################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36085 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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' 1 $sample_1 isotropic 36085 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36085 1 3 '3D HNCACB' 1 $sample_1 isotropic 36085 1 4 '3D HBHA(CO)NH' 1 $sample_1 isotropic 36085 1 5 '3D HNCO' 1 $sample_1 isotropic 36085 1 6 '3D 1H-13C NOESY' 1 $sample_1 isotropic 36085 1 7 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36085 1 8 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36085 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.Ambiguity_set_ID _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 MET H H 1 8.4301 0.01 . . . . . . X 1 MET H1 . 36085 1 2 . 1 1 1 1 MET HA H 1 4.4608 0.01 . . . . . . X 1 MET HA . 36085 1 3 . 1 1 1 1 MET HB2 H 1 1.940 0.01 . . . . . . X 1 MET HB2 . 36085 1 4 . 1 1 1 1 MET HB3 H 1 2.003 0.01 . . . . . . X 1 MET HB3 . 36085 1 5 . 1 1 1 1 MET HG2 H 1 2.393 0.01 . . . . . . X 1 MET HG2 . 36085 1 6 . 1 1 1 1 MET HG3 H 1 2.423 0.01 . . . . . . X 1 MET HG3 . 36085 1 7 . 1 1 1 1 MET C C 13 175.0400 0.05 . . . . . . X 1 MET C . 36085 1 8 . 1 1 1 1 MET CA C 13 57.0100 0.05 . . . . . . X 1 MET CA . 36085 1 9 . 1 1 1 1 MET CB C 13 35.6400 0.05 . . . . . . X 1 MET CB . 36085 1 10 . 1 1 1 1 MET CG C 13 32.50 0.05 . . . . . . X 1 MET CG . 36085 1 11 . 1 1 1 1 MET N N 15 122.8440 0.05 . . . . . . X 1 MET N . 36085 1 12 . 1 1 2 2 ASN H H 1 9.0247 0.01 . . . . . . X 2 ASN H . 36085 1 13 . 1 1 2 2 ASN HA H 1 4.9200 0.01 . . . . . . X 2 ASN HA . 36085 1 14 . 1 1 2 2 ASN HB2 H 1 2.8262 0.01 . . . . . . X 2 ASN HB2 . 36085 1 15 . 1 1 2 2 ASN HB3 H 1 3.1506 0.01 . . . . . . X 2 ASN HB3 . 36085 1 16 . 1 1 2 2 ASN HD21 H 1 7.646 0.01 . . . . . . X 2 ASN HD21 . 36085 1 17 . 1 1 2 2 ASN HD22 H 1 6.929 0.01 . . . . . . X 2 ASN HD22 . 36085 1 18 . 1 1 2 2 ASN C C 13 176.6900 0.05 . . . . . . X 2 ASN C . 36085 1 19 . 1 1 2 2 ASN CA C 13 52.2800 0.05 . . . . . . X 2 ASN CA . 36085 1 20 . 1 1 2 2 ASN CB C 13 41.0000 0.05 . . . . . . X 2 ASN CB . 36085 1 21 . 1 1 2 2 ASN N N 15 122.4570 0.05 . . . . . . X 2 ASN N . 36085 1 22 . 1 1 2 2 ASN ND2 N 15 113.73 0.05 . . . . . . X 2 ASN ND2 . 36085 1 23 . 1 1 3 3 ILE H H 1 8.7557 0.01 . . . . . . X 3 ILE H . 36085 1 24 . 1 1 3 3 ILE HA H 1 3.8006 0.01 . . . . . . X 3 ILE HA . 36085 1 25 . 1 1 3 3 ILE HB H 1 1.9360 0.01 . . . . . . X 3 ILE HB . 36085 1 26 . 1 1 3 3 ILE HG12 H 1 1.308 0.01 . . . . . . X 3 ILE HG12 . 36085 1 27 . 1 1 3 3 ILE HG13 H 1 1.342 0.01 . . . . . . X 3 ILE HG13 . 36085 1 28 . 1 1 3 3 ILE HG21 H 1 0.900 0.01 . . . . . . X 3 ILE HG21 . 36085 1 29 . 1 1 3 3 ILE HG22 H 1 0.900 0.01 . . . . . . X 3 ILE HG22 . 36085 1 30 . 1 1 3 3 ILE HG23 H 1 0.900 0.01 . . . . . . X 3 ILE HG23 . 36085 1 31 . 1 1 3 3 ILE HD11 H 1 0.926 0.01 . . . . . . X 3 ILE HD11 . 36085 1 32 . 1 1 3 3 ILE HD12 H 1 0.926 0.01 . . . . . . X 3 ILE HD12 . 36085 1 33 . 1 1 3 3 ILE HD13 H 1 0.926 0.01 . . . . . . X 3 ILE HD13 . 36085 1 34 . 1 1 3 3 ILE C C 13 175.3600 0.05 . . . . . . X 3 ILE C . 36085 1 35 . 1 1 3 3 ILE CA C 13 63.5600 0.05 . . . . . . X 3 ILE CA . 36085 1 36 . 1 1 3 3 ILE CB C 13 38.5600 0.05 . . . . . . X 3 ILE CB . 36085 1 37 . 1 1 3 3 ILE CG1 C 13 30.09 0.05 . . . . . . X 3 ILE CG1 . 36085 1 38 . 1 1 3 3 ILE CG2 C 13 18.28 0.05 . . . . . . X 3 ILE CG2 . 36085 1 39 . 1 1 3 3 ILE CD1 C 13 15.21 0.05 . . . . . . X 3 ILE CD1 . 36085 1 40 . 1 1 3 3 ILE N N 15 120.0390 0.05 . . . . . . X 3 ILE N . 36085 1 41 . 1 1 4 4 ASN H H 1 7.9187 0.01 . . . . . . X 4 ASN H . 36085 1 42 . 1 1 4 4 ASN HA H 1 4.3478 0.01 . . . . . . X 4 ASN HA . 36085 1 43 . 1 1 4 4 ASN HB2 H 1 2.649 0.01 . . . . . . X 4 ASN HB2 . 36085 1 44 . 1 1 4 4 ASN HB3 H 1 2.782 0.01 . . . . . . X 4 ASN HB3 . 36085 1 45 . 1 1 4 4 ASN HD21 H 1 7.5762 0.01 . . . . . . X 4 ASN HD21 . 36085 1 46 . 1 1 4 4 ASN HD22 H 1 6.9239 0.01 . . . . . . X 4 ASN HD22 . 36085 1 47 . 1 1 4 4 ASN C C 13 178.5600 0.05 . . . . . . X 4 ASN C . 36085 1 48 . 1 1 4 4 ASN CA C 13 57.2800 0.05 . . . . . . X 4 ASN CA . 36085 1 49 . 1 1 4 4 ASN CB C 13 38.5700 0.05 . . . . . . X 4 ASN CB . 36085 1 50 . 1 1 4 4 ASN N N 15 120.0230 0.05 . . . . . . X 4 ASN N . 36085 1 51 . 1 1 4 4 ASN ND2 N 15 113.152 0.05 . . . . . . X 4 ASN ND2 . 36085 1 52 . 1 1 5 5 ASP H H 1 7.9483 0.01 . . . . . . X 5 ASP H . 36085 1 53 . 1 1 5 5 ASP HA H 1 4.3010 0.01 . . . . . . X 5 ASP HA . 36085 1 54 . 1 1 5 5 ASP HB2 H 1 2.710 0.01 . . . . . . X 5 ASP HB2 . 36085 1 55 . 1 1 5 5 ASP HB3 H 1 2.876 0.01 . . . . . . X 5 ASP HB3 . 36085 1 56 . 1 1 5 5 ASP C C 13 177.2400 0.05 . . . . . . X 5 ASP C . 36085 1 57 . 1 1 5 5 ASP CA C 13 57.8200 0.05 . . . . . . X 5 ASP CA . 36085 1 58 . 1 1 5 5 ASP CB C 13 41.9700 0.05 . . . . . . X 5 ASP CB . 36085 1 59 . 1 1 5 5 ASP N N 15 121.9300 0.05 . . . . . . X 5 ASP N . 36085 1 60 . 1 1 6 6 LEU H H 1 7.8808 0.01 . . . . . . X 6 LEU H . 36085 1 61 . 1 1 6 6 LEU HA H 1 3.724 0.01 . . . . . . X 6 LEU HA . 36085 1 62 . 1 1 6 6 LEU HB2 H 1 1.1672 0.01 . . . . . . X 6 LEU HB2 . 36085 1 63 . 1 1 6 6 LEU HB3 H 1 1.8220 0.01 . . . . . . X 6 LEU HB3 . 36085 1 64 . 1 1 6 6 LEU HG H 1 0.948 0.01 . . . . . . X 6 LEU HG . 36085 1 65 . 1 1 6 6 LEU HD11 H 1 0.322 0.01 . . . . . . X 6 LEU HD11 . 36085 1 66 . 1 1 6 6 LEU HD12 H 1 0.322 0.01 . . . . . . X 6 LEU HD12 . 36085 1 67 . 1 1 6 6 LEU HD13 H 1 0.322 0.01 . . . . . . X 6 LEU HD13 . 36085 1 68 . 1 1 6 6 LEU HD21 H 1 -0.289 0.01 . . . . . . X 6 LEU HD21 . 36085 1 69 . 1 1 6 6 LEU HD22 H 1 -0.289 0.01 . . . . . . X 6 LEU HD22 . 36085 1 70 . 1 1 6 6 LEU HD23 H 1 -0.289 0.01 . . . . . . X 6 LEU HD23 . 36085 1 71 . 1 1 6 6 LEU C C 13 177.8600 0.05 . . . . . . X 6 LEU C . 36085 1 72 . 1 1 6 6 LEU CA C 13 58.9900 0.05 . . . . . . X 6 LEU CA . 36085 1 73 . 1 1 6 6 LEU CB C 13 42.0400 0.05 . . . . . . X 6 LEU CB . 36085 1 74 . 1 1 6 6 LEU CG C 13 27.39 0.05 . . . . . . X 6 LEU CG . 36085 1 75 . 1 1 6 6 LEU CD1 C 13 26.78 0.05 . . . . . . X 6 LEU CD1 . 36085 1 76 . 1 1 6 6 LEU CD2 C 13 22.16 0.05 . . . . . . X 6 LEU CD2 . 36085 1 77 . 1 1 6 6 LEU N N 15 120.3440 0.05 . . . . . . X 6 LEU N . 36085 1 78 . 1 1 7 7 ILE H H 1 8.1025 0.01 . . . . . . X 7 ILE H . 36085 1 79 . 1 1 7 7 ILE HA H 1 3.303 0.01 . . . . . . X 7 ILE HA . 36085 1 80 . 1 1 7 7 ILE HB H 1 1.779 0.01 . . . . . . X 7 ILE HB . 36085 1 81 . 1 1 7 7 ILE HG12 H 1 0.852 0.01 . . . . . . X 7 ILE HG12 . 36085 1 82 . 1 1 7 7 ILE HG13 H 1 1.734 0.01 . . . . . . X 7 ILE HG13 . 36085 1 83 . 1 1 7 7 ILE HG21 H 1 0.847 0.01 . . . . . . X 7 ILE HG21 . 36085 1 84 . 1 1 7 7 ILE HG22 H 1 0.847 0.01 . . . . . . X 7 ILE HG22 . 36085 1 85 . 1 1 7 7 ILE HG23 H 1 0.847 0.01 . . . . . . X 7 ILE HG23 . 36085 1 86 . 1 1 7 7 ILE HD11 H 1 0.752 0.01 . . . . . . X 7 ILE HD11 . 36085 1 87 . 1 1 7 7 ILE HD12 H 1 0.752 0.01 . . . . . . X 7 ILE HD12 . 36085 1 88 . 1 1 7 7 ILE HD13 H 1 0.752 0.01 . . . . . . X 7 ILE HD13 . 36085 1 89 . 1 1 7 7 ILE C C 13 177.0800 0.05 . . . . . . X 7 ILE C . 36085 1 90 . 1 1 7 7 ILE CA C 13 67.0800 0.05 . . . . . . X 7 ILE CA . 36085 1 91 . 1 1 7 7 ILE CB C 13 38.8800 0.05 . . . . . . X 7 ILE CB . 36085 1 92 . 1 1 7 7 ILE CG1 C 13 30.92 0.05 . . . . . . X 7 ILE CG1 . 36085 1 93 . 1 1 7 7 ILE CG2 C 13 18.03 0.05 . . . . . . X 7 ILE CG2 . 36085 1 94 . 1 1 7 7 ILE CD1 C 13 14.92 0.05 . . . . . . X 7 ILE CD1 . 36085 1 95 . 1 1 7 7 ILE N N 15 117.2230 0.05 . . . . . . X 7 ILE N . 36085 1 96 . 1 1 8 8 ARG H H 1 7.5205 0.01 . . . . . . X 8 ARG H . 36085 1 97 . 1 1 8 8 ARG HA H 1 3.851 0.01 . . . . . . X 8 ARG HA . 36085 1 98 . 1 1 8 8 ARG HB2 H 1 1.848 0.01 . . . . . . X 8 ARG HB2 . 36085 1 99 . 1 1 8 8 ARG HB3 H 1 2.039 0.01 . . . . . . X 8 ARG HB3 . 36085 1 100 . 