2 . 16911 1 283 . 1 1 24 24 GLY HA3 H 1 3.83 0.02 . 1 . . . . 24 GLY HA3 . 16911 1 284 . 1 1 24 24 GLY C C 13 175.59 0.10 . 1 . . . . 24 GLY C . 16911 1 285 . 1 1 24 24 GLY CA C 13 46.55 0.10 . 1 . . . . 24 GLY CA . 16911 1 286 . 1 1 24 24 GLY N N 15 106.64 0.10 . 1 . . . . 24 GLY N . 16911 1 287 . 1 1 25 25 ILE H H 1 7.30 0.02 . 1 . . . . 25 ILE H . 16911 1 288 . 1 1 25 25 ILE HA H 1 3.77 0.02 . 1 . . . . 25 ILE HA . 16911 1 289 . 1 1 25 25 ILE HB H 1 1.48 0.02 . 1 . . . . 25 ILE HB . 16911 1 290 . 1 1 25 25 ILE HD11 H 1 -0.17 0.02 . 1 . . . . 25 ILE HD1 . 16911 1 291 . 1 1 25 25 ILE HD12 H 1 -0.17 0.02 . 1 . . . . 25 ILE HD1 . 16911 1 292 . 1 1 25 25 ILE HD13 H 1 -0.17 0.02 . 1 . . . . 25 ILE HD1 . 16911 1 293 . 1 1 25 25 ILE HG21 H 1 0.46 0.02 . 1 . . . . 25 ILE HG2 . 16911 1 294 . 1 1 25 25 ILE HG22 H 1 0.46 0.02 . 1 . . . . 25 ILE HG2 . 16911 1 295 . 1 1 25 25 ILE HG23 H 1 0.46 0.02 . 1 . . . . 25 ILE HG2 . 16911 1 296 . 1 1 25 25 ILE HG12 H 1 0.46 0.02 . 1 . . . . 25 ILE HG11 . 16911 1 297 . 1 1 25 25 ILE HG13 H 1 0.46 0.02 . 1 . . . . 25 ILE HG12 . 16911 1 298 . 1 1 25 25 ILE C C 13 178.20 0.10 . 1 . . . . 25 ILE C . 16911 1 299 . 1 1 25 25 ILE CA C 13 61.79 0.10 . 1 . . . . 25 ILE CA . 16911 1 300 . 1 1 25 25 ILE CB C 13 36.82 0.10 . 1 . . . . 25 ILE CB . 16911 1 301 . 1 1 25 25 ILE CD1 C 13 10.59 0.10 . 1 . . . . 25 ILE CD1 . 16911 1 302 . 1 1 25 25 ILE CG1 C 13 27.23 0.10 . 1 . . . . 25 ILE CG1 . 16911 1 303 . 1 1 25 25 ILE CG2 C 13 17.87 0.10 . 1 . . . . 25 ILE CG2 . 16911 1 304 . 1 1 25 25 ILE N N 15 120.79 0.10 . 1 . . . . 25 ILE N . 16911 1 305 . 1 1 26 26 LEU H H 1 8.00 0.02 . 1 . . . . 26 LEU H . 16911 1 306 . 1 1 26 26 LEU HA H 1 4.08 0.02 . 1 . . . . 26 LEU HA . 16911 1 307 . 1 1 26 26 LEU HB2 H 1 1.47 0.02 . 1 . . . . 26 LEU HB2 . 16911 1 308 . 1 1 26 26 LEU HB3 H 1 1.70 0.02 . 1 . . . . 26 LEU HB3 . 16911 1 309 . 1 1 26 26 LEU HD11 H 1 0.72 0.02 . 1 . . . . 26 LEU HD1 . 16911 1 310 . 1 1 26 26 LEU HD12 H 1 0.72 0.02 . 1 . . . . 26 LEU HD1 . 16911 1 311 . 1 1 26 26 LEU HD13 H 1 0.72 0.02 . 1 . . . . 26 LEU HD1 . 16911 1 312 . 1 1 26 26 LEU HD21 H 1 0.76 0.02 . 1 . . . . 26 LEU HD2 . 16911 1 313 . 1 1 26 26 LEU HD22 H 1 0.76 0.02 . 1 . . . . 26 LEU HD2 . 16911 1 314 . 1 1 26 26 LEU HD23 H 1 0.76 0.02 . 1 . . . . 26 LEU HD2 . 16911 1 315 . 1 1 26 26 LEU HG H 1 1.67 0.02 . 1 . . . . 26 LEU HG . 16911 1 316 . 1 1 26 26 LEU C C 13 178.76 0.10 . 1 . . . . 26 LEU C . 16911 1 317 . 1 1 26 26 LEU CA C 13 56.55 0.10 . 1 . . . . 26 LEU CA . 16911 1 318 . 1 1 26 26 LEU CB C 13 41.45 0.10 . 1 . . . . 26 LEU CB . 16911 1 319 . 1 1 26 26 LEU CD1 C 13 22.54 0.10 . 1 . . . . 26 LEU CD1 . 16911 1 320 . 1 1 26 26 LEU CD2 C 13 25.61 0.10 . 1 . . . . 26 LEU CD2 . 16911 1 321 . 1 1 26 26 LEU CG C 13 26.68 0.10 . 1 . . . . 26 LEU CG . 16911 1 322 . 1 1 26 26 LEU N N 15 119.60 0.10 . 1 . . . . 26 LEU N . 16911 1 323 . 1 1 27 27 GLU H H 1 7.75 0.02 . 1 . . . . 27 GLU H . 16911 1 324 . 1 1 27 27 GLU HA H 1 4.16 0.02 . 1 . . . . 27 GLU HA . 16911 1 325 . 1 1 27 27 GLU HB2 H 1 2.03 0.02 . 2 . . . . 27 GLU HB# . 16911 1 326 . 1 1 27 27 GLU HB3 H 1 2.03 0.02 . 2 . . . . 27 GLU HB# . 16911 1 327 . 1 1 27 27 GLU HG2 H 1 2.24 0.02 . 1 . . . . 27 GLU HG2 . 16911 1 328 . 1 1 27 27 GLU HG3 H 1 2.31 0.02 . 1 . . . . 27 GLU HG3 . 16911 1 329 . 1 1 27 27 GLU C C 13 177.19 0.10 . 1 . . . . 27 GLU C . 16911 1 330 . 1 1 27 27 GLU CA C 13 57.70 0.10 . 1 . . . . 27 GLU CA . 16911 1 331 . 1 1 27 27 GLU CB C 13 29.76 0.10 . 1 . . . . 27 GLU CB . 16911 1 332 . 1 1 27 27 GLU CG C 13 36.23 0.10 . 1 . . . . 27 GLU CG . 16911 1 333 . 1 1 27 27 GLU N N 15 118.24 0.10 . 1 . . . . 27 GLU N . 16911 1 334 . 1 1 28 28 ASN H H 1 7.76 0.02 . 1 . . . . 28 ASN H . 16911 1 335 . 1 1 28 28 ASN HA H 1 4.63 0.02 . 1 . . . . 28 ASN HA . 16911 1 336 . 1 1 28 28 ASN HB2 H 1 2.80 0.02 . 2 . . . . 28 ASN HB# . 16911 1 337 . 1 1 28 28 ASN HB3 H 1 2.80 0.02 . 2 . . . . 28 ASN HB# . 16911 1 338 . 1 1 28 28 ASN HD21 H 1 7.60 0.02 . 1 . . . . 28 ASN HD21 . 16911 1 339 . 1 1 28 28 ASN HD22 H 1 6.92 0.02 . 1 . . . . 28 ASN HD22 . 16911 1 340 . 1 1 28 28 ASN C C 13 175.75 0.10 . 1 . . . . 28 ASN C . 16911 1 341 . 1 1 28 28 ASN CA C 13 54.07 0.10 . 1 . . . . 28 ASN CA . 16911 1 342 . 1 1 28 28 ASN CB C 13 39.34 0.10 . 1 . . . . 28 ASN CB . 16911 1 343 . 1 1 28 28 ASN N N 15 117.29 0.10 . 1 . . . . 28 ASN N . 16911 1 344 . 1 1 28 28 ASN ND2 N 15 113.46 0.10 . 1 . . . . 28 ASN ND2 . 16911 1 345 . 1 1 29 29 GLU H H 1 8.33 0.02 . 1 . . . . 29 GLU H . 16911 1 346 . 1 1 29 29 GLU HA H 1 4.21 0.02 . 1 . . . . 29 GLU HA . 16911 1 347 . 1 1 29 29 GLU HB2 H 1 2.02 0.02 . 1 . . . . 29 GLU HB2 . 16911 1 348 . 1 1 29 29 GLU HB3 H 1 2.13 0.02 . 1 . . . . 29 GLU HB3 . 16911 1 349 . 1 1 29 29 GLU HG2 H 1 2.25 0.02 . 1 . . . . 29 GLU HG2 . 16911 1 350 . 1 1 29 29 GLU HG3 H 1 2.32 0.02 . 1 . . . . 29 GLU HG3 . 16911 1 351 . 1 1 29 29 GLU C C 13 177.17 0.10 . 1 . . . . 29 GLU C . 16911 1 352 . 1 1 29 29 GLU CA C 13 57.68 0.10 . 1 . . . . 29 GLU CA . 16911 1 353 . 1 1 29 29 GLU CB C 13 29.94 0.10 . 1 . . . . 29 GLU CB . 16911 1 354 . 1 1 29 29 GLU CG C 13 36.52 0.10 . 1 . . . . 29 GLU CG . 16911 1 355 . 1 1 29 29 GLU N N 15 120.51 0.10 . 1 . . . . 29 GLU N . 16911 1 356 . 1 1 30 30 GLN H H 1 8.30 0.02 . 1 . . . . 30 GLN H . 16911 1 357 . 1 1 30 30 GLN HA H 1 4.27 0.02 . 1 . . . . 30 GLN HA . 16911 1 358 . 1 1 30 30 GLN HB2 H 1 2.07 0.02 . 1 . . . . 30 GLN HB2 . 16911 1 359 . 1 1 30 30 GLN HB3 H 1 2.18 0.02 . 1 . . . . 30 GLN HB3 . 16911 1 360 . 1 1 30 30 GLN HE21 H 1 7.56 0.02 . 1 . . . . 30 GLN HE21 . 16911 1 361 . 1 1 30 30 GLN HE22 H 1 6.84 0.02 . 1 . . . . 30 GLN HE22 . 16911 1 362 . 1 1 30 30 GLN HG2 H 1 2.41 0.02 . 2 . . . . 30 GLN HG# . 16911 1 363 . 1 1 30 30 GLN HG3 H 1 2.41 0.02 . 2 . . . . 30 GLN HG# . 16911 1 364 . 1 1 30 30 GLN C C 13 176.74 0.10 . 1 . . . . 30 GLN C . 16911 1 365 . 1 1 30 30 GLN CA C 13 56.61 0.10 . 1 . . . . 30 GLN CA . 16911 1 366 . 1 1 30 30 GLN CB C 13 28.79 0.10 . 1 . . . . 30 GLN CB . 16911 1 367 . 1 1 30 30 GLN CG C 13 34.03 0.10 . 1 . . . . 30 GLN CG . 16911 1 368 . 1 1 30 30 GLN N N 15 119.92 0.10 . 1 . . . . 30 GLN N . 16911 1 369 . 1 1 30 30 GLN NE2 N 15 112.44 0.10 . 1 . . . . 30 GLN NE2 . 16911 1 370 . 1 1 31 31 LYS H H 1 8.13 0.02 . 1 . . . . 31 LYS H . 16911 1 371 . 1 1 31 31 LYS HA H 1 4.17 0.02 . 1 . . . . 31 LYS HA . 16911 1 372 . 1 1 31 31 LYS HB2 H 1 1.83 0.02 . 2 . . . . 31 LYS HB# . 16911 1 373 . 1 1 31 31 LYS HB3 H 1 1.83 0.02 . 2 . . . . 31 LYS HB# . 16911 1 374 . 1 1 31 31 LYS HD2 H 1 1.65 0.02 . 2 . . . . 31 LYS HD# . 16911 1 375 . 1 1 31 31 LYS HD3 H 1 1.65 0.02 . 2 . . . . 31 LYS HD# . 16911 1 376 . 1 1 31 31 LYS HE2 H 1 2.96 0.02 . 2 . . . . 31 LYS HE# . 16911 1 377 . 1 1 31 31 LYS HE3 H 1 2.96 0.02 . 2 . . . . 31 LYS HE# . 16911 1 378 . 1 1 31 31 LYS HG2 H 1 1.43 0.02 . 2 . . . . 31 LYS HG# . 16911 1 379 . 1 1 31 31 LYS HG3 H 1 1.43 0.02 . 2 . . . . 31 LYS HG# . 16911 1 380 . 1 1 31 31 LYS C C 13 176.98 0.10 . 