1 1 8 8 ARG HG2 H 1 1.377 0.01 . . . . . . X 8 ARG HG2 . 36085 1 101 . 1 1 8 8 ARG HG3 H 1 1.670 0.01 . . . . . . X 8 ARG HG3 . 36085 1 102 . 1 1 8 8 ARG HD2 H 1 3.200 0.01 . . . . . . X 8 ARG HD2 . 36085 1 103 . 1 1 8 8 ARG HD3 H 1 3.255 0.01 . . . . . . X 8 ARG HD3 . 36085 1 104 . 1 1 8 8 ARG C C 13 178.9000 0.05 . . . . . . X 8 ARG C . 36085 1 105 . 1 1 8 8 ARG CA C 13 60.4600 0.05 . . . . . . X 8 ARG CA . 36085 1 106 . 1 1 8 8 ARG CB C 13 30.4800 0.05 . . . . . . X 8 ARG CB . 36085 1 107 . 1 1 8 8 ARG CG C 13 28.12 0.05 . . . . . . X 8 ARG CG . 36085 1 108 . 1 1 8 8 ARG CD C 13 43.84 0.05 . . . . . . X 8 ARG CD . 36085 1 109 . 1 1 8 8 ARG N N 15 118.9340 0.05 . . . . . . X 8 ARG N . 36085 1 110 . 1 1 9 9 GLU H H 1 8.1259 0.01 . . . . . . X 9 GLU H . 36085 1 111 . 1 1 9 9 GLU HA H 1 4.010 0.01 . . . . . . X 9 GLU HA . 36085 1 112 . 1 1 9 9 GLU HB2 H 1 1.920 0.01 . . . . . . X 9 GLU HB2 . 36085 1 113 . 1 1 9 9 GLU HB3 H 1 1.918 0.01 . . . . . . X 9 GLU HB3 . 36085 1 114 . 1 1 9 9 GLU HG2 H 1 2.126 0.01 . . . . . . X 9 GLU HG2 . 36085 1 115 . 1 1 9 9 GLU HG3 H 1 2.579 0.01 . . . . . . X 9 GLU HG3 . 36085 1 116 . 1 1 9 9 GLU C C 13 179.7300 0.05 . . . . . . X 9 GLU C . 36085 1 117 . 1 1 9 9 GLU CA C 13 59.4500 0.05 . . . . . . X 9 GLU CA . 36085 1 118 . 1 1 9 9 GLU CB C 13 30.1400 0.05 . . . . . . X 9 GLU CB . 36085 1 119 . 1 1 9 9 GLU CG C 13 35.74 0.05 . . . . . . X 9 GLU CG . 36085 1 120 . 1 1 9 9 GLU N N 15 117.0910 0.05 . . . . . . X 9 GLU N . 36085 1 121 . 1 1 10 10 ILE H H 1 8.2994 0.01 . . . . . . X 10 ILE H . 36085 1 122 . 1 1 10 10 ILE HA H 1 3.369 0.01 . . . . . . X 10 ILE HA . 36085 1 123 . 1 1 10 10 ILE HB H 1 1.677 0.01 . . . . . . X 10 ILE HB . 36085 1 124 . 1 1 10 10 ILE HG12 H 1 0.525 0.01 . . . . . . X 10 ILE HG12 . 36085 1 125 . 1 1 10 10 ILE HG13 H 1 1.668 0.01 . . . . . . X 10 ILE HG13 . 36085 1 126 . 1 1 10 10 ILE HG21 H 1 0.708 0.01 . . . . . . X 10 ILE HG21 . 36085 1 127 . 1 1 10 10 ILE HG22 H 1 0.708 0.01 . . . . . . X 10 ILE HG22 . 36085 1 128 . 1 1 10 10 ILE HG23 H 1 0.708 0.01 . . . . . . X 10 ILE HG23 . 36085 1 129 . 1 1 10 10 ILE HD11 H 1 0.487 0.01 . . . . . . X 10 ILE HD11 . 36085 1 130 . 1 1 10 10 ILE HD12 H 1 0.487 0.01 . . . . . . X 10 ILE HD12 . 36085 1 131 . 1 1 10 10 ILE HD13 H 1 0.487 0.01 . . . . . . X 10 ILE HD13 . 36085 1 132 . 1 1 10 10 ILE C C 13 179.0800 0.05 . . . . . . X 10 ILE C . 36085 1 133 . 1 1 10 10 ILE CA C 13 67.3900 0.05 . . . . . . X 10 ILE CA . 36085 1 134 . 1 1 10 10 ILE CB C 13 39.7300 0.05 . . . . . . X 10 ILE CB . 36085 1 135 . 1 1 10 10 ILE CG1 C 13 29.77 0.05 . . . . . . X 10 ILE CG1 . 36085 1 136 . 1 1 10 10 ILE CG2 C 13 19.488 0.05 . . . . . . X 10 ILE CG2 . 36085 1 137 . 1 1 10 10 ILE CD1 C 13 15.66 0.05 . . . . . . X 10 ILE CD1 . 36085 1 138 . 1 1 10 10 ILE N N 15 121.3180 0.05 . . . . . . X 10 ILE N . 36085 1 139 . 1 1 11 11 LYS H H 1 8.4201 0.01 . . . . . . X 11 LYS H . 36085 1 140 . 1 1 11 11 LYS HA H 1 4.4187 0.01 . . . . . . X 11 LYS HA . 36085 1 141 . 1 1 11 11 LYS HB2 H 1 1.8620 0.01 . . . . . . X 11 LYS HB2 . 36085 1 142 . 1 1 11 11 LYS HB3 H 1 1.8620 0.01 . . . . . . X 11 LYS HB3 . 36085 1 143 . 1 1 11 11 LYS HG2 H 1 1.571 0.01 . . . . . . X 11 LYS HG2 . 36085 1 144 . 1 1 11 11 LYS HG3 H 1 1.571 0.01 . . . . . . X 11 LYS HG3 . 36085 1 145 . 1 1 11 11 LYS HD2 H 1 1.487 0.01 . . . . . . X 11 LYS HD2 . 36085 1 146 . 1 1 11 11 LYS HD3 H 1 1.715 0.01 . . . . . . X 11 LYS HD3 . 36085 1 147 . 1 1 11 11 LYS HE2 H 1 2.917 0.01 . . . . . . X 11 LYS HE2 . 36085 1 148 . 1 1 11 11 LYS HE3 H 1 2.917 0.01 . . . . . . X 11 LYS HE3 . 36085 1 149 . 1 1 11 11 LYS C C 13 181.6100 0.05 . . . . . . X 11 LYS C . 36085 1 150 . 1 1 11 11 LYS CA C 13 60.5800 0.05 . . . . . . X 11 LYS CA . 36085 1 151 . 1 1 11 11 LYS CB C 13 32.7100 0.05 . . . . . . X 11 LYS CB . 36085 1 152 . 1 1 11 11 LYS CG C 13 29.72 0.05 . . . . . . X 11 LYS CG . 36085 1 153 . 1 1 11 11 LYS CD C 13 26.579 0.05 . . . . . . X 11 LYS CD . 36085 1 154 . 1 1 11 11 LYS CE C 13 42.68 0.05 . . . . . . X 11 LYS CE . 36085 1 155 . 1 1 11 11 LYS N N 15 119.5760 0.05 . . . . . . X 11 LYS N . 36085 1 156 . 1 1 12 12 ASN H H 1 8.3432 0.01 . . . . . . X 12 ASN H . 36085 1 157 . 1 1 12 12 ASN HA H 1 4.587 0.01 . . . . . . X 12 ASN HA . 36085 1 158 . 1 1 12 12 ASN HB2 H 1 2.907 0.01 . . . . . . X 12 ASN HB2 . 36085 1 159 . 1 1 12 12 ASN HB3 H 1 2.907 0.01 . . . . . . X 12 ASN HB3 . 36085 1 160 . 1 1 12 12 ASN HD21 H 1 7.4696 0.01 . . . . . . X 12 ASN HD21 . 36085 1 161 . 1 1 12 12 ASN HD22 H 1 6.7784 0.01 . . . . . . X 12 ASN HD22 . 36085 1 162 . 1 1 12 12 ASN C C 13 176.6400 0.05 . . . . . . X 12 ASN C . 36085 1 163 . 1 1 12 12 ASN CA C 13 55.5900 0.05 . . . . . . X 12 ASN CA . 36085 1 164 . 1 1 12 12 ASN CB C 13 38.8300 0.05 . . . . . . X 12 ASN CB . 36085 1 165 . 1 1 12 12 ASN N N 15 119.0650 0.05 . . . . . . X 12 ASN N . 36085 1 166 . 1 1 12 12 ASN ND2 N 15 110.824 0.05 . . . . . . X 12 ASN ND2 . 36085 1 167 . 1 1 13 13 LYS H H 1 7.4674 0.01 . . . . . . X 13 LYS H . 36085 1 168 . 1 1 13 13 LYS HA H 1 4.4326 0.01 . . . . . . X 13 LYS HA . 36085 1 169 . 1 1 13 13 LYS HB2 H 1 2.027 0.01 . . . . . . X 13 LYS HB2 . 36085 1 170 . 1 1 13 13 LYS HB3 H 1 2.279 0.01 . . . . . . X 13 LYS HB3 . 36085 1 171 . 1 1 13 13 LYS HG2 H 1 1.548 0.01 . . . . . . X 13 LYS HG2 . 36085 1 172 . 1 1 13 13 LYS HG3 H 1 1.548 0.01 . . . . . . X 13 LYS HG3 . 36085 1 173 . 1 1 13 13 LYS HD2 H 1 1.670 0.01 . . . . . . X 13 LYS HD2 . 36085 1 174 . 1 1 13 13 LYS HD3 H 1 1.670 0.01 . . . . . . X 13 LYS HD3 . 36085 1 175 . 1 1 13 13 LYS C C 13 174.1200 0.05 . . . . . . X 13 LYS C . 36085 1 176 . 1 1 13 13 LYS CA C 13 55.5800 0.05 . . . . . . X 13 LYS CA . 36085 1 177 . 1 1 13 13 LYS CB C 13 32.0000 0.05 . . . . . . X 13 LYS CB . 36085 1 178 . 1 1 13 13 LYS CG C 13 25.49 0.05 . . . . . . X 13 LYS CG . 36085 1 179 . 1 1 13 13 LYS CD C 13 28.68 0.05 . . . . . . X 13 LYS CD . 36085 1 180 . 1 1 13 13 LYS N N 15 118.9180 0.05 . . . . . . X 13 LYS N . 36085 1 181 . 1 1 14 14 ASP H H 1 8.1471 0.01 . . . . . . X 14 ASP H . 36085 1 182 . 1 1 14 14 ASP HA H 1 4.228 0.01 . . . . . . X 14 ASP HA . 36085 1 183 . 1 1 14 14 ASP HB2 H 1 2.5615 0.01 . . . . . . X 14 ASP HB2 . 36085 1 184 . 1 1 14 14 ASP HB3 H 1 2.8463 0.01 . . . . . . X 14 ASP HB3 . 36085 1 185 . 1 1 14 14 ASP C C 13 174.8500 0.05 . . . . . . X 14 ASP C . 36085 1 186 . 1 1 14 14 ASP CA C 13 56.7400 0.05 . . . . . . X 14 ASP CA . 36085 1 187 . 1 1 14 14 ASP CB C 13 39.1800 0.05 . . . . . . X 14 ASP CB . 36085 1 188 . 1 1 14 14 ASP N N 15 113.2540 0.05 . . . . . . X 14 ASP N . 36085 1 189 . 1 1 15 15 TYR H H 1 6.9985 0.01 . . . . . . X 15 TYR H . 36085 1 190 . 1 1 15 15 TYR HA H 1 4.657 0.01 . . . . . . X 15 TYR HA . 36085 1 191 . 1 1 15 15 TYR HB2 H 1 2.496 0.01 . . . . . . X 15 TYR HB2 . 36085 1 192 . 1 1 15 15 TYR HB3 H 1 2.782 0.01 . . . . . . X 15 TYR HB3 . 36085 1 193 . 1 1 15 15 TYR HD1 H 1 7.2024 0.01 . . . . . . X 15 TYR HD1 . 36085 1 194 . 1 1 15 15 TYR HE1 H 1 6.8553 0.01 . . . . . . X 15 TYR HE1 . 36085 1 195 . 1 1 15 15 TYR C C 13 176.3100 0.05 . . . . . . X 15 TYR C . 36085 1 196 . 1 1 15 15 TYR CA C 13 58.8400 0.05 . . . . . . X 15 TYR CA . 36085 1 197 . 1 1 15 15 TYR CB C 13 40.4900 0.05 . . . . . . X 15 TYR CB . 36085 1 198 . 1 1 15 15 TYR CD1 C 13 133.923 0.05 . . . . . . X 15 TYR CD1 . 36085 1 199 . 1 1 15 15 TYR CE1 C 13 118.120 0.05 . . . . . . X 15 TYR CE1 . 36085 1 200 . 1 1 15 15 TYR N N 15 116.0050 0.05 . . . . . . X 15 TYR N . 36085 1 201 . 1 1 16 16 THR H H 1 8.7347 0.01 . . . . . . X 16 THR H . 36085 1 202 . 1 1 16 16 THR HA H 1 4.391 0.01 . . . . . . X 16 THR HA . 36085 1 203 . 1 1 16 16 THR HB H 1 4.085 0.01 . . . . . . X 16 THR HB . 36085 1 204 . 1 1 16 16 THR HG21 H 1 1.183 0.01 . . . . . . X 16 THR HG21 . 36085 1 205 . 