1 . . . . 31 LYS C . 16911 1 381 . 1 1 31 31 LYS CA C 13 57.63 0.10 . 1 . . . . 31 LYS CA . 16911 1 382 . 1 1 31 31 LYS CB C 13 32.73 0.10 . 1 . . . . 31 LYS CB . 16911 1 383 . 1 1 31 31 LYS CD C 13 29.10 0.10 . 1 . . . . 31 LYS CD . 16911 1 384 . 1 1 31 31 LYS CE C 13 42.20 0.10 . 1 . . . . 31 LYS CE . 16911 1 385 . 1 1 31 31 LYS CG C 13 24.73 0.10 . 1 . . . . 31 LYS CG . 16911 1 386 . 1 1 31 31 LYS N N 15 120.76 0.10 . 1 . . . . 31 LYS N . 16911 1 387 . 1 1 32 32 ASP H H 1 8.25 0.02 . 1 . . . . 32 ASP H . 16911 1 388 . 1 1 32 32 ASP HA H 1 4.58 0.02 . 1 . . . . 32 ASP HA . 16911 1 389 . 1 1 32 32 ASP HB2 H 1 2.65 0.02 . 2 . . . . 32 ASP HB# . 16911 1 390 . 1 1 32 32 ASP HB3 H 1 2.65 0.02 . 2 . . . . 32 ASP HB# . 16911 1 391 . 1 1 32 32 ASP C C 13 176.86 0.10 . 1 . . . . 32 ASP C . 16911 1 392 . 1 1 32 32 ASP CA C 13 55.06 0.10 . 1 . . . . 32 ASP CA . 16911 1 393 . 1 1 32 32 ASP CB C 13 40.76 0.10 . 1 . . . . 32 ASP CB . 16911 1 394 . 1 1 32 32 ASP N N 15 119.47 0.10 . 1 . . . . 32 ASP N . 16911 1 395 . 1 1 33 33 LEU H H 1 7.97 0.02 . 1 . . . . 33 LEU H . 16911 1 396 . 1 1 33 33 LEU HA H 1 4.21 0.02 . 1 . . . . 33 LEU HA . 16911 1 397 . 1 1 33 33 LEU HB2 H 1 1.72 0.02 . 1 . . . . 33 LEU HB2 . 16911 1 398 . 1 1 33 33 LEU HB3 H 1 1.59 0.02 . 1 . . . . 33 LEU HB3 . 16911 1 399 . 1 1 33 33 LEU HD11 H 1 0.90 0.02 . 1 . . . . 33 LEU HD1 . 16911 1 400 . 1 1 33 33 LEU HD12 H 1 0.90 0.02 . 1 . . . . 33 LEU HD1 . 16911 1 401 . 1 1 33 33 LEU HD13 H 1 0.90 0.02 . 1 . . . . 33 LEU HD1 . 16911 1 402 . 1 1 33 33 LEU HD21 H 1 0.83 0.02 . 1 . . . . 33 LEU HD2 . 16911 1 403 . 1 1 33 33 LEU HD22 H 1 0.83 0.02 . 1 . . . . 33 LEU HD2 . 16911 1 404 . 1 1 33 33 LEU HD23 H 1 0.83 0.02 . 1 . . . . 33 LEU HD2 . 16911 1 405 . 1 1 33 33 LEU HG H 1 1.64 0.02 . 1 . . . . 33 LEU HG . 16911 1 406 . 1 1 33 33 LEU C C 13 178.27 0.10 . 1 . . . . 33 LEU C . 16911 1 407 . 1 1 33 33 LEU CA C 13 56.82 0.10 . 1 . . . . 33 LEU CA . 16911 1 408 . 1 1 33 33 LEU CB C 13 42.17 0.10 . 1 . . . . 33 LEU CB . 16911 1 409 . 1 1 33 33 LEU CD1 C 13 25.08 0.10 . 1 . . . . 33 LEU CD1 . 16911 1 410 . 1 1 33 33 LEU CD2 C 13 23.90 0.10 . 1 . . . . 33 LEU CD2 . 16911 1 411 . 1 1 33 33 LEU CG C 13 27.02 0.10 . 1 . . . . 33 LEU CG . 16911 1 412 . 1 1 33 33 LEU N N 15 121.47 0.10 . 1 . . . . 33 LEU N . 16911 1 413 . 1 1 34 34 VAL H H 1 7.94 0.02 . 1 . . . . 34 VAL H . 16911 1 414 . 1 1 34 34 VAL HA H 1 3.88 0.02 . 1 . . . . 34 VAL HA . 16911 1 415 . 1 1 34 34 VAL HB H 1 2.14 0.02 . 1 . . . . 34 VAL HB . 16911 1 416 . 1 1 34 34 VAL HG11 H 1 1.00 0.02 . 1 . . . . 34 VAL HG1 . 16911 1 417 . 1 1 34 34 VAL HG12 H 1 1.00 0.02 . 1 . . . . 34 VAL HG1 . 16911 1 418 . 1 1 34 34 VAL HG13 H 1 1.00 0.02 . 1 . . . . 34 VAL HG1 . 16911 1 419 . 1 1 34 34 VAL HG21 H 1 0.94 0.02 . 1 . . . . 34 VAL HG2 . 16911 1 420 . 1 1 34 34 VAL HG22 H 1 0.94 0.02 . 1 . . . . 34 VAL HG2 . 16911 1 421 . 1 1 34 34 VAL HG23 H 1 0.94 0.02 . 1 . . . . 34 VAL HG2 . 16911 1 422 . 1 1 34 34 VAL C C 13 177.13 0.10 . 1 . . . . 34 VAL C . 16911 1 423 . 1 1 34 34 VAL CA C 13 64.23 0.10 . 1 . . . . 34 VAL CA . 16911 1 424 . 1 1 34 34 VAL CB C 13 32.02 0.10 . 1 . . . . 34 VAL CB . 16911 1 425 . 1 1 34 34 VAL CG1 C 13 21.75 0.10 . 1 . . . . 34 VAL CG1 . 16911 1 426 . 1 1 34 34 VAL CG2 C 13 21.32 0.10 . 1 . . . . 34 VAL CG2 . 16911 1 427 . 1 1 34 34 VAL N N 15 118.26 0.10 . 1 . . . . 34 VAL N . 16911 1 428 . 1 1 35 35 ALA H H 1 7.96 0.02 . 1 . . . . 35 ALA H . 16911 1 429 . 1 1 35 35 ALA HA H 1 4.21 0.02 . 1 . . . . 35 ALA HA . 16911 1 430 . 1 1 35 35 ALA HB1 H 1 1.42 0.02 . 1 . . . . 35 ALA HB . 16911 1 431 . 1 1 35 35 ALA HB2 H 1 1.42 0.02 . 1 . . . . 35 ALA HB . 16911 1 432 . 1 1 35 35 ALA HB3 H 1 1.42 0.02 . 1 . . . . 35 ALA HB . 16911 1 433 . 1 1 35 35 ALA C C 13 178.53 0.10 . 1 . . . . 35 ALA C . 16911 1 434 . 1 1 35 35 ALA CA C 13 53.66 0.10 . 1 . . . . 35 ALA CA . 16911 1 435 . 1 1 35 35 ALA CB C 13 18.73 0.10 . 1 . . . . 35 ALA CB . 16911 1 436 . 1 1 35 35 ALA N N 15 124.25 0.10 . 1 . . . . 35 ALA N . 16911 1 437 . 1 1 36 36 LYS H H 1 7.86 0.02 . 1 . . . . 36 LYS H . 16911 1 438 . 1 1 36 36 LYS HA H 1 4.20 0.02 . 1 . . . . 36 LYS HA . 16911 1 439 . 1 1 36 36 LYS HB2 H 1 1.75 0.02 . 2 . . . . 36 LYS HB# . 16911 1 440 . 1 1 36 36 LYS HB3 H 1 1.75 0.02 . 2 . . . . 36 LYS HB# . 16911 1 441 . 1 1 36 36 LYS HD2 H 1 1.40 0.02 . 2 . . . . 36 LYS HD# . 16911 1 442 . 1 1 36 36 LYS HD3 H 1 1.40 0.02 . 2 . . . . 36 LYS HD# . 16911 1 443 . 1 1 36 36 LYS HE2 H 1 2.69 0.02 . 2 . . . . 36 LYS HE# . 16911 1 444 . 1 1 36 36 LYS HE3 H 1 2.69 0.02 . 2 . . . . 36 LYS HE# . 16911 1 445 . 1 1 36 36 LYS HG2 H 1 1.28 0.02 . 1 . . . . 36 LYS HG2 . 16911 1 446 . 1 1 36 36 LYS HG3 H 1 1.36 0.02 . 1 . . . . 36 LYS HG3 . 16911 1 447 . 1 1 36 36 LYS C C 13 177.33 0.10 . 1 . . . . 36 LYS C . 16911 1 448 . 1 1 36 36 LYS CA C 13 57.23 0.10 . 1 . . . . 36 LYS CA . 16911 1 449 . 1 1 36 36 LYS CB C 13 32.89 0.10 . 1 . . . . 36 LYS CB . 16911 1 450 . 1 1 36 36 LYS CD C 13 28.97 0.10 . 1 . . . . 36 LYS CD . 16911 1 451 . 1 1 36 36 LYS CE C 13 42.01 0.10 . 1 . . . . 36 LYS CE . 16911 1 452 . 1 1 36 36 LYS CG C 13 24.82 0.10 . 1 . . . . 36 LYS CG . 16911 1 453 . 1 1 36 36 LYS N N 15 117.75 0.10 . 1 . . . . 36 LYS N . 16911 1 454 . 1 1 37 37 LEU H H 1 8.00 0.02 . 1 . . . . 37 LEU H . 16911 1 455 . 1 1 37 37 LEU HA H 1 4.41 0.02 . 1 . . . . 37 LEU HA . 16911 1 456 . 1 1 37 37 LEU HB2 H 1 1.61 0.02 . 1 . . . . 37 LEU HB2 . 16911 1 457 . 1 1 37 37 LEU HB3 H 1 1.78 0.02 . 1 . . . . 37 LEU HB3 . 16911 1 458 . 1 1 37 37 LEU HD11 H 1 0.87 0.02 . 1 . . . . 37 LEU HD1 . 16911 1 459 . 1 1 37 37 LEU HD12 H 1 0.87 0.02 . 1 . . . . 37 LEU HD1 . 16911 1 460 . 1 1 37 37 LEU HD13 H 1 0.87 0.02 . 1 . . . . 37 LEU HD1 . 16911 1 461 . 1 1 37 37 LEU HD21 H 1 0.92 0.02 . 1 . . . . 37 LEU HD2 . 16911 1 462 . 1 1 37 37 LEU HD22 H 1 0.92 0.02 . 1 . . . . 37 LEU HD2 . 16911 1 463 . 1 1 37 37 LEU HD23 H 1 0.92 0.02 . 1 . . . . 37 LEU HD2 . 16911 1 464 . 1 1 37 37 LEU HG H 1 1.72 0.02 . 1 . . . . 37 LEU HG . 16911 1 465 . 1 1 37 37 LEU C C 13 177.68 0.10 . 1 . . . . 37 LEU C . 16911 1 466 . 1 1 37 37 LEU CA C 13 55.45 0.10 . 1 . . . . 37 LEU CA . 16911 1 467 . 1 1 37 37 LEU CB C 13 42.35 0.10 . 1 . . . . 37 LEU CB . 16911 1 468 . 1 1 37 37 LEU CD1 C 13 23.23 0.10 . 1 . . . . 37 LEU CD1 . 16911 1 469 . 1 1 37 37 LEU CD2 C 13 25.46 0.10 . 1 . . . . 37 LEU CD2 . 16911 1 470 . 1 1 37 37 LEU CG C 13 26.93 0.10 . 1 . . . . 37 LEU CG . 16911 1 471 . 1 1 37 37 LEU N N 15 120.05 0.10 . 1 . . . . 37 LEU N . 16911 1 472 . 1 1 38 38 THR H H 1 8.01 0.02 . 1 . . . . 38 THR H . 16911 1 473 . 1 1 38 38 THR HA H 1 4.32 0.02 . 1 . . . . 38 THR HA . 16911 1 474 . 1 1 38 38 THR HB H 1 4.29 0.02 . 1 . . . . 38 THR HB . 16911 1 475 . 1 1 38 38 THR HG21 H 1 1.22 0.02 . 1 . . . . 38 THR HG2 . 16911 1 476 . 1 1 38 38 THR HG22 H 1 1.22 0.02 . 1 . . . . 38 THR HG2 . 16911 1 477 . 1 1 38 38 THR HG23 H 1 1.22 0.02 . 1 . . . . 38 THR HG2 . 16911 1 478 . 1 1 38 38 THR C C 13 174.51 0.10 . 1 . . . . 38 THR C . 16911 1 479 . 1 1 38 38 THR CA C 13 62.32 0.10 . 1 . . . . 38 THR CA . 16911 1 480 . 1 1 38 38 THR CB C 13 69.87 0.10 . 1 . . . . 38 THR CB . 16911 1 481 . 1 1 38 38 THR CG2 C 13 21.56 0.10 . 1 . . . . 38 THR CG2 . 16911 1 482 . 1 1 38 38 THR N N 15 113.00 0.10 . 1 . . . . 38 THR N . 16911 1 483 . 1 1 39 39 ASN H H 1 8.34 0.02 . 1 . . . . 39 ASN H . 16911 1 484 . 1 1 39 39 ASN HA H 1 4.72 0.02 . 1 . . . . 39 ASN HA . 16911 1 485 . 1 1 39 39 ASN HB2 H 1 2.86 0.02 . 2 . . . . 39 ASN HB# . 16911 1 486 . 1 1 39 39 ASN HB3 H 1 2.86 0.02 . 2 . . . . 39 ASN HB# . 16911 1 487 . 1 1 39 39 ASN HD21 H 1 7.61 0.02 . 1 . . . . 39 ASN HD21 . 16911 1 488 . 1 1 39 39 ASN HD22 H 1 6.93 0.02 . 1 . . . . 39 ASN HD22 . 16911 1 489 . 1 1 39 39 ASN CA C 13 53.75 0.10 . 1 . . . . 39 ASN CA . 16911 1 490 . 1 1 39 39 ASN CB C 13 38.96 0.10 . 1 . . . . 39 ASN CB . 16911 1 491 . 1 1 39 39 ASN N N 15 120.23 0.10 . 1 . . . . 39 ASN N . 16911 1 492 . 1 1 39 39 ASN ND2 N 15 112.84 0.10 . 1 . . . . 39 ASN ND2 . 16911 1 493 . 1 1 40 40 SER H H 1 8.16 0.02 . 1 . . . . 40 SER H . 16911 1 494 . 1 1 40 40 SER HA H 1 4.43 0.02 . 1 . . . . 40 SER HA . 16911 1 495 . 1 1 40 40 SER HB2 H 1 3.88 0.02 . 2 . . . . 40 SER HB# . 16911 1 496 . 1 1 40 40 SER HB3 H 1 3.88 0.02 . 2 . . . . 40 SER HB# . 16911 1 497 . 1 1 40 40 SER C C 13 173.94 0.10 . 1 . . . . 40 SER C . 16911 1 498 . 1 1 40 40 SER CA C 13 58.60 0.10 . 1 . . . . 40 SER CA . 16911 1 499 . 1 1 40 40 SER CB C 13 63.90 0.10 . 1 . . . . 40 SER CB . 16911 1 500 . 1 1 40 40 SER N N 15 114.84 0.10 . 1 . . . . 40 SER N . 16911 1 501 . 1 1 41 41 ASP H H 1 8.11 0.02 . 1 . . . . 41 ASP H . 16911 1 502 . 1 1 41 41 ASP HA H 1 4.89 0.02 . 1 . . . . 41 ASP HA . 16911 1 503 . 1 1 41 41 ASP HB2 H 1 2.60 0.02 . 1 . . . . 41 ASP HB2 . 16911 1 504 . 1 1 41 41 ASP HB3 H 1 2.78 0.02 . 1 . . . . 41 ASP HB3 . 16911 1 505 . 1 1 41 41 ASP CA C 13 52.94 0.10 . 1 . . . . 41 ASP CA . 16911 1 506 . 1 1 41 41 ASP CB C 13 41.66 0.10 . 1 . . . . 41 ASP CB . 16911 1 507 . 1 1 41 41 ASP N N 15 123.39 0.10 . 1 . . . . 41 ASP N . 16911 1 508 . 1 1 42 42 PRO HA H 1 4.47 0.02 . 1 . . . . 42 PRO HA . 16911 1 509 . 1 1 42 42 PRO HB2 H 1 1.98 0.02 . 1 . . . . 42 PRO HB2 . 16911 1 510 . 1 1 42 42 PRO HB3 H 1 2.35 0.02 . 1 . . . . 42 PRO HB3 . 16911 1 511 . 1 1 42 42 PRO HD2 H 1 3.81 0.02 . 1 . . . . 42 PRO HD2 . 16911 1 512 . 1 1 42 42 PRO HD3 H 1 3.88 0.02 . 1 . . . . 42 PRO HD3 . 16911 1 513 . 1 1 42 42 PRO HG2 H 1 2.04 0.02 . 2 . . . . 42 PRO HG# . 16911 1 514 . 1 1 42 42 PRO HG3 H 1 2.04 0.02 . 2 . . . . 42 PRO HG# . 16911 1 515 . 1 1 42 42 PRO C C 13 177.75 0.10 . 1 . . . . 42 PRO C . 16911 1 516 . 1 1 42 42 PRO CA C 13 63.99 0.10 . 1 . . . . 42 PRO CA . 16911 1 517 . 1 1 42 42 PRO CB C 13 32.21 0.10 . 1 . . . . 42 PRO CB . 16911 1 518 . 1 1 42 42 PRO CD C 13 50.83 0.10 . 1 . . . . 42 PRO CD . 16911 1 519 . 1 1 42 42 PRO CG C 13 27.41 0.10 . 1 . . . . 42 PRO CG . 16911 1 520 . 1 1 43 43 ILE H H 1 8.38 0.02 . 1 . . . . 43 ILE H . 16911 1 521 . 1 1 43 43 ILE HA H 1 4.12 0.02 . 1 . . . . 43 ILE HA . 16911 1 522 . 1 1 43 43 ILE HB H 1 1.97 0.02 . 1 . . . . 43 ILE HB . 16911 1 523 . 1 1 43 43 ILE HD11 H 1 0.88 0.02 . 1 . . . . 43 ILE HD1 . 16911 1 524 . 1 1 43 43 ILE HD12 H 1 0.88 0.02 . 1 . . . . 43 ILE HD1 . 16911 1 525 . 1 1 43 43 ILE HD13 H 1 0.88 0.02 . 1 . . . . 43 ILE HD1 . 16911 1 526 . 1 1 43 43 ILE HG12 H 1 1.28 0.02 . 1 . . . . 43 ILE HG12 . 16911 1 527 . 1 1 43 43 ILE HG13 H 1 1.48 0.02 . 1 . . . . 43 ILE HG13 . 16911 1 528 . 1 1 43 43 ILE HG21 H 1 0.90 0.02 . 1 . . . . 43 ILE HG2 . 16911 1 529 . 1 1 43 43 ILE HG22 H 1 0.90 0.02 . 1 . . . . 43 ILE HG2 . 16911 1 530 . 1 1 43 43 ILE HG23 H 1 0.90 0.02 . 1 . . . . 43 ILE HG2 . 16911 1 531 . 1 1 43 43 ILE C C 13 176.96 0.10 . 1 . . . . 43 ILE C . 16911 1 532 . 1 1 43 43 ILE CA C 13 62.04 0.10 . 1 . . . . 43 ILE CA . 16911 1 533 . 1 1 43 43 ILE CB C 13 38.14 0.10 . 1 . . . . 43 ILE CB . 16911 1 534 . 1 1 43 43 ILE CD1 C 13 12.98 0.10 . 1 . . . . 43 ILE CD1 . 16911 1 535 . 1 1 43 43 ILE CG1 C 13 28.13 0.10 . 1 . . . . 43 ILE CG1 . 16911 1 536 . 1 1 43 43 ILE CG2 C 13 17.86 0.10 . 1 . . . . 43 ILE CG2 . 16911 1 537 . 1 1 43 43 ILE N N 15 119.91 0.10 . 1 . . . . 43 ILE N . 16911 1 538 . 1 1 44 44 MET H H 1 8.14 0.02 . 1 . . . . 44 MET H . 16911 1 539 . 1 1 44 44 MET HA H 1 4.43 0.02 . 1 . . . . 44 MET HA . 16911 1 540 . 1 1 44 44 MET HB2 H 1 2.08 0.02 . 2 . . . . 44 MET HB# . 16911 1 541 . 1 1 44 44 MET HB3 H 1 2.08 0.02 . 2 . . . . 44 MET HB# . 16911 1 542 . 1 1 44 44 MET HE1 H 1 2.10 0.02 . 1 . . . . 44 MET HE . 16911 1 543 . 1 1 44 44 MET HE2 H 1 2.10 0.02 . 1 . . . . 44 MET HE . 16911 1 544 . 1 1 44 44 MET HE3 H 1 2.10 0.02 . 1 . . . . 44 MET HE . 16911 1 545 . 1 1 44 44 MET HG2 H 1 2.58 0.02 . 1 . . . . 44 MET HG2 . 16911 1 546 . 1 1 44 44 MET HG3 H 1 2.67 0.02 . 1 . . . . 44 MET HG3 . 16911 1 547 . 1 1 44 44 MET C C 13 176.50 0.10 . 1 . . . . 44 MET C . 16911 1 548 . 1 1 44 44 MET CA C 13 56.65 0.10 . 1 . . . . 44 MET CA . 16911 1 549 . 1 1 44 44 MET CB C 13 32.76 0.10 . 1 . . . . 44 MET CB . 16911 1 550 . 1 1 44 44 MET CE C 13 17.19 0.10 . 1 . . . . 44 MET CE . 16911 1 551 . 1 1 44 44 MET CG C 13 32.41 0.10 . 1 . . . . 44 MET CG . 16911 1 552 . 1 1 44 44 MET N N 15 120.75 0.10 . 1 . . . . 44 MET N . 16911 1 553 . 1 1 45 45 ASN H H 1 8.35 0.02 . 1 . . . . 45 ASN H . 16911 1 554 . 1 1 45 45 ASN HA H 1 4.75 0.02 . 1 . . . . 45 ASN HA . 16911 1 555 . 1 1 45 45 ASN HB2 H 1 2.95 0.02 . 2 . . . . 45 ASN HB# . 16911 1 556 . 1 1 45 45 ASN HB3 H 1 2.95 0.02 . 2 . . . . 45 ASN HB# . 16911 1 557 . 1 1 45 45 ASN HD21 H 1 7.18 0.02 . 1 . . . . 45 ASN HD21 . 16911 1 558 . 1 1 45 45 ASN HD22 H 1 6.94 0.02 . 1 . . . . 45 ASN HD22 . 16911 1 559 . 1 1 45 45 ASN C C 13 176.05 0.10 . 1 . . . . 45 ASN C . 16911 1 560 . 1 1 45 45 ASN CA C 13 53.74 0.10 . 1 . . . . 45 ASN CA . 16911 1 561 . 1 1 45 45 ASN CB C 13 38.96 0.10 . 1 . . . . 45 ASN CB . 16911 1 562 . 1 1 45 45 ASN N N 15 119.07 0.10 . 1 . . . . 45 ASN N . 16911 1 563 . 1 1 45 45 ASN ND2 N 15 112.79 0.10 . 1 . . . . 45 ASN ND2 . 16911 1 564 . 1 1 46 46 GLN H H 1 8.42 0.02 . 1 . . . . 46 GLN H . 16911 1 565 . 1 1 46 46 GLN HA H 1 4.22 0.02 . 1 . . . . 46 GLN HA . 16911 1 566 . 1 1 46 46 GLN HB2 H 1 2.14 0.02 . 2 . . . . 46 GLN HB# . 16911 1 567 . 1 1 46 46 GLN HB3 H 1 2.14 0.02 . 2 . . . . 46 GLN HB# . 16911 1 568 . 1 1 46 46 GLN HE21 H 1 7.36 0.02 . 1 . . . . 46 GLN HE21 . 16911 1 569 . 1 1 46 46 GLN HE22 H 1 6.89 0.02 . 1 . . . . 46 GLN HE22 . 16911 1 570 . 1 1 46 46 GLN HG2 H 1 2.39 0.02 . 2 . . . . 46 GLN HG# . 16911 1 571 . 1 1 46 46 GLN HG3 H 1 2.39 0.02 . 2 . . . . 46 GLN HG# . 16911 1 572 . 1 1 46 46 GLN C C 13 177.44 0.10 . 1 . . . . 46 GLN C . 16911 1 573 . 1 1 46 46 GLN CA C 13 58.50 0.10 . 1 . . . . 46 GLN CA . 16911 1 574 . 1 1 46 46 GLN CB C 13 29.05 0.10 . 1 . . . . 46 GLN CB . 16911 1 575 . 1 1 46 46 GLN CG C 13 34.00 0.10 . 1 . . . . 46 GLN CG . 16911 1 576 . 