1 1 16 16 THR HG22 H 1 1.183 0.01 . . . . . . X 16 THR HG22 . 36085 1 206 . 1 1 16 16 THR HG23 H 1 1.183 0.01 . . . . . . X 16 THR HG23 . 36085 1 207 . 1 1 16 16 THR C C 13 173.1100 0.05 . . . . . . X 16 THR C . 36085 1 208 . 1 1 16 16 THR CA C 13 63.6200 0.05 . . . . . . X 16 THR CA . 36085 1 209 . 1 1 16 16 THR CB C 13 70.6400 0.05 . . . . . . X 16 THR CB . 36085 1 210 . 1 1 16 16 THR CG2 C 13 22.24 0.05 . . . . . . X 16 THR CG2 . 36085 1 211 . 1 1 16 16 THR N N 15 117.8510 0.05 . . . . . . X 16 THR N . 36085 1 212 . 1 1 17 17 VAL H H 1 8.3175 0.01 . . . . . . X 17 VAL H . 36085 1 213 . 1 1 17 17 VAL HA H 1 5.3305 0.01 . . . . . . X 17 VAL HA . 36085 1 214 . 1 1 17 17 VAL HB H 1 1.8985 0.01 . . . . . . X 17 VAL HB . 36085 1 215 . 1 1 17 17 VAL HG11 H 1 0.873 0.01 . . . . . . X 17 VAL HG11 . 36085 1 216 . 1 1 17 17 VAL HG12 H 1 0.873 0.01 . . . . . . X 17 VAL HG12 . 36085 1 217 . 1 1 17 17 VAL HG13 H 1 0.873 0.01 . . . . . . X 17 VAL HG13 . 36085 1 218 . 1 1 17 17 VAL HG21 H 1 0.814 0.01 . . . . . . X 17 VAL HG21 . 36085 1 219 . 1 1 17 17 VAL HG22 H 1 0.814 0.01 . . . . . . X 17 VAL HG22 . 36085 1 220 . 1 1 17 17 VAL HG23 H 1 0.814 0.01 . . . . . . X 17 VAL HG23 . 36085 1 221 . 1 1 17 17 VAL C C 13 174.0500 0.05 . . . . . . X 17 VAL C . 36085 1 222 . 1 1 17 17 VAL CA C 13 59.4600 0.05 . . . . . . X 17 VAL CA . 36085 1 223 . 1 1 17 17 VAL CB C 13 35.7100 0.05 . . . . . . X 17 VAL CB . 36085 1 224 . 1 1 17 17 VAL CG1 C 13 22.34 0.05 . . . . . . X 17 VAL CG1 . 36085 1 225 . 1 1 17 17 VAL N N 15 120.8670 0.05 . . . . . . X 17 VAL N . 36085 1 226 . 1 1 18 18 LYS H H 1 8.9531 0.01 . . . . . . X 18 LYS H . 36085 1 227 . 1 1 18 18 LYS HA H 1 4.6064 0.01 . . . . . . X 18 LYS HA . 36085 1 228 . 1 1 18 18 LYS HB2 H 1 1.638 0.01 . . . . . . X 18 LYS HB2 . 36085 1 229 . 1 1 18 18 LYS HB3 H 1 1.763 0.01 . . . . . . X 18 LYS HB3 . 36085 1 230 . 1 1 18 18 LYS HG2 H 1 1.266 0.01 . . . . . . X 18 LYS HG2 . 36085 1 231 . 1 1 18 18 LYS HG3 H 1 1.312 0.01 . . . . . . X 18 LYS HG3 . 36085 1 232 . 1 1 18 18 LYS HD2 H 1 1.591 0.01 . . . . . . X 18 LYS HD2 . 36085 1 233 . 1 1 18 18 LYS HD3 H 1 1.591 0.01 . . . . . . X 18 LYS HD3 . 36085 1 234 . 1 1 18 18 LYS HE2 H 1 2.814 0.01 . . . . . . X 18 LYS HE2 . 36085 1 235 . 1 1 18 18 LYS HE3 H 1 2.814 0.01 . . . . . . X 18 LYS HE3 . 36085 1 236 . 1 1 18 18 LYS C C 13 173.9000 0.05 . . . . . . X 18 LYS C . 36085 1 237 . 1 1 18 18 LYS CA C 13 55.7600 0.05 . . . . . . X 18 LYS CA . 36085 1 238 . 1 1 18 18 LYS CB C 13 36.5500 0.05 . . . . . . X 18 LYS CB . 36085 1 239 . 1 1 18 18 LYS CG C 13 25.23 0.05 . . . . . . X 18 LYS CG . 36085 1 240 . 1 1 18 18 LYS CD C 13 29.959 0.05 . . . . . . X 18 LYS CD . 36085 1 241 . 1 1 18 18 LYS CE C 13 42.749 0.05 . . . . . . X 18 LYS CE . 36085 1 242 . 1 1 18 18 LYS N N 15 124.7270 0.05 . . . . . . X 18 LYS N . 36085 1 243 . 1 1 19 19 LEU H H 1 8.5894 0.01 . . . . . . X 19 LEU H . 36085 1 244 . 1 1 19 19 LEU HA H 1 5.2500 0.01 . . . . . . X 19 LEU HA . 36085 1 245 . 1 1 19 19 LEU HB2 H 1 1.487 0.01 . . . . . . X 19 LEU HB2 . 36085 1 246 . 1 1 19 19 LEU HB3 H 1 1.617 0.01 . . . . . . X 19 LEU HB3 . 36085 1 247 . 1 1 19 19 LEU HG H 1 1.5018 0.01 . . . . . . X 19 LEU HG . 36085 1 248 . 1 1 19 19 LEU HD11 H 1 0.837 0.01 . . . . . . X 19 LEU HD11 . 36085 1 249 . 1 1 19 19 LEU HD12 H 1 0.837 0.01 . . . . . . X 19 LEU HD12 . 36085 1 250 . 1 1 19 19 LEU HD13 H 1 0.837 0.01 . . . . . . X 19 LEU HD13 . 36085 1 251 . 1 1 19 19 LEU C C 13 176.7700 0.05 . . . . . . X 19 LEU C . 36085 1 252 . 1 1 19 19 LEU CA C 13 54.2200 0.05 . . . . . . X 19 LEU CA . 36085 1 253 . 1 1 19 19 LEU CB C 13 45.0800 0.05 . . . . . . X 19 LEU CB . 36085 1 254 . 1 1 19 19 LEU CG C 13 27.70 0.05 . . . . . . X 19 LEU CG . 36085 1 255 . 1 1 19 19 LEU CD1 C 13 25.30 0.05 . . . . . . X 19 LEU CD1 . 36085 1 256 . 1 1 19 19 LEU N N 15 124.4070 0.05 . . . . . . X 19 LEU N . 36085 1 257 . 1 1 20 20 SER HA H 1 4.776 0.01 . . . . . . X 20 SER HA . 36085 1 258 . 1 1 20 20 SER HB2 H 1 3.714 0.01 . . . . . . X 20 SER HB2 . 36085 1 259 . 1 1 20 20 SER HB3 H 1 3.750 0.01 . . . . . . X 20 SER HB3 . 36085 1 260 . 1 1 20 20 SER C C 13 173.6200 0.05 . . . . . . X 20 SER C . 36085 1 261 . 1 1 20 20 SER CA C 13 57.9200 0.05 . . . . . . X 20 SER CA . 36085 1 262 . 1 1 20 20 SER CB C 13 66.0200 0.05 . . . . . . X 20 SER CB . 36085 1 263 . 1 1 21 21 GLY H H 1 8.4453 0.01 . . . . . . X 21 GLY H . 36085 1 264 . 1 1 21 21 GLY HA2 H 1 4.191 0.01 . . . . . . X 21 GLY HA2 . 36085 1 265 . 1 1 21 21 GLY HA3 H 1 4.265 0.01 . . . . . . X 21 GLY HA3 . 36085 1 266 . 1 1 21 21 GLY C C 13 174.3700 0.05 . . . . . . X 21 GLY C . 36085 1 267 . 1 1 21 21 GLY CA C 13 46.445 0.05 . . . . . . X 21 GLY CA . 36085 1 268 . 1 1 21 21 GLY N N 15 111.1710 0.05 . . . . . . X 21 GLY N . 36085 1 269 . 1 1 22 22 THR H H 1 8.1025 0.01 . . . . . . X 22 THR H . 36085 1 270 . 1 1 22 22 THR HA H 1 4.245 0.01 . . . . . . X 22 THR HA . 36085 1 271 . 1 1 22 22 THR HB H 1 4.325 0.01 . . . . . . X 22 THR HB . 36085 1 272 . 1 1 22 22 THR HG21 H 1 1.138 0.01 . . . . . . X 22 THR HG21 . 36085 1 273 . 1 1 22 22 THR HG22 H 1 1.138 0.01 . . . . . . X 22 THR HG22 . 36085 1 274 . 1 1 22 22 THR HG23 H 1 1.138 0.01 . . . . . . X 22 THR HG23 . 36085 1 275 . 1 1 22 22 THR C C 13 175.0900 0.05 . . . . . . X 22 THR C . 36085 1 276 . 1 1 22 22 THR CA C 13 63.184 0.05 . . . . . . X 22 THR CA . 36085 1 277 . 1 1 22 22 THR CB C 13 70.2100 0.05 . . . . . . X 22 THR CB . 36085 1 278 . 1 1 22 22 THR CG2 C 13 22.54 0.05 . . . . . . X 22 THR CG2 . 36085 1 279 . 1 1 22 22 THR N N 15 110.8040 0.05 . . . . . . X 22 THR N . 36085 1 280 . 1 1 23 23 ASP H H 1 8.2440 0.01 . . . . . . X 23 ASP H . 36085 1 281 . 1 1 23 23 ASP HA H 1 4.554 0.01 . . . . . . X 23 ASP HA . 36085 1 282 . 1 1 23 23 ASP HB2 H 1 2.760 0.01 . . . . . . X 23 ASP HB2 . 36085 1 283 . 1 1 23 23 ASP HB3 H 1 2.763 0.01 . . . . . . X 23 ASP HB3 . 36085 1 284 . 1 1 23 23 ASP C C 13 176.7000 0.05 . . . . . . X 23 ASP C . 36085 1 285 . 1 1 23 23 ASP CA C 13 54.9500 0.05 . . . . . . X 23 ASP CA . 36085 1 286 . 1 1 23 23 ASP CB C 13 41.9900 0.05 . . . . . . X 23 ASP CB . 36085 1 287 . 1 1 23 23 ASP N N 15 119.8130 0.05 . . . . . . X 23 ASP N . 36085 1 288 . 1 1 24 24 SER HA H 1 4.3270 0.01 . . . . . . X 24 SER HA . 36085 1 289 . 1 1 24 24 SER HB2 H 1 3.9010 0.01 . . . . . . X 24 SER HB2 . 36085 1 290 . 1 1 24 24 SER HB3 H 1 3.9010 0.01 . . . . . . X 24 SER HB3 . 36085 1 291 . 1 1 24 24 SER C C 13 174.4500 0.05 . . . . . . X 24 SER C . 36085 1 292 . 1 1 24 24 SER CA C 13 60.6400 0.05 . . . . . . X 24 SER CA . 36085 1 293 . 1 1 24 24 SER CB C 13 64.1600 0.05 . . . . . . X 24 SER CB . 36085 1 294 . 1 1 25 25 ASN H H 1 8.2323 0.01 . . . . . . X 25 ASN H . 36085 1 295 . 1 1 25 25 ASN HA H 1 4.7487 0.01 . . . . . . X 25 ASN HA . 36085 1 296 . 1 1 25 25 ASN HB2 H 1 2.7395 0.01 . . . . . . X 25 ASN HB2 . 36085 1 297 . 1 1 25 25 ASN HB3 H 1 2.8880 0.01 . . . . . . X 25 ASN HB3 . 36085 1 298 . 1 1 25 25 ASN HD21 H 1 7.606 0.01 . . . . . . X 25 ASN HD21 . 36085 1 299 . 1 1 25 25 ASN HD22 H 1 6.857 0.01 . . . . . . X 25 ASN HD22 . 36085 1 300 . 1 1 25 25 ASN C C 13 174.7700 0.05 . . . . . . X 25 ASN C . 36085 1 301 . 1 1 25 25 ASN CA C 13 54.3300 0.05 . . . . . . X 25 ASN CA . 36085 1 302 . 1 1 25 25 ASN CB C 13 39.7100 0.05 . . . . . . X 25 ASN CB . 36085 1 303 . 1 1 25 25 ASN N N 15 118.2590 0.05 . . . . . . X 25 ASN N . 36085 1 304 . 1 1 25 25 ASN ND2 N 15 112.81 0.05 . . . . . . X 25 ASN ND2 . 36085 1 305 . 1 1 26 26 SER H H 1 7.7782 0.01 . . . . . . X 26 SER H . 36085 1 306 . 1 1 26 26 SER HA H 1 4.556 0.01 . . . . . . X 26 SER HA . 36085 1 307 . 1 1 26 26 SER HB2 H 1 3.6810 0.01 . . . . . . X 26 SER HB2 . 36085 1 308 . 1 1 26 26 SER HB3 H 1 3.7662 0.01 . . . . . . X 26 SER HB3 . 36085 1 309 . 1 1 26 26 SER C C 13 173.3400 0.05 . . . . . . X 26 SER C . 36085 1 310 . 1 1 26 26 SER CA C 13 58.6200 0.05 . . . . . . X 26 SER CA . 36085 1 311 . 1 1 26 26 SER CB C 13 65.0000 0.05 . . . . . . X 26 SER CB . 36085 1 312 . 1 1 26 26 SER N N 15 115.6040 0.05 . . . . . . X 26 SER N . 36085 1 313 . 1 1 27 27 ILE H H 1 8.1958 0.01 . . . . . . X 27 ILE H . 36085 1 314 . 1 1 27 27 ILE HA H 1 4.215 0.01 . . . . . . X 27 ILE HA . 36085 1 315 . 1 1 27 27 ILE HB H 1 1.773 0.01 . . . . . . X 27 ILE HB . 36085 1 316 . 1 1 27 27 ILE HG12 H 1 1.113 0.01 . . . . . . X 27 ILE HG12 . 36085 1 317 . 1 1 27 27 ILE HG13 H 1 1.482 0.01 . . . . . . X 27 ILE HG13 . 36085 1 318 . 1 1 27 27 ILE HG21 H 1 0.866 0.01 . . . . . . X 27 ILE HG21 . 36085 1 319 . 1 1 27 27 ILE HG22 H 1 0.866 0.01 . . . . . . X 27 ILE HG22 . 36085 1 320 . 1 1 27 27 ILE HG23 H 1 0.866 0.01 . . . . . . X 27 ILE HG23 . 36085 1 321 . 1 1 27 27 ILE HD11 H 1 0.796 0.01 . . . . . . X 27 ILE HD11 . 36085 1 322 . 1 1 27 27 ILE HD12 H 1 0.796 0.01 . . . . . . X 27 ILE HD12 . 36085 1 323 . 1 1 27 27 ILE HD13 H 1 0.796 0.01 . . . . . . X 27 ILE HD13 . 36085 1 324 . 1 1 27 27 ILE C C 13 176.0100 0.05 . . . . . . X 27 ILE C . 36085 1 325 . 1 1 27 27 ILE CA C 13 61.6900 0.05 . . . . . . X 27 ILE CA . 36085 1 326 . 1 1 27 27 ILE CB C 13 39.4200 0.05 . . . . . . X 27 ILE CB . 36085 1 327 . 1 1 27 27 ILE CG1 C 13 28.03 0.05 . . . . . . X 27 ILE CG1 . 36085 1 328 . 1 1 27 27 ILE CG2 C 13 18.48 0.05 . . . . . . X 27 ILE CG2 . 36085 1 329 . 1 1 27 27 ILE CD1 C 13 13.605 0.05 . . . . . . X 27 ILE CD1 . 36085 1 330 . 1 1 27 27 ILE N N 15 122.9630 0.05 . . . . . . X 27 ILE N . 36085 1 331 . 1 1 29 29 GLN HA H 1 5.166 0.01 . . . . . . X 29 GLN HA . 36085 1 332 . 1 1 29 29 GLN HB2 H 1 1.730 0.01 . . . . . . X 29 GLN HB2 . 36085 1 333 . 1 1 29 29 GLN HB3 H 1 1.846 0.01 . . . . . . X 29 GLN HB3 . 36085 1 334 . 1 1 29 29 GLN HG2 H 1 2.040 0.01 . . . . . . X 29 GLN HG2 . 36085 1 335 . 1 1 29 29 GLN HG3 H 1 2.167 0.01 . . . . . . X 29 GLN HG3 . 36085 1 336 . 1 1 29 29 GLN HE21 H 1 7.0830 0.01 . . . . . . X 29 GLN HE21 . 36085 1 337 . 1 1 29 29 GLN HE22 H 1 6.7164 0.01 . . . . . . X 29 GLN HE22 . 36085 1 338 . 1 1 29 29 GLN C C 13 172.6200 0.05 . . . . . . X 29 GLN C . 36085 1 339 . 1 1 29 29 GLN CA C 13 55.7300 0.05 . . . . . . X 29 GLN CA . 36085 1 340 . 1 1 29 29 GLN CB C 13 34.3600 0.05 . . . . . . X 29 GLN CB . 36085 1 341 . 1 1 29 29 GLN CG C 13 35.26 0.05 . . . . . . X 29 GLN CG . 36085 1 342 . 1 1 29 29 GLN NE2 N 15 111.050 0.05 . . . . . . X 29 GLN NE2 . 36085 1 343 . 1 1 30 30 LEU H H 1 9.2077 0.01 . . . . . . X 30 LEU H . 36085 1 344 . 1 1 30 30 LEU HA H 1 4.928 0.01 . . . . . . X 30 LEU HA . 36085 1 345 . 1 1 30 30 LEU HB2 H 1 1.2704 0.01 . . . . . . X 30 LEU HB2 . 36085 1 346 . 1 1 30 30 LEU HB3 H 1 1.8856 0.01 . . . . . . X 30 LEU HB3 . 36085 1 347 . 1 1 30 30 LEU HG H 1 1.432 0.01 . . . . . . X 30 LEU HG . 36085 1 348 . 1 1 30 30 LEU HD11 H 1 0.738 0.01 . . . . . . X 30 LEU HD11 . 36085 1 349 . 1 1 30 30 LEU HD12 H 1 0.738 0.01 . . . . . . X 30 LEU HD12 . 36085 1 350 . 1 1 30 30 LEU HD13 H 1 0.738 0.01 . . . . . . X 30 LEU HD13 . 36085 1 351 . 1 1 30 30 LEU HD21 H 1 0.707 0.01 . . . . . . X 30 LEU HD21 . 36085 1 352 . 1 1 30 30 LEU HD22 H 1 0.707 0.01 . . . . . . X 30 LEU HD22 . 36085 1 353 . 1 1 30 30 LEU HD23 H 1 0.707 0.01 . . . . . . X 30 LEU HD23 . 36085 1 354 . 1 1 30 30 LEU C C 13 174.0500 0.05 . . . . . . X 30 LEU C . 36085 1 355 . 1 1 30 30 LEU CA C 13 54.5100 0.05 . . . . . . X 30 LEU CA . 36085 1 356 . 1 1 30 30 LEU CB C 13 46.9600 0.05 . . . . . . X 30 LEU CB . 36085 1 357 . 1 1 30 30 LEU CG C 13 28.214 0.05 . . . . . . X 30 LEU CG . 36085 1 358 . 1 1 30 30 LEU CD1 C 13 25.75 0.05 . . . . . . X 30 LEU CD1 . 36085 1 359 . 1 1 30 30 LEU CD2 C 13 27.03 0.05 . . . . . . X 30 LEU CD2 . 36085 1 360 . 1 1 30 30 LEU N N 15 125.8810 0.05 . . . . . . X 30 LEU N . 36085 1 361 . 1 1 31 31 ILE H H 1 9.0008 0.01 . . . . . . X 31 ILE H . 36085 1 362 . 1 1 31 31 ILE HA H 1 4.7872 0.01 . . . . . . X 31 ILE HA . 36085 1 363 . 1 1 31 31 ILE HB H 1 1.7240 0.01 . . . . . . X 31 ILE HB . 36085 1 364 . 1 1 31 31 ILE HG12 H 1 0.970 0.01 . . . . . . X 31 ILE HG12 . 36085 1 365 . 1 1 31 31 ILE HG13 H 1 1.425 0.01 . . . . . . X 31 ILE HG13 . 36085 1 366 . 1 1 31 31 ILE HG21 H 1 0.660 0.01 . . . . . . X 31 ILE HG21 . 36085 1 367 . 1 1 31 31 ILE HG22 H 1 0.660 0.01 . . . . . . X 31 ILE HG22 . 36085 1 368 . 1 1 31 31 ILE HG23 H 1 0.660 0.01 . . . . . . X 31 ILE HG23 . 36085 1 369 . 1 1 31 31 ILE HD11 H 1 0.740 0.01 . . . . . . X 31 ILE HD11 . 36085 1 370 . 1 1 31 31 ILE HD12 H 1 0.740 0.01 . . . . . . X 31 ILE HD12 . 36085 1 371 . 1 1 31 31 ILE HD13 H 1 0.740 0.01 . . . . . . X 31 ILE HD13 . 36085 1 372 . 1 1 31 31 ILE C C 13 175.4800 0.05 . . . . . . X 31 ILE C . 36085 1 373 . 1 1 31 31 ILE CA C 13 61.6800 0.05 . . . . . . X 31 ILE CA . 36085 1 374 . 1 1 31 31 ILE CB C 13 40.7000 0.05 . . . . . . X 31 ILE CB . 36085 1 375 . 1 1 31 31 ILE CG1 C 13 28.70 0.05 . . . . . . X 31 ILE CG1 . 36085 1 376 . 1 1 31 31 ILE CG2 C 13 18.72 0.05 . . . . . . X 31 ILE CG2 . 36085 1 377 . 1 1 31 31 ILE CD1 C 13 14.96 0.05 . . . . . . X 31 ILE CD1 . 36085 1 378 . 1 1 31 31 ILE N N 15 126.3640 0.05 . . . . . . X 31 ILE N . 36085 1 379 . 1 1 32 32 ILE H H 1 9.3862 0.01 . . . . . . X 32 ILE H . 36085 1 380 . 1 1 32 32 ILE HA H 1 4.523 0.01 . . . . . . X 32 ILE HA . 36085 1 381 . 1 1 32 32 ILE HB H 1 1.881 0.01 . . . . . . X 32 ILE HB . 36085 1 382 . 1 1 32 32 ILE HG12 H 1 0.826 0.01 . . . . . . X 32 ILE HG12 . 36085 1 383 . 1 1 32 32 ILE HG13 H 1 1.807 0.01 . . . . . . X 32 ILE HG13 . 36085 1 384 . 1 1 32 32 ILE HG21 H 1 0.790 0.01 . . . . . . X 32 ILE HG21 . 36085 1 385 . 1 1 32 32 ILE HG22 H 1 0.790 0.01 . . . . . . X 32 ILE HG22 . 36085 1 386 . 1 1 32 32 ILE HG23 H 1 0.790 0.01 . . . . . . X 32 ILE HG23 . 36085 1 387 . 1 1 32 32 ILE HD11 H 1 1.061 0.01 . . . . . . X 32 ILE HD11 . 36085 1 388 . 1 1 32 32 ILE HD12 H 1 1.061 0.01 . . . . . . X 32 ILE HD12 . 36085 1 389 . 1 1 32 32 ILE HD13 H 1 1.061 0.01 . . . . . . X 32 ILE HD13 . 36085 1 390 . 1 1 32 32 ILE C C 13 175.4800 0.05 . . . . . . X 32 ILE C . 36085 1 391 . 1 1 32 32 ILE CA C 13 61.4300 0.05 . . . . . . X 32 ILE CA . 36085 1 392 . 1 1 32 32 ILE CB C 13 41.8800 0.05 . . . . . . X 32 ILE CB . 36085 1 393 . 1 1 32 32 ILE CG1 C 13 28.47 0.05 . . . . . . X 32 ILE CG1 . 36085 1 394 . 1 1 32 32 ILE CG2 C 13 19.45 0.05 . . . . . . X 32 ILE CG2 . 36085 1 395 . 1 1 32 32 ILE CD1 C 13 15.50 0.05 . . . . . . X 32 ILE CD1 . 36085 1 396 . 1 1 32 32 ILE N N 15 128.1330 0.05 . . . . . . X 32 ILE N . 36085 1 397 . 1 1 33 33 ARG H H 1 8.7146 0.01 . . . . . . X 33 ARG H . 36085 1 398 . 1 1 33 33 ARG HA H 1 4.4370 0.01 . . . . . . X 33 ARG HA . 36085 1 399 . 1 1 33 33 ARG HB2 H 1 1.7696 0.01 . . . . . . X 33 ARG HB2 . 36085 1 400 . 1 1 33 33 ARG HB3 H 1 1.958 0.01 . . . . . . X 33 ARG HB3 . 36085 1 401 . 1 1 33 33 ARG HG2 H 1 1.541 0.01 . . . . . . X 33 ARG HG2 . 36085 1 402 . 1 1 33 33 ARG HG3 H 1 1.567 0.01 . . . . . . X 33 ARG HG3 . 36085 1 403 . 1 1 33 33 ARG HD2 H 1 3.111 0.01 . . . . . . X 33 ARG HD2 . 36085 1 404 . 1 1 33 33 ARG HD3 H 1 3.131 0.01 . . . . . . X 33 ARG HD3 . 36085 1 405 . 1 1 33 33 ARG C C 13 175.3900 0.05 . . . . . . X 33 ARG C . 36085 1 406 . 1 1 33 33 ARG CA C 13 57.4400 0.05 . . . . . . X 33 ARG CA . 36085 1 407 . 1 1 33 33 ARG CB C 13 30.3200 0.05 . . . . . . X 33 ARG CB . 36085 1 408 . 1 1 33 33 ARG CG C 13 28.60 0.05 . . . . . . X 33 ARG CG . 36085 1 409 . 1 1 33 33 ARG CD C 13 44.35 0.05 . . . . . . X 33 ARG CD . 36085 1 410 . 1 1 33 33 ARG N N 15 128.3860 0.05 . . . . . . X 33 ARG N . 36085 1 411 . 1 1 34 34 VAL H H 1 8.4956 0.01 . . . . . . X 34 VAL H . 