1 1 46 46 GLN N N 15 120.74 0.10 . 1 . . . . 46 GLN N . 16911 1 577 . 1 1 46 46 GLN NE2 N 15 110.91 0.10 . 1 . . . . 46 GLN NE2 . 16911 1 578 . 1 1 47 47 LEU H H 1 8.26 0.02 . 1 . . . . 47 LEU H . 16911 1 579 . 1 1 47 47 LEU HA H 1 4.17 0.02 . 1 . . . . 47 LEU HA . 16911 1 580 . 1 1 47 47 LEU HB2 H 1 1.89 0.02 . 1 . . . . 47 LEU HB2 . 16911 1 581 . 1 1 47 47 LEU HB3 H 1 1.73 0.02 . 1 . . . . 47 LEU HB3 . 16911 1 582 . 1 1 47 47 LEU HD11 H 1 0.94 0.02 . 1 . . . . 47 LEU HD1 . 16911 1 583 . 1 1 47 47 LEU HD12 H 1 0.94 0.02 . 1 . . . . 47 LEU HD1 . 16911 1 584 . 1 1 47 47 LEU HD13 H 1 0.94 0.02 . 1 . . . . 47 LEU HD1 . 16911 1 585 . 1 1 47 47 LEU HD21 H 1 1.03 0.02 . 1 . . . . 47 LEU HD2 . 16911 1 586 . 1 1 47 47 LEU HD22 H 1 1.03 0.02 . 1 . . . . 47 LEU HD2 . 16911 1 587 . 1 1 47 47 LEU HD23 H 1 1.03 0.02 . 1 . . . . 47 LEU HD2 . 16911 1 588 . 1 1 47 47 LEU HG H 1 1.85 0.02 . 1 . . . . 47 LEU HG . 16911 1 589 . 1 1 47 47 LEU C C 13 178.71 0.10 . 1 . . . . 47 LEU C . 16911 1 590 . 1 1 47 47 LEU CA C 13 58.17 0.10 . 1 . . . . 47 LEU CA . 16911 1 591 . 1 1 47 47 LEU CB C 13 41.45 0.10 . 1 . . . . 47 LEU CB . 16911 1 592 . 1 1 47 47 LEU CD1 C 13 24.08 0.10 . 1 . . . . 47 LEU CD1 . 16911 1 593 . 1 1 47 47 LEU CD2 C 13 24.86 0.10 . 1 . . . . 47 LEU CD2 . 16911 1 594 . 1 1 47 47 LEU CG C 13 27.30 0.10 . 1 . . . . 47 LEU CG . 16911 1 595 . 1 1 47 47 LEU N N 15 119.96 0.10 . 1 . . . . 47 LEU N . 16911 1 596 . 1 1 48 48 ASP H H 1 8.14 0.02 . 1 . . . . 48 ASP H . 16911 1 597 . 1 1 48 48 ASP HA H 1 4.54 0.02 . 1 . . . . 48 ASP HA . 16911 1 598 . 1 1 48 48 ASP HB2 H 1 2.76 0.02 . 2 . . . . 48 ASP HB# . 16911 1 599 . 1 1 48 48 ASP HB3 H 1 2.76 0.02 . 2 . . . . 48 ASP HB# . 16911 1 600 . 1 1 48 48 ASP C C 13 179.28 0.10 . 1 . . . . 48 ASP C . 16911 1 601 . 1 1 48 48 ASP CA C 13 57.66 0.10 . 1 . . . . 48 ASP CA . 16911 1 602 . 1 1 48 48 ASP CB C 13 40.86 0.10 . 1 . . . . 48 ASP CB . 16911 1 603 . 1 1 48 48 ASP N N 15 118.92 0.10 . 1 . . . . 48 ASP N . 16911 1 604 . 1 1 49 49 LEU H H 1 7.90 0.02 . 1 . . . . 49 LEU H . 16911 1 605 . 1 1 49 49 LEU HA H 1 4.21 0.02 . 1 . . . . 49 LEU HA . 16911 1 606 . 1 1 49 49 LEU HB2 H 1 2.05 0.02 . 1 . . . . 49 LEU HB2 . 16911 1 607 . 1 1 49 49 LEU HB3 H 1 1.75 0.02 . 1 . . . . 49 LEU HB3 . 16911 1 608 . 1 1 49 49 LEU HD11 H 1 1.01 0.02 . 1 . . . . 49 LEU HD1 . 16911 1 609 . 1 1 49 49 LEU HD12 H 1 1.01 0.02 . 1 . . . . 49 LEU HD1 . 16911 1 610 . 1 1 49 49 LEU HD13 H 1 1.01 0.02 . 1 . . . . 49 LEU HD1 . 16911 1 611 . 1 1 49 49 LEU HD21 H 1 1.02 0.02 . 1 . . . . 49 LEU HD2 . 16911 1 612 . 1 1 49 49 LEU HD22 H 1 1.02 0.02 . 1 . . . . 49 LEU HD2 . 16911 1 613 . 1 1 49 49 LEU HD23 H 1 1.02 0.02 . 1 . . . . 49 LEU HD2 . 16911 1 614 . 1 1 49 49 LEU HG H 1 1.89 0.02 . 1 . . . . 49 LEU HG . 16911 1 615 . 1 1 49 49 LEU C C 13 180.30 0.10 . 1 . . . . 49 LEU C . 16911 1 616 . 1 1 49 49 LEU CA C 13 58.20 0.10 . 1 . . . . 49 LEU CA . 16911 1 617 . 1 1 49 49 LEU CB C 13 41.97 0.10 . 1 . . . . 49 LEU CB . 16911 1 618 . 1 1 49 49 LEU CD1 C 13 25.77 0.10 . 1 . . . . 49 LEU CD1 . 16911 1 619 . 1 1 49 49 LEU CD2 C 13 23.68 0.10 . 1 . . . . 49 LEU CD2 . 16911 1 620 . 1 1 49 49 LEU CG C 13 27.13 0.10 . 1 . . . . 49 LEU CG . 16911 1 621 . 1 1 49 49 LEU N N 15 119.57 0.10 . 1 . . . . 49 LEU N . 16911 1 622 . 1 1 50 50 LEU H H 1 8.28 0.02 . 1 . . . . 50 LEU H . 16911 1 623 . 1 1 50 50 LEU HA H 1 4.23 0.02 . 1 . . . . 50 LEU HA . 16911 1 624 . 1 1 50 50 LEU HB2 H 1 1.40 0.02 . 1 . . . . 50 LEU HB2 . 16911 1 625 . 1 1 50 50 LEU HB3 H 1 2.00 0.02 . 1 . . . . 50 LEU HB3 . 16911 1 626 . 1 1 50 50 LEU HD11 H 1 0.75 0.02 . 1 . . . . 50 LEU HD1 . 16911 1 627 . 1 1 50 50 LEU HD12 H 1 0.75 0.02 . 1 . . . . 50 LEU HD1 . 16911 1 628 . 1 1 50 50 LEU HD13 H 1 0.75 0.02 . 1 . . . . 50 LEU HD1 . 16911 1 629 . 1 1 50 50 LEU HD21 H 1 0.60 0.02 . 1 . . . . 50 LEU HD2 . 16911 1 630 . 1 1 50 50 LEU HD22 H 1 0.60 0.02 . 1 . . . . 50 LEU HD2 . 16911 1 631 . 1 1 50 50 LEU HD23 H 1 0.60 0.02 . 1 . . . . 50 LEU HD2 . 16911 1 632 . 1 1 50 50 LEU HG H 1 1.71 0.02 . 1 . . . . 50 LEU HG . 16911 1 633 . 1 1 50 50 LEU C C 13 179.16 0.10 . 1 . . . . 50 LEU C . 16911 1 634 . 1 1 50 50 LEU CA C 13 58.71 0.10 . 1 . . . . 50 LEU CA . 16911 1 635 . 1 1 50 50 LEU CB C 13 42.11 0.10 . 1 . . . . 50 LEU CB . 16911 1 636 . 1 1 50 50 LEU CD1 C 13 25.42 0.10 . 1 . . . . 50 LEU CD1 . 16911 1 637 . 1 1 50 50 LEU CD2 C 13 25.26 0.10 . 1 . . . . 50 LEU CD2 . 16911 1 638 . 1 1 50 50 LEU CG C 13 27.71 0.10 . 1 . . . . 50 LEU CG . 16911 1 639 . 1 1 50 50 LEU N N 15 122.35 0.10 . 1 . . . . 50 LEU N . 16911 1 640 . 1 1 51 51 HIS H H 1 8.55 0.02 . 1 . . . . 51 HIS H . 16911 1 641 . 1 1 51 51 HIS HA H 1 4.13 0.02 . 1 . . . . 51 HIS HA . 16911 1 642 . 1 1 51 51 HIS HB2 H 1 3.13 0.02 . 1 . . . . 51 HIS HB2 . 16911 1 643 . 1 1 51 51 HIS HB3 H 1 3.28 0.02 . 1 . . . . 51 HIS HB3 . 16911 1 644 . 1 1 51 51 HIS HD2 H 1 7.10 0.02 . 1 . . . . 51 HIS HD2 . 16911 1 645 . 1 1 51 51 HIS HE1 H 1 7.67 0.02 . 1 . . . . 51 HIS HE1 . 16911 1 646 . 1 1 51 51 HIS C C 13 177.86 0.10 . 1 . . . . 51 HIS C . 16911 1 647 . 1 1 51 51 HIS CA C 13 62.68 0.10 . 1 . . . . 51 HIS CA . 16911 1 648 . 1 1 51 51 HIS CB C 13 31.50 0.10 . 1 . . . . 51 HIS CB . 16911 1 649 . 1 1 51 51 HIS CD2 C 13 117.56 0.10 . 1 . . . . 51 HIS CD2 . 16911 1 650 . 1 1 51 51 HIS CE1 C 13 138.13 0.10 . 1 . . . . 51 HIS CE1 . 16911 1 651 . 1 1 51 51 HIS N N 15 118.41 0.10 . 1 . . . . 51 HIS N . 16911 1 652 . 1 1 52 52 LYS H H 1 8.14 0.02 . 1 . . . . 52 LYS H . 16911 1 653 . 1 1 52 52 LYS HA H 1 4.26 0.02 . 1 . . . . 52 LYS HA . 16911 1 654 . 1 1 52 52 LYS HB2 H 1 2.08 0.02 . 2 . . . . 52 LYS HB# . 16911 1 655 . 1 1 52 52 LYS HB3 H 1 2.08 0.02 . 2 . . . . 52 LYS HB# . 16911 1 656 . 1 1 52 52 LYS HD2 H 1 1.82 0.02 . 2 . . . . 52 LYS HD# . 16911 1 657 . 1 1 52 52 LYS HD3 H 1 1.82 0.02 . 2 . . . . 52 LYS HD# . 16911 1 658 . 1 1 52 52 LYS HE2 H 1 3.06 0.02 . 2 . . . . 52 LYS HE# . 16911 1 659 . 1 1 52 52 LYS HE3 H 1 3.06 0.02 . 2 . . . . 52 LYS HE# . 16911 1 660 . 1 1 52 52 LYS HG2 H 1 1.59 0.02 . 1 . . . . 52 LYS HG2 . 16911 1 661 . 1 1 52 52 LYS HG3 H 1 1.75 0.02 . 1 . . . . 52 LYS HG3 . 16911 1 662 . 1 1 52 52 LYS C C 13 179.53 0.10 . 1 . . . . 52 LYS C . 16911 1 663 . 1 1 52 52 LYS CA C 13 59.88 0.10 . 1 . . . . 52 LYS CA . 16911 1 664 . 1 1 52 52 LYS CB C 13 32.73 0.10 . 1 . . . . 52 LYS CB . 16911 1 665 . 1 1 52 52 LYS CD C 13 29.39 0.10 . 1 . . . . 52 LYS CD . 16911 1 666 . 1 1 52 52 LYS CE C 13 42.26 0.10 . 1 . . . . 52 LYS CE . 16911 1 667 . 1 1 52 52 LYS CG C 13 25.82 0.10 . 1 . . . . 52 LYS CG . 16911 1 668 . 1 1 52 52 LYS N N 15 118.23 0.10 . 1 . . . . 52 LYS N . 16911 1 669 . 1 1 53 53 TRP H H 1 8.42 0.02 . 1 . . . . 53 TRP H . 16911 1 670 . 1 1 53 53 TRP HA H 1 4.18 0.02 . 1 . . . . 53 TRP HA . 16911 1 671 . 1 1 53 53 TRP HB2 H 1 3.60 0.02 . 1 . . . . 53 TRP HB2 . 16911 1 672 . 1 1 53 53 TRP HB3 H 1 3.78 0.02 . 1 . . . . 53 TRP HB3 . 16911 1 673 . 1 1 53 53 TRP HD1 H 1 7.53 0.02 . 1 . . . . 53 TRP HD1 . 16911 1 674 . 1 1 53 53 TRP HE1 H 1 10.62 0.02 . 1 . . . . 53 TRP HE1 . 16911 1 675 . 1 1 53 53 TRP HE3 H 1 7.31 0.02 . 1 . . . . 53 TRP HE3 . 16911 1 676 . 1 1 53 53 TRP HH2 H 1 7.21 0.02 . 1 . . . . 53 TRP HH2 . 16911 1 677 . 1 1 53 53 TRP HZ2 H 1 7.08 0.02 . 1 . . . . 53 TRP HZ2 . 16911 1 678 . 1 1 53 53 TRP HZ3 H 1 7.17 0.02 . 1 . . . . 53 TRP HZ3 . 16911 1 679 . 1 1 53 53 TRP C C 13 179.00 0.10 . 1 . . . . 53 TRP C . 16911 1 680 . 1 1 53 53 TRP CA C 13 62.96 0.10 . 1 . . . . 53 TRP CA . 16911 1 681 . 1 1 53 53 TRP CB C 13 29.45 0.10 . 1 . . . . 53 TRP CB . 16911 1 682 . 1 1 53 53 TRP CD1 C 13 127.50 0.10 . 1 . . . . 53 TRP CD1 . 16911 1 683 . 1 1 53 53 TRP CE3 C 13 120.31 0.10 . 1 . . . . 53 TRP CE3 . 16911 1 684 . 1 1 53 53 TRP CH2 C 13 123.92 0.10 . 1 . . . . 53 TRP CH2 . 16911 1 685 . 1 1 53 53 TRP CZ2 C 13 113.94 0.10 . 1 . . . . 53 TRP CZ2 . 16911 1 686 . 1 1 53 53 TRP CZ3 C 13 124.37 0.10 . 1 . . . . 53 TRP CZ3 . 16911 1 687 . 1 1 53 53 TRP N N 15 121.33 0.10 . 1 . . . . 53 TRP N . 16911 1 688 . 1 1 53 53 TRP NE1 N 15 130.37 0.10 . 1 . . . . 53 TRP NE1 . 16911 1 689 . 1 1 54 54 LEU H H 1 9.29 0.02 . 1 . . . . 54 LEU H . 16911 1 690 . 1 1 54 54 LEU HA H 1 3.79 0.02 . 1 . . . . 54 LEU HA . 16911 1 691 . 1 1 54 54 LEU HB2 H 1 1.28 0.02 . 1 . . . . 54 LEU HB2 . 16911 1 692 . 1 1 54 54 LEU HB3 H 1 2.17 0.02 . 1 . . . . 54 LEU HB3 . 16911 1 693 . 1 1 54 54 LEU HD11 H 1 0.37 0.02 . 1 . . . . 54 LEU HD1 . 16911 1 694 . 1 1 54 54 LEU HD12 H 1 0.37 0.02 . 1 . . . . 54 LEU HD1 . 16911 1 695 . 1 1 54 54 LEU HD13 H 1 0.37 0.02 . 1 . . . . 54 LEU HD1 . 16911 1 696 . 1 1 54 54 LEU HD21 H 1 0.63 0.02 . 1 . . . . 54 LEU HD2 . 16911 1 697 . 1 1 54 54 LEU HD22 H 1 0.63 0.02 . 1 . . . . 54 LEU HD2 . 16911 1 698 . 1 1 54 54 LEU HD23 H 1 0.63 0.02 . 1 . . . . 54 LEU HD2 . 16911 1 699 . 1 1 54 54 LEU HG H 1 1.91 0.02 . 1 . . . . 54 LEU HG . 16911 1 700 . 1 1 54 54 LEU C C 13 179.82 0.10 . 1 . . . . 54 LEU C . 16911 1 701 . 1 1 54 54 LEU CA C 13 59.10 0.10 . 1 . . . . 54 LEU CA . 16911 1 702 . 1 1 54 54 LEU CB C 13 42.33 0.10 . 1 . . . . 54 LEU CB . 16911 1 703 . 1 1 54 54 LEU CD1 C 13 23.78 0.10 . 1 . . . . 54 LEU CD1 . 16911 1 704 . 1 1 54 54 LEU CD2 C 13 25.20 0.10 . 1 . . . . 54 LEU CD2 . 16911 1 705 . 1 1 54 54 LEU CG C 13 27.86 0.10 . 1 . . . . 54 LEU CG . 16911 1 706 . 1 1 54 54 LEU N N 15 122.23 0.10 . 1 . . . . 54 LEU N . 16911 1 707 . 1 1 55 55 ASP H H 1 9.15 0.02 . 1 . . . . 55 ASP H . 16911 1 708 . 1 1 55 55 ASP HA H 1 4.75 0.02 . 1 . . . . 55 ASP HA . 16911 1 709 . 1 1 55 55 ASP HB2 H 1 2.96 0.02 . 1 . . . . 55 ASP HB2 . 16911 1 710 . 1 1 55 55 ASP HB3 H 1 2.78 0.02 . 1 . . . . 55 ASP HB3 . 16911 1 711 . 1 1 55 55 ASP C C 13 179.78 0.10 . 1 . . . . 55 ASP C . 16911 1 712 . 1 1 55 55 ASP CA C 13 58.45 0.10 . 1 . . . . 55 ASP CA . 16911 1 713 . 1 1 55 55 ASP CB C 13 39.42 0.10 . 1 . . . . 55 ASP CB . 16911 1 714 . 1 1 55 55 ASP N N 15 119.72 0.10 . 1 . . . . 55 ASP N . 16911 1 715 . 1 1 56 56 ARG H H 1 7.62 0.02 . 1 . . . . 56 ARG H . 16911 1 716 . 1 1 56 56 ARG HA H 1 4.17 0.02 . 1 . . . . 56 ARG HA . 16911 1 717 . 1 1 56 56 ARG HB2 H 1 1.63 0.02 . 1 . . . . 56 ARG HB2 . 16911 1 718 . 1 1 56 56 ARG HB3 H 1 1.76 0.02 . 1 . . . . 56 ARG HB3 . 16911 1 719 . 1 1 56 56 ARG HD2 H 1 3.11 0.02 . 2 . . . . 56 ARG HD# . 16911 1 720 . 1 1 56 56 ARG HD3 H 1 3.11 0.02 . 2 . . . . 56 ARG HD# . 16911 1 721 . 1 1 56 56 ARG HG2 H 1 1.59 0.02 . 2 . . . . 56 ARG HG# . 16911 1 722 . 1 1 56 56 ARG HG3 H 1 1.59 0.02 . 2 . . . . 56 ARG HG# . 16911 1 723 . 1 1 56 56 ARG C C 13 176.89 0.10 . 1 . . . . 56 ARG C . 16911 1 724 . 1 1 56 56 ARG CA C 13 58.21 0.10 . 1 . . . . 56 ARG CA . 16911 1 725 . 1 1 56 56 ARG CB C 13 29.70 0.10 . 1 . . . . 56 ARG CB . 16911 1 726 . 1 1 56 56 ARG CD C 13 43.80 0.10 . 1 . . . . 56 ARG CD . 16911 1 727 . 1 1 56 56 ARG CG C 13 27.51 0.10 . 1 . . . . 56 ARG CG . 16911 1 728 . 1 1 56 56 ARG N N 15 119.30 0.10 . 1 . . . . 56 ARG N . 16911 1 729 . 1 1 57 57 HIS H H 1 8.09 0.02 . 1 . . . . 57 HIS H . 16911 1 730 . 1 1 57 57 HIS HA H 1 4.55 0.02 . 1 . . . . 57 HIS HA . 16911 1 731 . 1 1 57 57 HIS HB2 H 1 2.59 0.02 . 1 . . . . 57 HIS HB2 . 16911 1 732 . 1 1 57 57 HIS HB3 H 1 3.35 0.02 . 1 . . . . 57 HIS HB3 . 16911 1 733 . 1 1 57 57 HIS HD2 H 1 6.65 0.02 . 1 . . . . 57 HIS HD2 . 16911 1 734 . 1 1 57 57 HIS C C 13 174.56 0.10 . 1 . . . . 57 HIS C . 16911 1 735 . 1 1 57 57 HIS CA C 13 57.49 0.10 . 1 . . . . 57 HIS CA . 16911 1 736 . 1 1 57 57 HIS CB C 13 29.23 0.10 . 1 . . . . 57 HIS CB . 16911 1 737 . 1 1 57 57 HIS CD2 C 13 122.61 0.10 . 1 . . . . 57 HIS CD2 . 16911 1 738 . 1 1 57 57 HIS N N 15 116.22 0.10 . 1 . . . . 57 HIS N . 16911 1 739 . 1 1 58 58 ARG H H 1 7.19 0.02 . 1 . . . . 58 ARG H . 16911 1 740 . 1 1 58 58 ARG HA H 1 3.11 0.02 . 1 . . . . 58 ARG HA . 16911 1 741 . 1 1 58 58 ARG HB2 H 1 1.44 0.02 . 1 . . . . 58 ARG HB2 . 16911 1 742 . 1 1 58 58 ARG HB3 H 1 0.95 0.02 . 1 . . . . 58 ARG HB3 . 16911 1 743 . 1 1 58 58 ARG HD2 H 1 1.48 0.02 . 1 . . . . 58 ARG HD2 . 16911 1 744 . 1 1 58 58 ARG HD3 H 1 2.39 0.02 . 1 . . . . 58 ARG HD3 . 16911 1 745 . 1 1 58 58 ARG HE H 1 7.03 0.02 . 1 . . . . 58 ARG HE . 16911 1 746 . 1 1 58 58 ARG HG2 H 1 -0.17 0.02 . 1 . . . . 58 ARG HG2 . 16911 1 747 . 1 1 58 58 ARG HG3 H 1 0.93 0.02 . 1 . . . . 58 ARG HG3 . 16911 1 748 . 1 1 58 58 ARG C C 13 177.15 0.10 . 1 . . . . 58 ARG C . 16911 1 749 . 1 1 58 58 ARG CA C 13 60.53 0.10 . 1 . . . . 58 ARG CA . 16911 1 750 . 1 1 58 58 ARG CB C 13 30.64 0.10 . 1 . . . . 58 ARG CB . 16911 1 751 . 1 1 58 58 ARG CD C 13 43.59 0.10 . 1 . . . . 58 ARG CD . 16911 1 752 . 1 1 58 58 ARG CG C 13 26.14 0.10 . 1 . . . . 58 ARG CG . 16911 1 753 . 1 1 58 58 ARG N N 15 123.54 0.10 . 1 . . . . 58 ARG N . 16911 1 754 . 1 1 58 58 ARG NE N 15 85.25 0.10 . 1 . . . . 58 ARG NE . 16911 1 755 . 1 1 59 59 ASP H H 1 8.30 0.02 . 1 . . . . 59 ASP H . 16911 1 756 . 1 1 59 59 ASP HA H 1 4.15 0.02 . 1 . . . . 59 ASP HA . 16911 1 757 . 1 1 59 59 ASP HB2 H 1 2.52 0.02 . 2 . . . . 59 ASP HB# . 16911 1 758 . 1 1 59 59 ASP HB3 H 1 2.52 0.02 . 2 . . . . 59 ASP HB# . 16911 1 759 . 1 1 59 59 ASP C C 13 178.43 0.10 . 1 . . . . 59 ASP C . 16911 1 760 . 1 1 59 59 ASP CA C 13 56.95 0.10 . 1 . . . . 59 ASP CA . 16911 1 761 . 1 1 59 59 ASP CB C 13 39.88 0.10 . 1 . . . . 59 ASP CB . 16911 1 762 . 1 1 59 59 ASP N N 15 116.63 0.10 . 1 . . . . 59 ASP N . 16911 1 763 . 1 1 60 60 MET H H 1 7.69 0.02 . 1 . . . . 60 MET H . 16911 1 764 . 1 1 60 60 MET HA H 1 3.94 0.02 . 1 . . . . 60 MET HA . 16911 1 765 . 1 1 60 60 MET HB2 H 1 1.98 0.02 . 1 . . . . 60 MET HB2 . 16911 1 766 . 1 1 60 60 MET HB3 H 1 2.10 0.02 . 1 . . . . 60 MET HB3 . 16911 1 767 . 1 1 60 60 MET HE1 H 1 2.06 0.02 . 1 . . . . 60 MET HE . 16911 1 768 . 1 1 60 60 MET HE2 H 1 2.06 0.02 . 1 . . . . 60 MET HE . 16911 1 769 . 1 1 60 60 MET HE3 H 1 2.06 0.02 . 1 . . . . 60 MET HE . 16911 1 770 . 1 1 60 60 MET HG2 H 1 2.43 0.02 . 1 . . . . 60 MET HG2 . 16911 1 771 . 1 1 60 60 MET HG3 H 1 2.58 0.02 . 1 . . . . 