36085 1 412 . 1 1 34 34 VAL HA H 1 3.324 0.01 . . . . . . X 34 VAL HA . 36085 1 413 . 1 1 34 34 VAL HB H 1 1.412 0.01 . . . . . . X 34 VAL HB . 36085 1 414 . 1 1 34 34 VAL HG11 H 1 0.543 0.01 . . . . . . X 34 VAL HG11 . 36085 1 415 . 1 1 34 34 VAL HG12 H 1 0.543 0.01 . . . . . . X 34 VAL HG12 . 36085 1 416 . 1 1 34 34 VAL HG13 H 1 0.543 0.01 . . . . . . X 34 VAL HG13 . 36085 1 417 . 1 1 34 34 VAL HG21 H 1 -0.0188 0.01 . . . . . . X 34 VAL HG21 . 36085 1 418 . 1 1 34 34 VAL HG22 H 1 -0.0188 0.01 . . . . . . X 34 VAL HG22 . 36085 1 419 . 1 1 34 34 VAL HG23 H 1 -0.0188 0.01 . . . . . . X 34 VAL HG23 . 36085 1 420 . 1 1 34 34 VAL C C 13 175.7700 0.05 . . . . . . X 34 VAL C . 36085 1 421 . 1 1 34 34 VAL CA C 13 65.5300 0.05 . . . . . . X 34 VAL CA . 36085 1 422 . 1 1 34 34 VAL CB C 13 33.0500 0.05 . . . . . . X 34 VAL CB . 36085 1 423 . 1 1 34 34 VAL CG1 C 13 21.41 0.05 . . . . . . X 34 VAL CG1 . 36085 1 424 . 1 1 34 34 VAL N N 15 129.5580 0.05 . . . . . . X 34 VAL N . 36085 1 425 . 1 1 35 35 ASN H H 1 7.4781 0.01 . . . . . . X 35 ASN H . 36085 1 426 . 1 1 35 35 ASN HA H 1 4.7068 0.01 . . . . . . X 35 ASN HA . 36085 1 427 . 1 1 35 35 ASN HB2 H 1 3.0210 0.01 . . . . . . X 35 ASN HB2 . 36085 1 428 . 1 1 35 35 ASN HB3 H 1 3.2254 0.01 . . . . . . X 35 ASN HB3 . 36085 1 429 . 1 1 35 35 ASN HD21 H 1 7.7840 0.01 . . . . . . X 35 ASN HD21 . 36085 1 430 . 1 1 35 35 ASN HD22 H 1 7.1422 0.01 . . . . . . X 35 ASN HD22 . 36085 1 431 . 1 1 35 35 ASN C C 13 175.2100 0.05 . . . . . . X 35 ASN C . 36085 1 432 . 1 1 35 35 ASN CA C 13 52.4900 0.05 . . . . . . X 35 ASN CA . 36085 1 433 . 1 1 35 35 ASN CB C 13 40.5800 0.05 . . . . . . X 35 ASN CB . 36085 1 434 . 1 1 35 35 ASN N N 15 111.9960 0.05 . . . . . . X 35 ASN N . 36085 1 435 . 1 1 35 35 ASN ND2 N 15 114.674 0.05 . . . . . . X 35 ASN ND2 . 36085 1 436 . 1 1 36 36 ASN H H 1 8.6390 0.01 . . . . . . X 36 ASN H . 36085 1 437 . 1 1 36 36 ASN HA H 1 4.7620 0.01 . . . . . . X 36 ASN HA . 36085 1 438 . 1 1 36 36 ASN HB2 H 1 2.7524 0.01 . . . . . . X 36 ASN HB2 . 36085 1 439 . 1 1 36 36 ASN HB3 H 1 2.9226 0.01 . . . . . . X 36 ASN HB3 . 36085 1 440 . 1 1 36 36 ASN HD21 H 1 7.6062 0.01 . . . . . . X 36 ASN HD21 . 36085 1 441 . 1 1 36 36 ASN HD22 H 1 6.9329 0.01 . . . . . . X 36 ASN HD22 . 36085 1 442 . 1 1 36 36 ASN C C 13 175.4600 0.05 . . . . . . X 36 ASN C . 36085 1 443 . 1 1 36 36 ASN CA C 13 54.8300 0.05 . . . . . . X 36 ASN CA . 36085 1 444 . 1 1 36 36 ASN CB C 13 39.1300 0.05 . . . . . . X 36 ASN CB . 36085 1 445 . 1 1 36 36 ASN N N 15 116.1480 0.05 . . . . . . X 36 ASN N . 36085 1 446 . 1 1 36 36 ASN ND2 N 15 113.380 0.05 . . . . . . X 36 ASN ND2 . 36085 1 447 . 1 1 37 37 ASP H H 1 8.1708 0.01 . . . . . . X 37 ASP H . 36085 1 448 . 1 1 37 37 ASP HA H 1 4.7074 0.01 . . . . . . X 37 ASP HA . 36085 1 449 . 1 1 37 37 ASP HB2 H 1 2.3965 0.01 . . . . . . X 37 ASP HB2 . 36085 1 450 . 1 1 37 37 ASP HB3 H 1 2.7538 0.01 . . . . . . X 37 ASP HB3 . 36085 1 451 . 1 1 37 37 ASP C C 13 176.5400 0.05 . . . . . . X 37 ASP C . 36085 1 452 . 1 1 37 37 ASP CA C 13 55.2300 0.05 . . . . . . X 37 ASP CA . 36085 1 453 . 1 1 37 37 ASP CB C 13 42.1200 0.05 . . . . . . X 37 ASP CB . 36085 1 454 . 1 1 37 37 ASP N N 15 119.1380 0.05 . . . . . . X 37 ASP N . 36085 1 455 . 1 1 38 38 GLY H H 1 7.9492 0.01 . . . . . . X 38 GLY H . 36085 1 456 . 1 1 38 38 GLY HA2 H 1 3.586 0.01 . . . . . . X 38 GLY HA2 . 36085 1 457 . 1 1 38 38 GLY HA3 H 1 4.196 0.01 . . . . . . X 38 GLY HA3 . 36085 1 458 . 1 1 38 38 GLY C C 13 174.1200 0.05 . . . . . . X 38 GLY C . 36085 1 459 . 1 1 38 38 GLY CA C 13 46.0500 0.05 . . . . . . X 38 GLY CA . 36085 1 460 . 1 1 38 38 GLY N N 15 106.6790 0.05 . . . . . . X 38 GLY N . 36085 1 461 . 1 1 39 39 ASN H H 1 7.7247 0.01 . . . . . . X 39 ASN H . 36085 1 462 . 1 1 39 39 ASN HA H 1 4.5921 0.01 . . . . . . X 39 ASN HA . 36085 1 463 . 1 1 39 39 ASN HB2 H 1 2.589 0.01 . . . . . . X 39 ASN HB2 . 36085 1 464 . 1 1 39 39 ASN HB3 H 1 2.651 0.01 . . . . . . X 39 ASN HB3 . 36085 1 465 . 1 1 39 39 ASN HD21 H 1 7.4603 0.01 . . . . . . X 39 ASN HD21 . 36085 1 466 . 1 1 39 39 ASN HD22 H 1 7.3541 0.01 . . . . . . X 39 ASN HD22 . 36085 1 467 . 1 1 39 39 ASN C C 13 174.4700 0.05 . . . . . . X 39 ASN C . 36085 1 468 . 1 1 39 39 ASN CA C 13 54.4600 0.05 . . . . . . X 39 ASN CA . 36085 1 469 . 1 1 39 39 ASN CB C 13 39.0200 0.05 . . . . . . X 39 ASN CB . 36085 1 470 . 1 1 39 39 ASN N N 15 119.9270 0.05 . . . . . . X 39 ASN N . 36085 1 471 . 1 1 39 39 ASN ND2 N 15 111.301 0.05 . . . . . . X 39 ASN ND2 . 36085 1 472 . 1 1 40 40 GLU H H 1 8.2101 0.01 . . . . . . X 40 GLU H . 36085 1 473 . 1 1 40 40 GLU HA H 1 4.9859 0.01 . . . . . . X 40 GLU HA . 36085 1 474 . 1 1 40 40 GLU HB2 H 1 1.610 0.01 . . . . . . X 40 GLU HB2 . 36085 1 475 . 1 1 40 40 GLU HB3 H 1 1.718 0.01 . . . . . . X 40 GLU HB3 . 36085 1 476 . 1 1 40 40 GLU HG2 H 1 1.870 0.01 . . . . . . X 40 GLU HG2 . 36085 1 477 . 1 1 40 40 GLU HG3 H 1 2.181 0.01 . . . . . . X 40 GLU HG3 . 36085 1 478 . 1 1 40 40 GLU C C 13 174.1800 0.05 . . . . . . X 40 GLU C . 36085 1 479 . 1 1 40 40 GLU CA C 13 55.4500 0.05 . . . . . . X 40 GLU CA . 36085 1 480 . 1 1 40 40 GLU CB C 13 33.9000 0.05 . . . . . . X 40 GLU CB . 36085 1 481 . 1 1 40 40 GLU CG C 13 37.11 0.05 . . . . . . X 40 GLU CG . 36085 1 482 . 1 1 40 40 GLU N N 15 123.6210 0.05 . . . . . . X 40 GLU N . 36085 1 483 . 1 1 41 41 TYR H H 1 9.3733 0.01 . . . . . . X 41 TYR H . 36085 1 484 . 1 1 41 41 TYR HA H 1 4.4849 0.01 . . . . . . X 41 TYR HA . 36085 1 485 . 1 1 41 41 TYR HB2 H 1 2.5176 0.01 . . . . . . X 41 TYR HB2 . 36085 1 486 . 1 1 41 41 TYR HB3 H 1 3.0544 0.01 . . . . . . X 41 TYR HB3 . 36085 1 487 . 1 1 41 41 TYR HD1 H 1 7.0966 0.01 . . . . . . X 41 TYR HD1 . 36085 1 488 . 1 1 41 41 TYR HE1 H 1 6.7407 0.01 . . . . . . X 41 TYR HE1 . 36085 1 489 . 1 1 41 41 TYR C C 13 174.2900 0.05 . . . . . . X 41 TYR C . 36085 1 490 . 1 1 41 41 TYR CA C 13 58.6500 0.05 . . . . . . X 41 TYR CA . 36085 1 491 . 1 1 41 41 TYR CB C 13 42.1500 0.05 . . . . . . X 41 TYR CB . 36085 1 492 . 1 1 41 41 TYR CD1 C 13 132.491 0.05 . . . . . . X 41 TYR CD1 . 36085 1 493 . 1 1 41 41 TYR CE1 C 13 118.293 0.05 . . . . . . X 41 TYR CE1 . 36085 1 494 . 1 1 41 41 TYR N N 15 126.8180 0.05 . . . . . . X 41 TYR N . 36085 1 495 . 1 1 42 42 VAL H H 1 8.2066 0.01 . . . . . . X 42 VAL H . 36085 1 496 . 1 1 42 42 VAL HA H 1 4.7609 0.01 . . . . . . X 42 VAL HA . 36085 1 497 . 1 1 42 42 VAL HB H 1 1.787 0.01 . . . . . . X 42 VAL HB . 36085 1 498 . 1 1 42 42 VAL HG11 H 1 0.806 0.01 . . . . . . X 42 VAL HG11 . 36085 1 499 . 1 1 42 42 VAL HG12 H 1 0.806 0.01 . . . . . . X 42 VAL HG12 . 36085 1 500 . 1 1 42 42 VAL HG13 H 1 0.806 0.01 . . . . . . X 42 VAL HG13 . 36085 1 501 . 1 1 42 42 VAL HG21 H 1 0.691 0.01 . . . . . . X 42 VAL HG21 . 36085 1 502 . 1 1 42 42 VAL HG22 H 1 0.691 0.01 . . . . . . X 42 VAL HG22 . 36085 1 503 . 1 1 42 42 VAL HG23 H 1 0.691 0.01 . . . . . . X 42 VAL HG23 . 36085 1 504 . 1 1 42 42 VAL C C 13 175.5000 0.05 . . . . . . X 42 VAL C . 36085 1 505 . 1 1 42 42 VAL CA C 13 62.5300 0.05 . . . . . . X 42 VAL CA . 36085 1 506 . 1 1 42 42 VAL CB C 13 34.3200 0.05 . . . . . . X 42 VAL CB . 36085 1 507 . 1 1 42 42 VAL CG1 C 13 21.72 0.05 . . . . . . X 42 VAL CG1 . 36085 1 508 . 1 1 42 42 VAL N N 15 128.2960 0.05 . . . . . . X 42 VAL N . 36085 1 509 . 1 1 43 43 ILE H H 1 9.2885 0.01 . . . . . . X 43 ILE H . 36085 1 510 . 1 1 43 43 ILE HA H 1 4.3526 0.01 . . . . . . X 43 ILE HA . 36085 1 511 . 1 1 43 43 ILE HB H 1 1.9076 0.01 . . . . . . X 43 ILE HB . 36085 1 512 . 1 1 43 43 ILE HG12 H 1 1.282 0.01 . . . . . . X 43 ILE HG12 . 36085 1 513 . 1 1 43 43 ILE HG13 H 1 1.900 0.01 . . . . . . X 43 ILE HG13 . 36085 1 514 . 1 1 43 43 ILE HG21 H 1 1.0787 0.01 . . . . . . X 43 ILE HG21 . 36085 1 515 . 