60 MET HG3 . 16911 1 772 . 1 1 60 60 MET C C 13 177.77 0.10 . 1 . . . . 60 MET C . 16911 1 773 . 1 1 60 60 MET CA C 13 58.22 0.10 . 1 . . . . 60 MET CA . 16911 1 774 . 1 1 60 60 MET CB C 13 32.45 0.10 . 1 . . . . 60 MET CB . 16911 1 775 . 1 1 60 60 MET CE C 13 17.02 0.10 . 1 . . . . 60 MET CE . 16911 1 776 . 1 1 60 60 MET CG C 13 31.96 0.10 . 1 . . . . 60 MET CG . 16911 1 777 . 1 1 60 60 MET N N 15 119.28 0.10 . 1 . . . . 60 MET N . 16911 1 778 . 1 1 61 61 CYS H H 1 7.77 0.02 . 1 . . . . 61 CYS H . 16911 1 779 . 1 1 61 61 CYS HA H 1 4.24 0.02 . 1 . . . . 61 CYS HA . 16911 1 780 . 1 1 61 61 CYS HB2 H 1 2.90 0.02 . 1 . . . . 61 CYS HB2 . 16911 1 781 . 1 1 61 61 CYS HB3 H 1 3.34 0.02 . 1 . . . . 61 CYS HB3 . 16911 1 782 . 1 1 61 61 CYS C C 13 175.79 0.10 . 1 . . . . 61 CYS C . 16911 1 783 . 1 1 61 61 CYS CA C 13 62.63 0.10 . 1 . . . . 61 CYS CA . 16911 1 784 . 1 1 61 61 CYS CB C 13 27.66 0.10 . 1 . . . . 61 CYS CB . 16911 1 785 . 1 1 61 61 CYS N N 15 116.17 0.10 . 1 . . . . 61 CYS N . 16911 1 786 . 1 1 62 62 GLU H H 1 7.81 0.02 . 1 . . . . 62 GLU H . 16911 1 787 . 1 1 62 62 GLU HA H 1 3.85 0.02 . 1 . . . . 62 GLU HA . 16911 1 788 . 1 1 62 62 GLU HB2 H 1 1.88 0.02 . 2 . . . . 62 GLU HB# . 16911 1 789 . 1 1 62 62 GLU HB3 H 1 1.88 0.02 . 2 . . . . 62 GLU HB# . 16911 1 790 . 1 1 62 62 GLU HG2 H 1 1.88 0.02 . 1 . . . . 62 GLU HG2 . 16911 1 791 . 1 1 62 62 GLU HG3 H 1 2.28 0.02 . 1 . . . . 62 GLU HG3 . 16911 1 792 . 1 1 62 62 GLU C C 13 177.25 0.10 . 1 . . . . 62 GLU C . 16911 1 793 . 1 1 62 62 GLU CA C 13 58.14 0.10 . 1 . . . . 62 GLU CA . 16911 1 794 . 1 1 62 62 GLU CB C 13 29.32 0.10 . 1 . . . . 62 GLU CB . 16911 1 795 . 1 1 62 62 GLU CG C 13 37.42 0.10 . 1 . . . . 62 GLU CG . 16911 1 796 . 1 1 62 62 GLU N N 15 117.83 0.10 . 1 . . . . 62 GLU N . 16911 1 797 . 1 1 63 63 LYS H H 1 7.25 0.02 . 1 . . . . 63 LYS H . 16911 1 798 . 1 1 63 63 LYS HA H 1 4.01 0.02 . 1 . . . . 63 LYS HA . 16911 1 799 . 1 1 63 63 LYS HB2 H 1 1.40 0.02 . 1 . . . . 63 LYS HB2 . 16911 1 800 . 1 1 63 63 LYS HB3 H 1 1.47 0.02 . 1 . . . . 63 LYS HB3 . 16911 1 801 . 1 1 63 63 LYS HD2 H 1 1.46 0.02 . 2 . . . . 63 LYS HD# . 16911 1 802 . 1 1 63 63 LYS HD3 H 1 1.46 0.02 . 2 . . . . 63 LYS HD# . 16911 1 803 . 1 1 63 63 LYS HE2 H 1 2.83 0.02 . 2 . . . . 63 LYS HE# . 16911 1 804 . 1 1 63 63 LYS HE3 H 1 2.83 0.02 . 2 . . . . 63 LYS HE# . 16911 1 805 . 1 1 63 63 LYS HG2 H 1 1.22 0.02 . 1 . . . . 63 LYS HG2 . 16911 1 806 . 1 1 63 63 LYS HG3 H 1 1.14 0.02 . 1 . . . . 63 LYS HG3 . 16911 1 807 . 1 1 63 63 LYS C C 13 176.97 0.10 . 1 . . . . 63 LYS C . 16911 1 808 . 1 1 63 63 LYS CA C 13 57.35 0.10 . 1 . . . . 63 LYS CA . 16911 1 809 . 1 1 63 63 LYS CB C 13 32.27 0.10 . 1 . . . . 63 LYS CB . 16911 1 810 . 1 1 63 63 LYS CD C 13 28.98 0.10 . 1 . . . . 63 LYS CD . 16911 1 811 . 1 1 63 63 LYS CE C 13 42.13 0.10 . 1 . . . . 63 LYS CE . 16911 1 812 . 1 1 63 63 LYS CG C 13 24.95 0.10 . 1 . . . . 63 LYS CG . 16911 1 813 . 1 1 63 63 LYS N N 15 117.23 0.10 . 1 . . . . 63 LYS N . 16911 1 814 . 1 1 64 64 TRP H H 1 7.57 0.02 . 1 . . . . 64 TRP H . 16911 1 815 . 1 1 64 64 TRP HA H 1 4.86 0.02 . 1 . . . . 64 TRP HA . 16911 1 816 . 1 1 64 64 TRP HB2 H 1 3.34 0.02 . 2 . . . . 64 TRP HB# . 16911 1 817 . 1 1 64 64 TRP HB3 H 1 3.34 0.02 . 2 . . . . 64 TRP HB# . 16911 1 818 . 1 1 64 64 TRP HD1 H 1 7.33 0.02 . 1 . . . . 64 TRP HD1 . 16911 1 819 . 1 1 64 64 TRP HE1 H 1 10.24 0.02 . 1 . . . . 64 TRP HE1 . 16911 1 820 . 1 1 64 64 TRP HE3 H 1 7.74 0.02 . 1 . . . . 64 TRP HE3 . 16911 1 821 . 1 1 64 64 TRP HH2 H 1 7.16 0.02 . 1 . . . . 64 TRP HH2 . 16911 1 822 . 1 1 64 64 TRP HZ2 H 1 7.52 0.02 . 1 . . . . 64 TRP HZ2 . 16911 1 823 . 1 1 64 64 TRP HZ3 H 1 7.13 0.02 . 1 . . . . 64 TRP HZ3 . 16911 1 824 . 1 1 64 64 TRP CA C 13 56.82 0.10 . 1 . . . . 64 TRP CA . 16911 1 825 . 1 1 64 64 TRP CB C 13 30.57 0.10 . 1 . . . . 64 TRP CB . 16911 1 826 . 1 1 64 64 TRP CD1 C 13 125.87 0.10 . 1 . . . . 64 TRP CD1 . 16911 1 827 . 1 1 64 64 TRP CE3 C 13 121.45 0.10 . 1 . . . . 64 TRP CE3 . 16911 1 828 . 1 1 64 64 TRP CH2 C 13 124.34 0.10 . 1 . . . . 64 TRP CH2 . 16911 1 829 . 1 1 64 64 TRP CZ2 C 13 114.54 0.10 . 1 . . . . 64 TRP CZ2 . 16911 1 830 . 1 1 64 64 TRP CZ3 C 13 122.21 0.10 . 1 . . . . 64 TRP CZ3 . 16911 1 831 . 1 1 64 64 TRP N N 15 119.42 0.10 . 1 . . . . 64 TRP N . 16911 1 832 . 1 1 64 64 TRP NE1 N 15 128.83 0.10 . 1 . . . . 64 TRP NE1 . 16911 1 833 . 1 1 65 65 LYS H H 1 7.19 0.02 . 1 . . . . 65 LYS H . 16911 1 834 . 1 1 65 65 LYS HA H 1 4.32 0.02 . 1 . . . . 65 LYS HA . 16911 1 835 . 1 1 65 65 LYS HB2 H 1 1.89 0.02 . 1 . . . . 65 LYS HB2 . 16911 1 836 . 1 1 65 65 LYS HB3 H 1 1.96 0.02 . 1 . . . . 65 LYS HB3 . 16911 1 837 . 1 1 65 65 LYS HD2 H 1 1.57 0.02 . 2 . . . . 65 LYS HD# . 16911 1 838 . 1 1 65 65 LYS HD3 H 1 1.57 0.02 . 2 . . . . 65 LYS HD# . 16911 1 839 . 1 1 65 65 LYS HE2 H 1 2.93 0.02 . 2 . . . . 65 LYS HE# . 16911 1 840 . 1 1 65 65 LYS HE3 H 1 2.93 0.02 . 2 . . . . 65 LYS HE# . 16911 1 841 . 1 1 65 65 LYS HG2 H 1 1.39 0.02 . 2 . . . . 65 LYS HG# . 16911 1 842 . 1 1 65 65 LYS HG3 H 1 1.39 0.02 . 2 . . . . 65 LYS HG# . 16911 1 843 . 1 1 65 65 LYS C C 13 176.65 0.10 . 1 . . . . 65 LYS C . 16911 1 844 . 1 1 65 65 LYS CA C 13 58.50 0.10 . 1 . . . . 65 LYS CA . 16911 1 845 . 1 1 65 65 LYS CB C 13 33.49 0.10 . 1 . . . . 65 LYS CB . 16911 1 846 . 1 1 65 65 LYS CD C 13 29.09 0.10 . 1 . . . . 65 LYS CD . 16911 1 847 . 1 1 65 65 LYS CE C 13 41.92 0.10 . 1 . . . . 65 LYS CE . 16911 1 848 . 1 1 65 65 LYS CG C 13 24.94 0.10 . 1 . . . . 65 LYS CG . 16911 1 849 . 1 1 65 65 LYS N N 15 116.09 0.10 . 1 . . . . 65 LYS N . 16911 1 850 . 1 1 66 66 SER H H 1 8.40 0.02 . 1 . . . . 66 SER H . 16911 1 851 . 1 1 66 66 SER HA H 1 4.67 0.02 . 1 . . . . 66 SER HA . 16911 1 852 . 1 1 66 66 SER HB2 H 1 4.21 0.02 . 1 . . . . 66 SER HB2 . 16911 1 853 . 1 1 66 66 SER HB3 H 1 4.06 0.02 . 1 . . . . 66 SER HB3 . 16911 1 854 . 1 1 66 66 SER CA C 13 57.79 0.10 . 1 . . . . 66 SER CA . 16911 1 855 . 1 1 66 66 SER CB C 13 64.61 0.10 . 1 . . . . 66 SER CB . 16911 1 856 . 1 1 66 66 SER N N 15 114.66 0.10 . 1 . . . . 66 SER N . 16911 1 857 . 1 1 67 67 LYS H H 1 8.94 0.02 . 1 . . . . 67 LYS H . 16911 1 858 . 1 1 67 67 LYS HA H 1 4.14 0.02 . 1 . . . . 67 LYS HA . 16911 1 859 . 1 1 67 67 LYS HB2 H 1 1.99 0.02 . 1 . . . . 67 LYS HB2 . 16911 1 860 . 1 1 67 67 LYS HB3 H 1 1.93 0.02 . 1 . . . . 67 LYS HB3 . 16911 1 861 . 1 1 67 67 LYS HD2 H 1 1.72 0.02 . 2 . . . . 67 LYS HD# . 16911 1 862 . 1 1 67 67 LYS HD3 H 1 1.72 0.02 . 2 . . . . 67 LYS HD# . 16911 1 863 . 1 1 67 67 LYS HE2 H 1 2.96 0.02 . 2 . . . . 67 LYS HE# . 16911 1 864 . 1 1 67 67 LYS HE3 H 1 2.96 0.02 . 2 . . . . 67 LYS HE# . 16911 1 865 . 1 1 67 67 LYS HG2 H 1 1.53 0.02 . 1 . . . . 67 LYS HG2 . 16911 1 866 . 1 1 67 67 LYS HG3 H 1 1.43 0.02 . 1 . . . . 67 LYS HG3 . 16911 1 867 . 1 1 67 67 LYS C C 13 177.33 0.10 . 1 . . . . 67 LYS C . 16911 1 868 . 1 1 67 67 LYS CA C 13 59.51 0.10 . 1 . . . . 67 LYS CA . 16911 1 869 . 1 1 67 67 LYS CB C 13 32.88 0.10 . 1 . . . . 