1 1 43 43 ILE HG22 H 1 1.0787 0.01 . . . . . . X 43 ILE HG22 . 36085 1 516 . 1 1 43 43 ILE HG23 H 1 1.0787 0.01 . . . . . . X 43 ILE HG23 . 36085 1 517 . 1 1 43 43 ILE HD11 H 1 1.156 0.01 . . . . . . X 43 ILE HD11 . 36085 1 518 . 1 1 43 43 ILE HD12 H 1 1.156 0.01 . . . . . . X 43 ILE HD12 . 36085 1 519 . 1 1 43 43 ILE HD13 H 1 1.156 0.01 . . . . . . X 43 ILE HD13 . 36085 1 520 . 1 1 43 43 ILE C C 13 174.6100 0.05 . . . . . . X 43 ILE C . 36085 1 521 . 1 1 43 43 ILE CA C 13 61.6500 0.05 . . . . . . X 43 ILE CA . 36085 1 522 . 1 1 43 43 ILE CB C 13 40.9000 0.05 . . . . . . X 43 ILE CB . 36085 1 523 . 1 1 43 43 ILE CG1 C 13 27.91 0.05 . . . . . . X 43 ILE CG1 . 36085 1 524 . 1 1 43 43 ILE CG2 C 13 21.28 0.05 . . . . . . X 43 ILE CG2 . 36085 1 525 . 1 1 43 43 ILE CD1 C 13 15.11 0.05 . . . . . . X 43 ILE CD1 . 36085 1 526 . 1 1 43 43 ILE N N 15 127.4490 0.05 . . . . . . X 43 ILE N . 36085 1 527 . 1 1 44 44 SER H H 1 8.8061 0.01 . . . . . . X 44 SER H . 36085 1 528 . 1 1 44 44 SER HA H 1 5.1691 0.01 . . . . . . X 44 SER HA . 36085 1 529 . 1 1 44 44 SER HB2 H 1 3.668 0.01 . . . . . . X 44 SER HB2 . 36085 1 530 . 1 1 44 44 SER HB3 H 1 3.793 0.01 . . . . . . X 44 SER HB3 . 36085 1 531 . 1 1 44 44 SER C C 13 173.7800 0.05 . . . . . . X 44 SER C . 36085 1 532 . 1 1 44 44 SER CA C 13 57.6400 0.05 . . . . . . X 44 SER CA . 36085 1 533 . 1 1 44 44 SER CB C 13 65.6100 0.05 . . . . . . X 44 SER CB . 36085 1 534 . 1 1 44 44 SER N N 15 122.4450 0.05 . . . . . . X 44 SER N . 36085 1 535 . 1 1 45 45 GLU H H 1 8.2890 0.01 . . . . . . X 45 GLU H . 36085 1 536 . 1 1 45 45 GLU HA H 1 4.1059 0.01 . . . . . . X 45 GLU HA . 36085 1 537 . 1 1 45 45 GLU HB2 H 1 2.074 0.01 . . . . . . X 45 GLU HB2 . 36085 1 538 . 1 1 45 45 GLU HB3 H 1 2.118 0.01 . . . . . . X 45 GLU HB3 . 36085 1 539 . 1 1 45 45 GLU HG2 H 1 2.274 0.01 . . . . . . X 45 GLU HG2 . 36085 1 540 . 1 1 45 45 GLU HG3 H 1 2.387 0.01 . . . . . . X 45 GLU HG3 . 36085 1 541 . 1 1 45 45 GLU C C 13 175.6200 0.05 . . . . . . X 45 GLU C . 36085 1 542 . 1 1 45 45 GLU CA C 13 58.1200 0.05 . . . . . . X 45 GLU CA . 36085 1 543 . 1 1 45 45 GLU CB C 13 31.5100 0.05 . . . . . . X 45 GLU CB . 36085 1 544 . 1 1 45 45 GLU CG C 13 36.82 0.05 . . . . . . X 45 GLU CG . 36085 1 545 . 1 1 45 45 GLU N N 15 123.8970 0.05 . . . . . . X 45 GLU N . 36085 1 546 . 1 1 46 46 SER H H 1 8.3620 0.01 . . . . . . X 46 SER H . 36085 1 547 . 1 1 46 46 SER HA H 1 4.887 0.01 . . . . . . X 46 SER HA . 36085 1 548 . 1 1 46 46 SER HB2 H 1 3.957 0.01 . . . . . . X 46 SER HB2 . 36085 1 549 . 1 1 46 46 SER HB3 H 1 4.107 0.01 . . . . . . X 46 SER HB3 . 36085 1 550 . 1 1 46 46 SER C C 13 173.9300 0.05 . . . . . . X 46 SER C . 36085 1 551 . 1 1 46 46 SER CA C 13 58.1100 0.05 . . . . . . X 46 SER CA . 36085 1 552 . 1 1 46 46 SER CB C 13 66.9300 0.05 . . . . . . X 46 SER CB . 36085 1 553 . 1 1 46 46 SER N N 15 119.1600 0.05 . . . . . . X 46 SER N . 36085 1 554 . 1 1 47 47 GLU HA H 1 4.001 0.01 . . . . . . X 47 GLU HA . 36085 1 555 . 1 1 47 47 GLU HB2 H 1 1.971 0.01 . . . . . . X 47 GLU HB2 . 36085 1 556 . 1 1 47 47 GLU HB3 H 1 1.971 0.01 . . . . . . X 47 GLU HB3 . 36085 1 557 . 1 1 47 47 GLU C C 13 176.8500 0.05 . . . . . . X 47 GLU C . 36085 1 558 . 1 1 47 47 GLU CA C 13 59.9400 0.05 . . . . . . X 47 GLU CA . 36085 1 559 . 1 1 47 47 GLU CB C 13 30.2100 0.05 . . . . . . X 47 GLU CB . 36085 1 560 . 1 1 48 48 ASN H H 1 8.2945 0.01 . . . . . . X 48 ASN H . 36085 1 561 . 1 1 48 48 ASN HA H 1 4.7699 0.01 . . . . . . X 48 ASN HA . 36085 1 562 . 1 1 48 48 ASN HB2 H 1 2.8006 0.01 . . . . . . X 48 ASN HB2 . 36085 1 563 . 1 1 48 48 ASN HB3 H 1 2.8006 0.01 . . . . . . X 48 ASN HB3 . 36085 1 564 . 1 1 48 48 ASN HD21 H 1 7.600 0.01 . . . . . . X 48 ASN HD21 . 36085 1 565 . 1 1 48 48 ASN HD22 H 1 6.921 0.01 . . . . . . X 48 ASN HD22 . 36085 1 566 . 1 1 48 48 ASN C C 13 174.5000 0.05 . . . . . . X 48 ASN C . 36085 1 567 . 1 1 48 48 ASN CA C 13 54.0700 0.05 . . . . . . X 48 ASN CA . 36085 1 568 . 1 1 48 48 ASN CB C 13 40.3800 0.05 . . . . . . X 48 ASN CB . 36085 1 569 . 1 1 48 48 ASN N N 15 113.2790 0.05 . . . . . . X 48 ASN N . 36085 1 570 . 1 1 48 48 ASN ND2 N 15 112.85 0.05 . . . . . . X 48 ASN ND2 . 36085 1 571 . 1 1 49 49 GLU H H 1 7.3743 0.01 . . . . . . X 49 GLU H . 36085 1 572 . 1 1 49 49 GLU HA H 1 4.584 0.01 . . . . . . X 49 GLU HA . 36085 1 573 . 1 1 49 49 GLU HB2 H 1 1.789 0.01 . . . . . . X 49 GLU HB2 . 36085 1 574 . 1 1 49 49 GLU HB3 H 1 1.847 0.01 . . . . . . X 49 GLU HB3 . 36085 1 575 . 1 1 49 49 GLU HG2 H 1 2.1183 0.01 . . . . . . X 49 GLU HG2 . 36085 1 576 . 1 1 49 49 GLU HG3 H 1 2.1183 0.01 . . . . . . X 49 GLU HG3 . 36085 1 577 . 1 1 49 49 GLU C C 13 173.8700 0.05 . . . . . . X 49 GLU C . 36085 1 578 . 1 1 49 49 GLU CA C 13 57.0400 0.05 . . . . . . X 49 GLU CA . 36085 1 579 . 1 1 49 49 GLU CB C 13 34.0900 0.05 . . . . . . X 49 GLU CB . 36085 1 580 . 1 1 49 49 GLU CG C 13 37.57 0.05 . . . . . . X 49 GLU CG . 36085 1 581 . 1 1 49 49 GLU N N 15 120.2100 0.05 . . . . . . X 49 GLU N . 36085 1 582 . 1 1 50 50 SER H H 1 8.8880 0.01 . . . . . . X 50 SER H . 36085 1 583 . 1 1 50 50 SER HA H 1 4.665 0.01 . . . . . . X 50 SER HA . 36085 1 584 . 1 1 50 50 SER HB2 H 1 3.999 0.01 . . . . . . X 50 SER HB2 . 36085 1 585 . 1 1 50 50 SER HB3 H 1 3.999 0.01 . . . . . . X 50 SER HB3 . 36085 1 586 . 1 1 50 50 SER C C 13 174.7300 0.05 . . . . . . X 50 SER C . 36085 1 587 . 1 1 50 50 SER CA C 13 57.7900 0.05 . . . . . . X 50 SER CA . 36085 1 588 . 1 1 50 50 SER CB C 13 66.7500 0.05 . . . . . . X 50 SER CB . 36085 1 589 . 1 1 50 50 SER N N 15 121.2330 0.05 . . . . . . X 50 SER N . 36085 1 590 . 1 1 51 51 ILE H H 1 8.9361 0.01 . . . . . . X 51 ILE H . 36085 1 591 . 1 1 51 51 ILE HA H 1 3.4958 0.01 . . . . . . X 51 ILE HA . 36085 1 592 . 1 1 51 51 ILE HB H 1 1.7430 0.01 . . . . . . X 51 ILE HB . 36085 1 593 . 1 1 51 51 ILE HG12 H 1 0.863 0.01 . . . . . . X 51 ILE HG12 . 36085 1 594 . 1 1 51 51 ILE HG13 H 1 1.659 0.01 . . . . . . X 51 ILE HG13 . 36085 1 595 . 1 1 51 51 ILE HG21 H 1 0.743 0.01 . . . . . . X 51 ILE HG21 . 36085 1 596 . 1 1 51 51 ILE HG22 H 1 0.743 0.01 . . . . . . X 51 ILE HG22 . 36085 1 597 . 1 1 51 51 ILE HG23 H 1 0.743 0.01 . . . . . . X 51 ILE HG23 . 36085 1 598 . 1 1 51 51 ILE HD11 H 1 0.747 0.01 . . . . . . X 51 ILE HD11 . 36085 1 599 . 1 1 51 51 ILE HD12 H 1 0.747 0.01 . . . . . . X 51 ILE HD12 . 36085 1 600 . 1 1 51 51 ILE HD13 H 1 0.747 0.01 . . . . . . X 51 ILE HD13 . 36085 1 601 . 1 1 51 51 ILE C C 13 177.5800 0.05 . . . . . . X 51 ILE C . 36085 1 602 . 1 1 51 51 ILE CA C 13 66.4300 0.05 . . . . . . X 51 ILE CA . 36085 1 603 . 1 1 51 51 ILE CB C 13 38.4300 0.05 . . . . . . X 51 ILE CB . 36085 1 604 . 1 1 51 51 ILE CG1 C 13 30.89 0.05 . . . . . . X 51 ILE CG1 . 36085 1 605 . 1 1 51 51 ILE CG2 C 13 18.72 0.05 . . . . . . X 51 ILE CG2 . 36085 1 606 . 1 1 51 51 ILE CD1 C 13 14.39 0.05 . . . . . . X 51 ILE CD1 . 36085 1 607 . 1 1 51 51 ILE N N 15 120.2680 0.05 . . . . . . X 51 ILE N . 36085 1 608 . 1 1 52 52 VAL H H 1 7.9199 0.01 . . . . . . X 52 VAL H . 36085 1 609 . 1 1 52 52 VAL HA H 1 3.429 0.01 . . . . . . X 52 VAL HA . 36085 1 610 . 1 1 52 52 VAL HB H 1 1.892 0.01 . . . . . . X 52 VAL HB . 36085 1 611 . 1 1 52 52 VAL HG11 H 1 0.900 0.01 . . . . . . X 52 VAL HG11 . 36085 1 612 . 1 1 52 52 VAL HG12 H 1 0.900 0.01 . . . . . . X 52 VAL HG12 . 36085 1 613 . 1 1 52 52 VAL HG13 H 1 0.900 0.01 . . . . . . X 52 VAL HG13 . 36085 1 614 . 1 1 52 52 VAL HG21 H 1 0.844 0.01 . . . . . . X 52 VAL HG21 . 36085 1 615 . 1 1 52 52 VAL HG22 H 1 0.844 0.01 . . . . . . X 52 VAL HG22 . 36085 1 616 . 1 1 52 52 VAL HG23 H 1 0.844 0.01 . . . . . . X 52 VAL HG23 . 36085 1 617 . 1 1 52 52 VAL C C 13 177.4700 0.05 . . . . . . X 52 VAL C . 36085 1 618 . 1 1 52 52 VAL CA C 13 68.0100 0.05 . . . . . . X 52 VAL CA . 36085 1 619 . 1 1 52 52 VAL CB C 13 32.6300 0.05 . . . . . . X 52 VAL CB . 36085 1 620 . 1 1 52 52 VAL CG1 C 13 22.51 0.05 . . . . . . X 52 VAL CG1 . 36085 1 621 . 1 1 52 52 VAL N N 15 117.1440 0.05 . . . . . . X 52 VAL N . 36085 1 622 . 1 1 53 53 GLU H H 1 7.6729 0.01 . . . . . . X 53 GLU H . 36085 1 623 . 1 1 53 53 GLU HA H 1 3.8883 0.01 . . . . . . X 53 GLU HA . 36085 1 624 . 1 1 53 53 GLU HB2 H 1 2.1440 0.01 . . . . . . X 53 GLU HB2 . 36085 1 625 . 1 1 53 53 GLU HB3 H 1 2.2665 0.01 . . . . . . X 53 GLU HB3 . 36085 1 626 . 1 1 53 53 GLU HG2 H 1 2.309 0.01 . . . . . . X 53 GLU HG2 . 36085 1 627 . 1 1 53 53 GLU C C 13 180.1700 0.05 . . . . . . X 53 GLU C . 36085 1 628 . 1 1 53 53 GLU CA C 13 60.6500 0.05 . . . . . . X 53 GLU CA . 36085 1 629 . 1 1 53 53 GLU CB C 13 30.3200 0.05 . . . . . . X 53 GLU CB . 36085 1 630 . 1 1 53 53 GLU CG C 13 38.122 0.05 . . . . . . X 53 GLU CG . 36085 1 631 . 1 1 53 53 GLU N N 15 118.4230 0.05 . . . . . . X 53 GLU N . 36085 1 632 . 1 1 54 54 LYS H H 1 8.5618 0.01 . . . . . . X 54 LYS H . 36085 1 633 . 1 1 54 54 LYS HA H 1 3.953 0.01 . . . . . . X 54 LYS HA . 36085 1 634 . 1 1 54 54 LYS HB2 H 1 1.743 0.01 . . . . . . X 54 LYS HB2 . 36085 1 635 . 1 1 54 54 LYS HB3 H 1 1.880 0.01 . . . . . . X 54 LYS HB3 . 36085 1 636 . 1 1 54 54 LYS HG2 H 1 1.319 0.01 . . . . . . X 54 LYS HG2 . 36085 1 637 . 1 1 54 54 LYS HG3 H 1 1.610 0.01 . . . . . . X 54 LYS HG3 . 36085 1 638 . 1 1 54 54 LYS HD2 H 1 1.652 0.01 . . . . . . X 54 LYS HD2 . 36085 1 639 . 1 1 54 54 LYS HD3 H 1 1.652 0.01 . . . . . . X 54 LYS HD3 . 36085 1 640 . 1 1 54 54 LYS HE2 H 1 2.950 0.01 . . . . . . X 54 LYS HE2 . 36085 1 641 . 1 1 54 54 LYS HE3 H 1 3.046 0.01 . . . . . . X 54 LYS HE3 . 36085 1 642 . 1 1 54 54 LYS C C 13 179.2900 0.05 . . . . . . X 54 LYS C . 36085 1 643 . 1 1 54 54 LYS CA C 13 60.5800 0.05 . . . . . . X 54 LYS CA . 36085 1 644 . 1 1 54 54 LYS CB C 13 34.0500 0.05 . . . . . . X 54 LYS CB . 36085 1 645 . 1 1 54 54 LYS CG C 13 26.86 0.05 . . . . . . X 54 LYS CG . 36085 1 646 . 1 1 54 54 LYS CD C 13 30.285 0.05 . . . . . . X 54 LYS CD . 36085 1 647 . 1 1 54 54 LYS CE C 13 43.290 0.05 . . . . . . X 54 LYS CE . 36085 1 648 . 1 1 54 54 LYS N N 15 120.0400 0.05 . . . . . . X 54 LYS N . 36085 1 649 . 1 1 55 55 PHE H H 1 8.8743 0.01 . . . . . . X 55 PHE H . 36085 1 650 . 1 1 55 55 PHE HA H 1 3.853 0.01 . . . . . . X 55 PHE HA . 36085 1 651 . 1 1 55 55 PHE HB2 H 1 2.896 0.01 . . . . . . X 55 PHE HB2 . 36085 1 652 . 1 1 55 55 PHE HB3 H 1 3.549 0.01 . . . . . . X 55 PHE HB3 . 36085 1 653 . 1 1 55 55 PHE HD1 H 1 6.8898 0.01 . . . . . . X 55 PHE HD1 . 36085 1 654 . 1 1 55 55 PHE HE1 H 1 6.8234 0.01 . . . . . . X 55 PHE HE1 . 36085 1 655 . 1 1 55 55 PHE C C 13 176.3800 0.05 . . . . . . X 55 PHE C . 36085 1 656 . 1 1 55 55 PHE CA C 13 62.9800 0.05 . . . . . . X 55 PHE CA . 36085 1 657 . 1 1 55 55 PHE CB C 13 40.3600 0.05 . . . . . . X 55 PHE CB . 36085 1 658 . 1 1 55 55 PHE CD1 C 13 131.488 0.05 . . . . . . X 55 PHE CD1 . 36085 1 659 . 1 1 55 55 PHE CE1 C 13 131.555 0.05 . . . . . . X 55 PHE CE1 . 36085 1 660 . 1 1 55 55 PHE N N 15 122.4750 0.05 . . . . . . X 55 PHE N . 36085 1 661 . 1 1 56 56 ILE H H 1 8.4778 0.01 . . . . . . X 56 ILE H . 36085 1 662 . 1 1 56 56 ILE HA H 1 3.607 0.01 . . . . . . X 56 ILE HA . 36085 1 663 . 1 1 56 56 ILE HB H 1 1.984 0.01 . . . . . . X 56 ILE HB . 36085 1 664 . 1 1 56 56 ILE HG12 H 1 1.254 0.01 . . . . . . X 56 ILE HG12 . 36085 1 665 . 1 1 56 56 ILE HG13 H 1 2.007 0.01 . . . . . . X 56 ILE HG13 . 36085 1 666 . 1 1 56 56 ILE HG21 H 1 0.954 0.01 . . . . . . X 56 ILE HG21 . 36085 1 667 . 1 1 56 56 ILE HG22 H 1 0.954 0.01 . . . . . . X 56 ILE HG22 . 36085 1 668 . 1 1 56 56 ILE HG23 H 1 0.954 0.01 . . . . . . X 56 ILE HG23 . 36085 1 669 . 1 1 56 56 ILE HD11 H 1 0.930 0.01 . . . . . . X 56 ILE HD11 . 36085 1 670 . 1 1 56 56 ILE HD12 H 1 0.930 0.01 . . . . . . X 56 ILE HD12 . 36085 1 671 . 1 1 56 56 ILE HD13 H 1 0.930 0.01 . . . . . . X 56 ILE HD13 . 36085 1 672 . 1 1 56 56 ILE C C 13 177.9700 0.05 . . . . . . X 56 ILE C . 36085 1 673 . 1 1 56 56 ILE CA C 13 65.9740 0.05 . . . . . . X 56 ILE CA . 36085 1 674 . 1 1 56 56 ILE CB C 13 38.5800 0.05 . . . . . . X 56 ILE CB . 36085 1 675 . 1 1 56 56 ILE CG1 C 13 29.99 0.05 . . . . . . X 56 ILE CG1 . 36085 1 676 . 1 1 56 56 ILE CG2 C 13 18.40 0.05 . . . . . . X 56 ILE CG2 . 36085 1 677 . 1 1 56 56 ILE CD1 C 13 14.15 0.05 . . . . . . X 56 ILE CD1 . 36085 1 678 . 1 1 56 56 ILE N N 15 119.0930 0.05 . . . . . . X 56 ILE N . 36085 1 679 . 1 1 57 57 SER H H 1 8.0716 0.01 . . . . . . X 57 SER H . 36085 1 680 . 1 1 57 57 SER HA H 1 3.996 0.01 . . . . . . X 57 SER HA . 36085 1 681 . 1 1 57 57 SER HB2 H 1 3.849 0.01 . . . . . . X 57 SER HB2 . 36085 1 682 . 1 1 57 57 SER HB3 H 1 3.909 0.01 . . . . . . X 57 SER HB3 . 36085 1 683 . 1 1 57 57 SER C C 13 177.9700 0.05 . . . . . . X 57 SER C . 36085 1 684 . 1 1 57 57 SER CA C 13 62.3700 0.05 . . . . . . X 57 SER CA . 36085 1 685 . 1 1 57 57 SER CB C 13 63.7700 0.05 . . . . . . X 57 SER CB . 36085 1 686 . 1 1 57 57 SER N N 15 112.2540 0.05 . . . . . . X 57 SER N . 36085 1 687 . 1 1 58 58 ALA H H 1 7.9071 0.01 . . . . . . X 58 ALA H . 36085 1 688 . 1 1 58 58 ALA HA H 1 3.8828 0.01 . . . . . . X 58 ALA HA . 36085 1 689 . 1 1 58 58 ALA HB1 H 1 0.574 0.01 . . . . . . X 58 ALA HB1 . 36085 1 690 . 1 1 58 58 ALA HB2 H 1 0.574 0.01 . . . . . . X 58 ALA HB2 . 36085 1 691 . 1 1 58 58 ALA HB3 H 1 0.574 0.01 . . . . . . X 58 ALA HB3 . 36085 1 692 . 1 1 58 58 ALA C C 13 180.4800 0.05 . . . . . . X 58 ALA C . 36085 1 693 . 1 1 58 58 ALA CA C 13 54.89 0.05 . . . . . . X 58 ALA CA . 36085 1 694 . 1 1 58 58 ALA CB C 13 18.6100 0.05 . . . . . . X 58 ALA CB . 36085 1 695 . 1 1 58 58 ALA N N 15 121.1260 0.05 . . . . . . X 58 ALA N . 36085 1 696 . 1 1 59 59 PHE H H 1 7.3312 0.01 . . . . . . X 59 PHE H . 36085 1 697 . 1 1 59 59 PHE HA H 1 4.760 0.01 . . . . . . X 59 PHE HA . 36085 1 698 . 1 1 59 59 PHE HB2 H 1 1.6983 0.01 . . . . . . X 59 PHE HB2 . 36085 1 699 . 1 1 59 59 PHE HB3 H 1 2.491 0.01 . . . . . . X 59 PHE HB3 . 36085 1 700 . 1 1 59 59 PHE HD1 H 1 6.2862 0.01 . . . . . . X 59 PHE HD1 . 36085 1 701 . 1 1 59 59 PHE C C 13 178.2900 0.05 . . . . . . X 59 PHE C . 36085 1 702 . 1 1 59 59 PHE CA C 13 59.3200 0.05 . . . . . . X 59 PHE CA . 36085 1 703 . 1 1 59 59 PHE CB C 13 40.7700 0.05 . . . . . . X 59 PHE CB . 36085 1 704 . 1 1 59 59 PHE CD1 C 13 128.8089 0.05 . . . . . . X 59 PHE CD1 . 36085 1 705 . 1 1 59 59 PHE N N 15 111.5140 0.05 . . . . . . X 59 PHE N . 36085 1 706 . 1 1 60 60 LYS H H 1 8.3784 0.01 . . . . . . X 60 LYS H . 36085 1 707 . 1 1 60 60 LYS HA H 1 4.428 0.01 . . . . . . X 60 LYS HA . 36085 1 708 . 1 1 60 60 LYS HB2 H 1 1.993 0.01 . . . . . . X 60 LYS HB2 . 36085 1 709 . 1 1 60 60 LYS HB3 H 1 1.993 0.01 . . . . . . X 60 LYS HB3 . 36085 1 710 . 1 1 60 60 LYS HG2 H 1 1.162 0.01 . . . . . . X 60 LYS HG2 . 36085 1 711 . 1 1 60 60 LYS HG3 H 1 1.518 0.01 . . . . . . X 60 LYS HG3 . 36085 1 712 . 1 1 60 60 LYS HD2 H 1 1.600 0.01 . . . . . . X 60 LYS HD2 . 36085 1 713 . 1 1 60 60 LYS HD3 H 1 1.600 0.01 . . . . . . X 60 LYS HD3 . 36085 1 714 . 1 1 60 60 LYS HE2 H 1 2.923 0.01 . . . . . . X 60 LYS HE2 . 36085 1 715 . 1 1 60 60 LYS HE3 H 1 2.923 0.01 . . . . . . X 60 LYS HE3 . 36085 1 716 . 1 1 60 60 LYS C C 13 177.2300 0.05 . . . . . . X 60 LYS C . 36085 1 717 . 1 1 60 60 LYS CA C 13 60.4100 0.05 . . . . . . X 60 LYS CA . 36085 1 718 . 1 1 60 60 LYS CB C 13 31.6600 0.05 . . . . . . X 60 LYS CB . 36085 1 719 . 1 1 60 60 LYS CG C 13 23.95 0.05 . . . . . . X 60 LYS CG . 36085 1 720 . 1 1 60 60 LYS CD C 13 30.69 0.05 . . . . . . X 60 LYS CD . 36085 1 721 . 1 1 60 60 LYS CE C 13 42.87 0.05 . . . . . . X 60 LYS CE . 36085 1 722 . 1 1 60 60 LYS N N 15 120.3860 0.05 . . . . . . X 60 LYS N . 