67 LYS CB . 16911 1 870 . 1 1 67 67 LYS CD C 13 29.29 0.10 . 1 . . . . 67 LYS CD . 16911 1 871 . 1 1 67 67 LYS CE C 13 41.87 0.10 . 1 . . . . 67 LYS CE . 16911 1 872 . 1 1 67 67 LYS CG C 13 25.22 0.10 . 1 . . . . 67 LYS CG . 16911 1 873 . 1 1 67 67 LYS N N 15 124.09 0.10 . 1 . . . . 67 LYS N . 16911 1 874 . 1 1 68 68 GLU H H 1 8.72 0.02 . 1 . . . . 68 GLU H . 16911 1 875 . 1 1 68 68 GLU HA H 1 4.13 0.02 . 1 . . . . 68 GLU HA . 16911 1 876 . 1 1 68 68 GLU HB2 H 1 1.96 0.02 . 2 . . . . 68 GLU HB# . 16911 1 877 . 1 1 68 68 GLU HB3 H 1 1.96 0.02 . 2 . . . . 68 GLU HB# . 16911 1 878 . 1 1 68 68 GLU HG2 H 1 2.24 0.02 . 1 . . . . 68 GLU HG2 . 16911 1 879 . 1 1 68 68 GLU HG3 H 1 2.37 0.02 . 1 . . . . 68 GLU HG3 . 16911 1 880 . 1 1 68 68 GLU CA C 13 58.77 0.10 . 1 . . . . 68 GLU CA . 16911 1 881 . 1 1 68 68 GLU CB C 13 29.87 0.10 . 1 . . . . 68 GLU CB . 16911 1 882 . 1 1 68 68 GLU CG C 13 36.58 0.10 . 1 . . . . 68 GLU CG . 16911 1 883 . 1 1 68 68 GLU N N 15 117.47 0.10 . 1 . . . . 68 GLU N . 16911 1 884 . 1 1 69 69 ASP H H 1 7.08 0.02 . 1 . . . . 69 ASP H . 16911 1 885 . 1 1 69 69 ASP HA H 1 4.56 0.02 . 1 . . . . 69 ASP HA . 16911 1 886 . 1 1 69 69 ASP HB2 H 1 2.66 0.02 . 1 . . . . 69 ASP HB2 . 16911 1 887 . 1 1 69 69 ASP HB3 H 1 2.84 0.02 . 1 . . . . 69 ASP HB3 . 16911 1 888 . 1 1 69 69 ASP C C 13 177.85 0.10 . 1 . . . . 69 ASP C . 16911 1 889 . 1 1 69 69 ASP CA C 13 56.27 0.10 . 1 . . . . 69 ASP CA . 16911 1 890 . 1 1 69 69 ASP CB C 13 41.09 0.10 . 1 . . . . 69 ASP CB . 16911 1 891 . 1 1 69 69 ASP N N 15 121.79 0.10 . 1 . . . . 69 ASP N . 16911 1 892 . 1 1 70 70 ILE H H 1 8.25 0.02 . 1 . . . . 70 ILE H . 16911 1 893 . 1 1 70 70 ILE HA H 1 3.65 0.02 . 1 . . . . 70 ILE HA . 16911 1 894 . 1 1 70 70 ILE HB H 1 2.07 0.02 . 1 . . . . 70 ILE HB . 16911 1 895 . 1 1 70 70 ILE HD11 H 1 1.10 0.02 . 1 . . . . 70 ILE HD1 . 16911 1 896 . 1 1 70 70 ILE HD12 H 1 1.10 0.02 . 1 . . . . 70 ILE HD1 . 16911 1 897 . 1 1 70 70 ILE HD13 H 1 1.10 0.02 . 1 . . . . 70 ILE HD1 . 16911 1 898 . 1 1 70 70 ILE HG12 H 1 1.47 0.02 . 1 . . . . 70 ILE HG12 . 16911 1 899 . 1 1 70 70 ILE HG13 H 1 2.01 0.02 . 1 . . . . 70 ILE HG13 . 16911 1 900 . 1 1 70 70 ILE HG21 H 1 1.20 0.02 . 1 . . . . 70 ILE HG2 . 16911 1 901 . 1 1 70 70 ILE HG22 H 1 1.20 0.02 . 1 . . . . 70 ILE HG2 . 16911 1 902 . 1 1 70 70 ILE HG23 H 1 1.20 0.02 . 1 . . . . 70 ILE HG2 . 16911 1 903 . 1 1 70 70 ILE C C 13 177.64 0.10 . 1 . . . . 70 ILE C . 16911 1 904 . 1 1 70 70 ILE CA C 13 65.68 0.10 . 1 . . . . 70 ILE CA . 16911 1 905 . 1 1 70 70 ILE CB C 13 38.15 0.10 . 1 . . . . 70 ILE CB . 16911 1 906 . 1 1 70 70 ILE CD1 C 13 14.73 0.10 . 1 . . . . 70 ILE CD1 . 16911 1 907 . 1 1 70 70 ILE CG1 C 13 30.29 0.10 . 1 . . . . 70 ILE CG1 . 16911 1 908 . 1 1 70 70 ILE CG2 C 13 18.95 0.10 . 1 . . . . 70 ILE CG2 . 16911 1 909 . 1 1 70 70 ILE N N 15 121.81 0.10 . 1 . . . . 70 ILE N . 16911 1 910 . 1 1 71 71 LEU H H 1 8.53 0.02 . 1 . . . . 71 LEU H . 16911 1 911 . 1 1 71 71 LEU HA H 1 4.12 0.02 . 1 . . . . 71 LEU HA . 16911 1 912 . 1 1 71 71 LEU HB2 H 1 1.89 0.02 . 1 . . . . 71 LEU HB2 . 16911 1 913 . 1 1 71 71 LEU HB3 H 1 1.61 0.02 . 1 . . . . 71 LEU HB3 . 16911 1 914 . 1 1 71 71 LEU HD11 H 1 0.96 0.02 . 1 . . . . 71 LEU HD1 . 16911 1 915 . 1 1 71 71 LEU HD12 H 1 0.96 0.02 . 1 . . . . 71 LEU HD1 . 16911 1 916 . 1 1 71 71 LEU HD13 H 1 0.96 0.02 . 1 . . . . 71 LEU HD1 . 16911 1 917 . 1 1 71 71 LEU HD21 H 1 0.98 0.02 . 1 . . . . 71 LEU HD2 . 16911 1 918 . 1 1 71 71 LEU HD22 H 1 0.98 0.02 . 1 . . . . 71 LEU HD2 . 16911 1 919 . 1 1 71 71 LEU HD23 H 1 0.98 0.02 . 1 . . . . 71 LEU HD2 . 16911 1 920 . 1 1 71 71 LEU HG H 1 1.82 0.02 . 1 . . . . 71 LEU HG . 16911 1 921 . 1 1 71 71 LEU C C 13 179.67 0.10 . 1 . . . . 71 LEU C . 16911 1 922 . 1 1 71 71 LEU CA C 13 58.67 0.10 . 1 . . . . 71 LEU CA . 16911 1 923 . 1 1 71 71 LEU CB C 13 40.92 0.10 . 1 . . . . 71 LEU CB . 16911 1 924 . 1 1 71 71 LEU CD1 C 13 25.36 0.10 . 1 . . . . 71 LEU CD1 . 16911 1 925 . 1 1 71 71 LEU CD2 C 13 23.60 0.10 . 1 . . . . 71 LEU CD2 . 16911 1 926 . 1 1 71 71 LEU CG C 13 27.56 0.10 . 1 . . . . 71 LEU CG . 16911 1 927 . 1 1 71 71 LEU N N 15 119.02 0.10 . 1 . . . . 71 LEU N . 16911 1 928 . 1 1 72 72 HIS H H 1 8.02 0.02 . 1 . . . . 72 HIS H . 16911 1 929 . 1 1 72 72 HIS HA H 1 4.42 0.02 . 1 . . . . 72 HIS HA . 16911 1 930 . 1 1 72 72 HIS HB2 H 1 3.28 0.02 . 2 . . . . 72 HIS HB# . 16911 1 931 . 1 1 72 72 HIS HB3 H 1 3.28 0.02 . 2 . . . . 72 HIS HB# . 16911 1 932 . 1 1 72 72 HIS HD2 H 1 7.00 0.02 . 1 . . . . 72 HIS HD2 . 16911 1 933 . 1 1 72 72 HIS C C 13 178.32 0.10 . 1 . . . . 72 HIS C . 16911 1 934 . 1 1 72 72 HIS CA C 13 59.80 0.10 . 1 . . . . 72 HIS CA . 16911 1 935 . 1 1 72 72 HIS CB C 13 29.82 0.10 . 1 . . . . 72 HIS CB . 16911 1 936 . 1 1 72 72 HIS CD2 C 13 119.23 0.10 . 1 . . . . 72 HIS CD2 . 16911 1 937 . 1 1 72 72 HIS N N 15 118.97 0.10 . 1 . . . . 72 HIS N . 16911 1 938 . 1 1 73 73 LYS H H 1 8.17 0.02 . 1 . . . . 73 LYS H . 16911 1 939 . 1 1 73 73 LYS HA H 1 3.94 0.02 . 1 . . . . 73 LYS HA . 16911 1 940 . 1 1 73 73 LYS HB2 H 1 1.53 0.02 . 1 . . . . 73 LYS HB2 . 16911 1 941 . 1 1 73 73 LYS HB3 H 1 1.26 0.02 . 1 . . . . 73 LYS HB3 . 16911 1 942 . 1 1 73 73 LYS HD2 H 1 1.16 0.02 . 2 . . . . 73 LYS HD# . 16911 1 943 . 1 1 73 73 LYS HD3 H 1 1.16 0.02 . 2 . . . . 73 LYS HD# . 16911 1 944 . 1 1 73 73 LYS HE2 H 1 2.42 0.02 . 2 . . . . 73 LYS HE# . 16911 1 945 . 1 1 73 73 LYS HE3 H 1 2.42 0.02 . 2 . . . . 73 LYS HE# . 16911 1 946 . 1 1 73 73 LYS HG2 H 1 0.62 0.02 . 1 . . . . 73 LYS HG2 . 16911 1 947 . 1 1 73 73 LYS HG3 H 1 1.16 0.02 . 1 . . . . 73 LYS HG3 . 16911 1 948 . 1 1 73 73 LYS C C 13 180.34 0.10 . 1 . . . . 73 LYS C . 16911 1 949 . 1 1 73 73 LYS CA C 13 58.18 0.10 . 1 . . . . 73 LYS CA . 16911 1 950 . 1 1 73 73 LYS CB C 13 30.85 0.10 . 1 . . . . 73 LYS CB . 16911 1 951 . 1 1 73 73 LYS CD C 13 27.54 0.10 . 1 . . . . 73 LYS CD . 16911 1 952 . 1 1 73 73 LYS CE C 13 41.74 0.10 . 1 . . . . 73 LYS CE . 16911 1 953 . 1 1 73 73 LYS CG C 13 24.23 0.10 . 1 . . . . 73 LYS CG . 16911 1 954 . 1 1 73 73 LYS N N 15 119.99 0.10 . 1 . . . . 73 LYS N . 16911 1 955 . 1 1 74 74 LEU H H 1 8.87 0.02 . 1 . . . . 74 LEU H . 16911 1 956 . 1 1 74 74 LEU HA H 1 4.14 0.02 . 1 . . . . 74 LEU HA . 16911 1 957 . 1 1 74 74 LEU HB2 H 1 2.04 0.02 . 1 . . . . 74 LEU HB2 . 16911 1 958 . 1 1 74 74 LEU HB3 H 1 1.24 0.02 . 1 . . . . 74 LEU HB3 . 16911 1 959 . 1 1 74 74 LEU HD11 H 1 0.64 0.02 . 1 . . . . 74 LEU HD1 . 16911 1 960 . 1 1 74 74 LEU HD12 H 1 0.64 0.02 . 1 . . . . 74 LEU HD1 . 16911 1 961 . 1 1 74 74 LEU HD13 H 1 0.64 0.02 . 1 . . . . 74 LEU HD1 . 16911 1 962 . 1 1 74 74 LEU HD21 H 1 0.66 0.02 . 1 . . . . 74 LEU HD2 . 16911 1 963 . 1 1 74 74 LEU HD22 H 1 0.66 0.02 . 1 . . . . 74 LEU HD2 . 16911 1 964 . 1 1 74 74 LEU HD23 H 1 0.66 0.02 . 1 . . . . 74 LEU HD2 . 16911 1 965 . 1 1 74 74 LEU HG H 1 1.93 0.02 . 1 . . . . 74 LEU HG . 16911 1 966 . 1 1 74 74 LEU C C 13 179.28 0.10 . 1 . . . . 74 LEU C . 16911 1 967 . 1 1 74 74 LEU CA C 13 58.24 0.10 . 1 . . . . 74 LEU CA . 16911 1 968 . 1 1 74 74 LEU CB C 13 42.91 0.10 . 1 . . . . 74 LEU CB . 16911 1 969 . 1 1 74 74 LEU CD1 C 13 22.70 0.10 . 1 . . . . 74 LEU CD1 . 16911 1 970 . 1 1 74 74 LEU CD2 C 13 25.51 0.10 . 1 . . . . 74 LEU CD2 . 16911 1 971 . 1 1 74 74 LEU CG C 13 26.65 0.10 . 1 . . . . 74 LEU CG . 16911 1 972 . 1 1 74 74 LEU N N 15 121.04 0.10 . 1 . . . . 74 LEU N . 16911 1 973 . 1 1 75 75 ASN H H 1 8.48 0.02 . 1 . . . . 75 ASN H . 16911 1 974 . 1 1 75 75 ASN HA H 1 4.59 0.02 . 1 . . . . 75 ASN HA . 16911 1 975 . 1 1 75 75 ASN HB2 H 1 3.01 0.02 . 1 . . . . 75 ASN HB2 . 16911 1 976 . 1 1 75 75 ASN HB3 H 1 2.76 0.02 . 1 . . . . 75 ASN HB3 . 16911 1 977 . 1 1 75 75 ASN HD21 H 1 7.41 0.02 . 1 . . . . 75 ASN HD21 . 16911 1 978 . 1 1 75 75 ASN HD22 H 1 6.65 0.02 . 1 . . . . 75 ASN HD22 . 16911 1 979 . 1 1 75 75 ASN C C 13 177.77 0.10 . 1 . . . . 75 ASN C . 16911 1 980 . 1 1 75 75 ASN CA C 13 57.43 0.10 . 1 . . . . 75 ASN CA . 16911 1 981 . 1 1 75 75 ASN CB C 13 38.80 0.10 . 1 . . . . 75 ASN CB . 16911 1 982 . 1 1 75 75 ASN N N 15 119.04 0.10 . 1 . . . . 75 ASN N . 16911 1 983 . 1 1 75 75 ASN ND2 N 15 111.26 0.10 . 1 . . . . 75 ASN ND2 . 16911 1 984 . 1 1 76 76 GLU H H 1 8.12 0.02 . 1 . . . . 76 GLU H . 16911 1 985 . 1 1 76 76 GLU HA H 1 4.09 0.02 . 1 . . . . 76 GLU HA . 16911 1 986 . 1 1 76 76 GLU HB2 H 1 2.15 0.02 . 2 . . . . 76 GLU HB# . 16911 1 987 . 1 1 76 76 GLU HB3 H 1 2.15 0.02 . 2 . . . . 76 GLU HB# . 16911 1 988 . 1 1 76 76 GLU HG2 H 1 2.10 0.02 . 1 . . . . 76 GLU HG2 . 16911 1 989 . 1 1 76 76 GLU HG3 H 1 2.32 0.02 . 1 . . . . 76 GLU HG3 . 16911 1 990 . 1 1 76 76 GLU C C 13 179.13 0.10 . 1 . . . . 76 GLU C . 16911 1 991 . 1 1 76 76 GLU CA C 13 59.45 0.10 . 1 . . . . 76 GLU CA . 16911 1 992 . 1 1 76 76 GLU CB C 13 29.98 0.10 . 1 . . . . 76 GLU CB . 16911 1 993 . 1 1 76 76 GLU CG C 13 36.61 0.10 . 1 . . . . 76 GLU CG . 16911 1 994 . 1 1 76 76 GLU N N 15 119.90 0.10 . 1 . . . . 76 GLU N . 16911 1 995 . 1 1 77 77 GLN H H 1 8.01 0.02 . 1 . . . . 77 GLN H . 16911 1 996 . 1 1 77 77 GLN HA H 1 4.12 0.02 . 1 . . . . 77 GLN HA . 16911 1 997 . 1 1 77 77 GLN HB2 H 1 2.40 0.02 . 1 . . . . 77 GLN HB2 . 16911 1 998 . 1 1 77 77 GLN HB3 H 1 2.48 0.02 . 1 . . . . 77 GLN HB3 . 16911 1 999 . 1 1 77 77 GLN HE21 H 1 7.90 0.02 . 1 . . . . 77 GLN HE21 . 16911 1 1000 . 1 1 77 77 GLN HE22 H 1 7.05 0.02 . 1 . . . . 77 GLN HE22 . 16911 1 1001 . 1 1 77 77 GLN HG2 H 1 2.55 0.02 . 2 . . . . 77 GLN HG# . 16911 1 1002 . 1 1 77 77 GLN HG3 H 1 2.55 0.02 . 2 . . . . 77 GLN HG# . 16911 1 1003 . 1 1 77 77 GLN C C 13 178.05 0.10 . 1 . . . . 77 GLN C . 16911 1 1004 . 1 1 77 77 GLN CA C 13 57.86 0.10 . 1 . . . . 77 GLN CA . 16911 1 1005 . 1 1 77 77 GLN CB C 13 28.49 0.10 . 1 . . . . 77 GLN CB . 16911 1 1006 . 1 1 77 77 GLN CG C 13 33.85 0.10 . 1 . . . . 77 GLN CG . 16911 1 1007 . 1 1 77 77 GLN N N 15 117.39 0.10 . 1 . . . . 77 GLN N . 16911 1 1008 . 1 1 77 77 GLN NE2 N 15 113.57 0.10 . 1 . . . . 77 GLN NE2 . 16911 1 1009 . 1 1 78 78 TRP H H 1 8.77 0.02 . 1 . . . . 78 TRP H . 16911 1 1010 . 1 1 78 78 TRP HA H 1 4.03 0.02 . 1 . . . . 78 TRP HA . 16911 1 1011 . 1 1 78 78 TRP HB2 H 1 3.22 0.02 . 1 . . . . 78 TRP HB2 . 16911 1 1012 . 1 1 78 78 TRP HB3 H 1 3.35 0.02 . 1 . . . . 78 TRP HB3 . 16911 1 1013 . 1 1 78 78 TRP HD1 H 1 6.92 0.02 . 1 . . . . 78 TRP HD1 . 16911 1 1014 . 1 1 78 78 TRP HE1 H 1 9.94 0.02 . 1 . . . . 78 TRP HE1 . 16911 1 1015 . 1 1 78 78 TRP HE3 H 1 6.34 0.02 . 1 . . . . 78 TRP HE3 . 16911 1 1016 . 1 1 78 78 TRP HH2 H 1 6.75 0.02 . 1 . . . . 78 TRP HH2 . 16911 1 1017 . 1 1 78 78 TRP HZ2 H 1 7.14 0.02 . 1 . . . . 78 TRP HZ2 . 16911 1 1018 . 1 1 78 78 TRP HZ3 H 1 7.30 0.02 . 1 . . . . 78 TRP HZ3 . 16911 1 1019 . 1 1 78 78 TRP C C 13 176.63 0.10 . 1 . . . . 78 TRP C . 16911 1 1020 . 1 1 78 78 TRP CA C 13 59.70 0.10 . 1 . . . . 78 TRP CA . 16911 1 1021 . 1 1 78 78 TRP CB C 13 29.76 0.10 . 1 . . . . 78 TRP CB . 16911 1 1022 . 1 1 78 78 TRP CD1 C 13 127.01 0.10 . 1 . . . . 78 TRP CD1 . 16911 1 1023 . 1 1 78 78 TRP CE3 C 13 122.18 0.10 . 1 . . . . 78 TRP CE3 . 16911 1 1024 . 1 1 78 78 TRP CH2 C 13 123.71 0.10 . 1 . . . . 78 TRP CH2 . 16911 1 1025 . 1 1 78 78 TRP CZ2 C 13 114.03 0.10 . 1 . . . . 78 TRP CZ2 . 16911 1 1026 . 1 1 78 78 TRP CZ3 C 13 120.32 0.10 . 1 . . . . 78 TRP CZ3 . 16911 1 1027 . 1 1 78 78 TRP N N 15 121.88 0.10 . 1 . . . . 78 TRP N . 16911 1 1028 . 1 1 78 78 TRP NE1 N 15 128.82 0.10 . 1 . . . . 78 TRP NE1 . 16911 1 1029 . 1 1 79 79 ASN H H 1 7.63 0.02 . 1 . . . . 79 ASN H . 16911 1 1030 . 1 1 79 79 ASN HA H 1 4.42 0.02 . 1 . . . . 79 ASN HA . 16911 1 1031 . 1 1 79 79 ASN HB2 H 1 2.66 0.02 . 1 . . . . 79 ASN HB2 . 16911 1 1032 . 1 1 79 79 ASN HB3 H 1 2.86 0.02 . 1 . . . . 79 ASN HB3 . 16911 1 1033 . 1 1 79 79 ASN HD21 H 1 7.48 0.02 . 1 . . . . 79 ASN HD21 . 16911 1 1034 . 1 1 79 79 ASN HD22 H 1 6.98 0.02 . 1 . . . . 79 ASN HD22 . 16911 1 1035 . 1 1 79 79 ASN C C 13 175.11 0.10 . 1 . . . . 79 ASN C . 16911 1 1036 . 1 1 79 79 ASN CA C 13 54.08 0.10 . 1 . . . . 79 ASN CA . 16911 1 1037 . 1 1 79 79 ASN CB C 13 39.36 0.10 . 1 . . . . 79 ASN CB . 16911 1 1038 . 1 1 79 79 ASN N N 15 114.58 0.10 . 1 . . . . 79 ASN N . 16911 1 1039 . 1 1 79 79 ASN ND2 N 15 113.44 0.10 . 1 . . . . 79 ASN ND2 . 16911 1 1040 . 1 1 80 80 LYS H H 1 7.47 0.02 . 1 . . . . 80 LYS H . 16911 1 1041 . 1 1 80 80 LYS HA H 1 4.29 0.02 . 1 . . . . 80 LYS HA . 16911 1 1042 . 1 1 80 80 LYS HB2 H 1 1.92 0.02 . 2 . . . . 80 LYS HB# . 16911 1 1043 . 1 1 80 80 LYS HB3 H 1 1.92 0.02 . 2 . . . . 80 LYS HB# . 16911 1 1044 . 1 1 80 80 LYS HD2 H 1 1.73 0.02 . 2 . . . . 80 LYS HD# . 16911 1 1045 . 1 1 80 80 LYS HD3 H 1 1.73 0.02 . 2 . . . . 80 LYS HD# . 16911 1 1046 . 1 1 80 80 LYS HE2 H 1 3.04 0.02 . 2 . . . . 80 LYS HE# . 16911 1 1047 . 1 1 80 80 LYS HE3 H 1 3.04 0.02 . 2 . . . . 80 LYS HE# . 16911 1 1048 . 1 1 80 80 LYS HG2 H 1 1.55 0.02 . 2 . . . . 80 LYS HG# . 16911 1 1049 . 1 1 80 80 LYS HG3 H 1 1.55 0.02 . 2 . . . . 80 LYS HG# . 16911 1 1050 . 1 1 80 80 LYS C C 13 175.53 0.10 . 1 . . . . 80 LYS C . 16911 1 1051 . 1 1 80 80 LYS CA C 13 56.92 0.10 . 1 . . . . 80 LYS CA . 16911 1 1052 . 1 1 80 80 LYS CB C 13 33.36 0.10 . 1 . . . . 80 LYS CB . 16911 1 1053 . 1 1 80 80 LYS CD C 13 29.38 0.10 . 1 . . . . 80 LYS CD . 16911 1 1054 . 1 1 80 80 LYS CE C 13 42.25 0.10 . 1 . . . . 80 LYS CE . 16911 1 1055 . 1 1 80 80 LYS CG C 13 24.55 0.10 . 1 . . . . 80 LYS CG . 16911 1 1056 . 1 1 80 80 LYS N N 15 120.20 0.10 . 1 . . . . 80 LYS N . 16911 1 1057 . 1 1 81 81 ASP H H 1 7.79 0.02 . 1 . . . . 81 ASP H . 16911 1 1058 . 1 1 81 81 ASP HA H 1 4.39 0.02 . 1 . . . . 81 ASP HA . 16911 1 1059 . 1 1 81 81 ASP HB2 H 1 2.58 0.02 . 1 . . . . 81 ASP HB2 . 16911 1 1060 . 1 1 81 81 ASP HB3 H 1 2.66 0.02 . 1 . . . . 81 ASP HB3 . 16911 1 1061 . 1 1 81 81 ASP CA C 13 56.15 0.10 . 1 . . . . 81 ASP CA . 16911 1 1062 . 1 1 81 81 ASP CB C 13 42.33 0.10 . 1 . . . . 81 ASP CB . 16911 1 1063 . 1 1 81 81 ASP N N 15 126.91 0.10 . 1 . . . . 81 ASP N . 16911 1 stop_ save_