36085 1 723 . 1 1 61 61 ASN H H 1 8.2860 0.01 . . . . . . X 61 ASN H . 36085 1 724 . 1 1 61 61 ASN HA H 1 4.898 0.01 . . . . . . X 61 ASN HA . 36085 1 725 . 1 1 61 61 ASN HB2 H 1 2.658 0.01 . . . . . . X 61 ASN HB2 . 36085 1 726 . 1 1 61 61 ASN HB3 H 1 2.931 0.01 . . . . . . X 61 ASN HB3 . 36085 1 727 . 1 1 61 61 ASN HD21 H 1 7.6492 0.01 . . . . . . X 61 ASN HD21 . 36085 1 728 . 1 1 61 61 ASN HD22 H 1 6.9383 0.01 . . . . . . X 61 ASN HD22 . 36085 1 729 . 1 1 61 61 ASN C C 13 175.8400 0.05 . . . . . . X 61 ASN C . 36085 1 730 . 1 1 61 61 ASN CA C 13 53.9000 0.05 . . . . . . X 61 ASN CA . 36085 1 731 . 1 1 61 61 ASN CB C 13 39.7400 0.05 . . . . . . X 61 ASN CB . 36085 1 732 . 1 1 61 61 ASN N N 15 116.1550 0.05 . . . . . . X 61 ASN N . 36085 1 733 . 1 1 61 61 ASN ND2 N 15 114.174 0.05 . . . . . . X 61 ASN ND2 . 36085 1 734 . 1 1 62 62 GLY H H 1 7.7196 0.01 . . . . . . X 62 GLY H . 36085 1 735 . 1 1 62 62 GLY HA2 H 1 3.650 0.01 . . . . . . X 62 GLY HA2 . 36085 1 736 . 1 1 62 62 GLY HA3 H 1 4.259 0.01 . . . . . . X 62 GLY HA3 . 36085 1 737 . 1 1 62 62 GLY C C 13 173.6200 0.05 . . . . . . X 62 GLY C . 36085 1 738 . 1 1 62 62 GLY CA C 13 45.9400 0.05 . . . . . . X 62 GLY CA . 36085 1 739 . 1 1 62 62 GLY N N 15 107.5430 0.05 . . . . . . X 62 GLY N . 36085 1 740 . 1 1 63 63 TRP H H 1 8.9605 0.01 . . . . . . X 63 TRP H . 36085 1 741 . 1 1 63 63 TRP HA H 1 4.112 0.01 . . . . . . X 63 TRP HA . 36085 1 742 . 1 1 63 63 TRP HB2 H 1 3.163 0.01 . . . . . . X 63 TRP HB2 . 36085 1 743 . 1 1 63 63 TRP HB3 H 1 3.437 0.01 . . . . . . X 63 TRP HB3 . 36085 1 744 . 1 1 63 63 TRP HD1 H 1 6.5846 0.01 . . . . . . X 63 TRP HD1 . 36085 1 745 . 1 1 63 63 TRP HE1 H 1 10.385 0.01 . . . . . . X 63 TRP HE1 . 36085 1 746 . 1 1 63 63 TRP HE3 H 1 7.6710 0.01 . . . . . . X 63 TRP HE3 . 36085 1 747 . 1 1 63 63 TRP HZ2 H 1 6.8767 0.01 . . . . . . X 63 TRP HZ2 . 36085 1 748 . 1 1 63 63 TRP HZ3 H 1 7.1271 0.01 . . . . . . X 63 TRP HZ3 . 36085 1 749 . 1 1 63 63 TRP HH2 H 1 7.1567 0.01 . . . . . . X 63 TRP HH2 . 36085 1 750 . 1 1 63 63 TRP C C 13 175.4100 0.05 . . . . . . X 63 TRP C . 36085 1 751 . 1 1 63 63 TRP CA C 13 59.2700 0.05 . . . . . . X 63 TRP CA . 36085 1 752 . 1 1 63 63 TRP CB C 13 29.1200 0.05 . . . . . . X 63 TRP CB . 36085 1 753 . 1 1 63 63 TRP CD1 C 13 125.789 0.05 . . . . . . X 63 TRP CD1 . 36085 1 754 . 1 1 63 63 TRP CE3 C 13 121.597 0.05 . . . . . . X 63 TRP CE3 . 36085 1 755 . 1 1 63 63 TRP CZ2 C 13 113.864 0.05 . . . . . . X 63 TRP CZ2 . 36085 1 756 . 1 1 63 63 TRP CZ3 C 13 123.910 0.05 . . . . . . X 63 TRP CZ3 . 36085 1 757 . 1 1 63 63 TRP CH2 C 13 126.116 0.05 . . . . . . X 63 TRP CH2 . 36085 1 758 . 1 1 63 63 TRP N N 15 119.4600 0.05 . . . . . . X 63 TRP N . 36085 1 759 . 1 1 63 63 TRP NE1 N 15 134.234 0.05 . . . . . . X 63 TRP NE1 . 36085 1 760 . 1 1 64 64 ASN H H 1 5.9471 0.01 . . . . . . X 64 ASN H . 36085 1 761 . 1 1 64 64 ASN HA H 1 4.196 0.01 . . . . . . X 64 ASN HA . 36085 1 762 . 1 1 64 64 ASN HB2 H 1 2.616 0.01 . . . . . . X 64 ASN HB2 . 36085 1 763 . 1 1 64 64 ASN HB3 H 1 3.054 0.01 . . . . . . X 64 ASN HB3 . 36085 1 764 . 1 1 64 64 ASN HD21 H 1 7.6900 0.01 . . . . . . X 64 ASN HD21 . 36085 1 765 . 1 1 64 64 ASN HD22 H 1 7.2927 0.01 . . . . . . X 64 ASN HD22 . 36085 1 766 . 1 1 64 64 ASN C C 13 174.4100 0.05 . . . . . . X 64 ASN C . 36085 1 767 . 1 1 64 64 ASN CA C 13 53.2200 0.05 . . . . . . X 64 ASN CA . 36085 1 768 . 1 1 64 64 ASN CB C 13 38.1700 0.05 . . . . . . X 64 ASN CB . 36085 1 769 . 1 1 64 64 ASN N N 15 127.0360 0.05 . . . . . . X 64 ASN N . 36085 1 770 . 1 1 64 64 ASN ND2 N 15 112.894 0.05 . . . . . . X 64 ASN ND2 . 36085 1 771 . 1 1 65 65 GLN HA H 1 0.403 0.01 . . . . . . X 65 GLN HA . 36085 1 772 . 1 1 65 65 GLN HB2 H 1 1.542 0.01 . . . . . . X 65 GLN HB2 . 36085 1 773 . 1 1 65 65 GLN HB3 H 1 1.691 0.01 . . . . . . X 65 GLN HB3 . 36085 1 774 . 1 1 65 65 GLN HG2 H 1 1.444 0.01 . . . . . . X 65 GLN HG2 . 36085 1 775 . 1 1 65 65 GLN HG3 H 1 1.541 0.01 . . . . . . X 65 GLN HG3 . 36085 1 776 . 1 1 65 65 GLN HE21 H 1 7.1774 0.01 . . . . . . X 65 GLN HE21 . 36085 1 777 . 1 1 65 65 GLN HE22 H 1 6.6850 0.01 . . . . . . X 65 GLN HE22 . 36085 1 778 . 1 1 65 65 GLN C C 13 174.6800 0.05 . . . . . . X 65 GLN C . 36085 1 779 . 1 1 65 65 GLN CA C 13 57.4700 0.05 . . . . . . X 65 GLN CA . 36085 1 780 . 1 1 65 65 GLN CB C 13 25.957 0.05 . . . . . . X 65 GLN CB . 36085 1 781 . 1 1 65 65 GLN CG C 13 34.75 0.05 . . . . . . X 65 GLN CG . 36085 1 782 . 1 1 65 65 GLN NE2 N 15 112.177 0.05 . . . . . . X 65 GLN NE2 . 36085 1 783 . 1 1 66 66 GLU H H 1 6.5632 0.01 . . . . . . X 66 GLU H . 36085 1 784 . 1 1 66 66 GLU HA H 1 3.638 0.01 . . . . . . X 66 GLU HA . 36085 1 785 . 1 1 66 66 GLU HB2 H 1 1.488 0.01 . . . . . . X 66 GLU HB2 . 36085 1 786 . 1 1 66 66 GLU HB3 H 1 1.570 0.01 . . . . . . X 66 GLU HB3 . 36085 1 787 . 1 1 66 66 GLU HG2 H 1 1.366 0.01 . . . . . . X 66 GLU HG2 . 36085 1 788 . 1 1 66 66 GLU HG3 H 1 1.663 0.01 . . . . . . X 66 GLU HG3 . 36085 1 789 . 1 1 66 66 GLU C C 13 176.5500 0.05 . . . . . . X 66 GLU C . 36085 1 790 . 1 1 66 66 GLU CA C 13 60.7400 0.05 . . . . . . X 66 GLU CA . 36085 1 791 . 1 1 66 66 GLU CB C 13 30.6900 0.05 . . . . . . X 66 GLU CB . 36085 1 792 . 1 1 66 66 GLU CG C 13 36.60 0.05 . . . . . . X 66 GLU CG . 36085 1 793 . 1 1 66 66 GLU N N 15 119.4150 0.05 . . . . . . X 66 GLU N . 36085 1 794 . 1 1 67 67 TYR H H 1 9.0178 0.01 . . . . . . X 67 TYR H . 36085 1 795 . 1 1 67 67 TYR HA H 1 5.056 0.01 . . . . . . X 67 TYR HA . 36085 1 796 . 1 1 67 67 TYR HB2 H 1 2.857 0.01 . . . . . . X 67 TYR HB2 . 36085 1 797 . 1 1 67 67 TYR HB3 H 1 3.321 0.01 . . . . . . X 67 TYR HB3 . 36085 1 798 . 1 1 67 67 TYR HD1 H 1 7.3267 0.01 . . . . . . X 67 TYR HD1 . 36085 1 799 . 1 1 67 67 TYR HE1 H 1 6.850 0.01 . . . . . . X 67 TYR HE1 . 36085 1 800 . 1 1 67 67 TYR C C 13 177.6400 0.05 . . . . . . X 67 TYR C . 36085 1 801 . 1 1 67 67 TYR CA C 13 57.5300 0.05 . . . . . . X 67 TYR CA . 36085 1 802 . 1 1 67 67 TYR CB C 13 39.5500 0.05 . . . . . . X 67 TYR CB . 36085 1 803 . 1 1 67 67 TYR CD1 C 13 133.768 0.05 . . . . . . X 67 TYR CD1 . 36085 1 804 . 1 1 67 67 TYR CE1 C 13 118.251 0.05 . . . . . . X 67 TYR CE1 . 36085 1 805 . 1 1 67 67 TYR N N 15 117.2100 0.05 . . . . . . X 67 TYR N . 36085 1 806 . 1 1 68 68 GLU H H 1 9.5251 0.01 . . . . . . X 68 GLU H . 36085 1 807 . 1 1 68 68 GLU HA H 1 4.156 0.01 . . . . . . X 68 GLU HA . 36085 1 808 . 1 1 68 68 GLU HB2 H 1 2.143 0.01 . . . . . . X 68 GLU HB2 . 36085 1 809 . 1 1 68 68 GLU HB3 H 1 2.143 0.01 . . . . . . X 68 GLU HB3 . 36085 1 810 . 1 1 68 68 GLU HG2 H 1 2.442 0.01 . . . . . . X 68 GLU HG2 . 36085 1 811 . 1 1 68 68 GLU HG3 H 1 2.489 0.01 . . . . . . X 68 GLU HG3 . 36085 1 812 . 1 1 68 68 GLU C C 13 178.0900 0.05 . . . . . . X 68 GLU C . 36085 1 813 . 1 1 68 68 GLU CA C 13 60.9900 0.05 . . . . . . X 68 GLU CA . 36085 1 814 . 1 1 68 68 GLU CB C 13 30.4600 0.05 . . . . . . X 68 GLU CB . 36085 1 815 . 1 1 68 68 GLU CG C 13 37.39 0.05 . . . . . . X 68 GLU CG . 36085 1 816 . 1 1 68 68 GLU N N 15 127.2950 0.05 . . . . . . X 68 GLU N . 36085 1 817 . 1 1 69 69 ASP H H 1 8.9388 0.01 . . . . . . X 69 ASP H . 36085 1 818 . 1 1 69 69 ASP HA H 1 4.5591 0.01 . . . . . . X 69 ASP HA . 36085 1 819 . 1 1 69 69 ASP HB2 H 1 2.732 0.01 . . . . . . X 69 ASP HB2 . 36085 1 820 . 1 1 69 69 ASP HB3 H 1 2.787 0.01 . . . . . . X 69 ASP HB3 . 36085 1 821 . 1 1 69 69 ASP C C 13 176.8100 0.05 . . . . . . X 69 ASP C . 36085 1 822 . 1 1 69 69 ASP CA C 13 55.9500 0.05 . . . . . . X 69 ASP CA . 36085 1 823 . 1 1 69 69 ASP CB C 13 40.3200 0.05 . . . . . . X 69 ASP CB . 36085 1 824 . 1 1 69 69 ASP N N 15 116.6470 0.05 . . . . . . X 69 ASP N . 36085 1 825 . 1 1 70 70 GLU H H 1 7.9500 0.01 . . . . . . X 70 GLU H . 36085 1 826 . 1 1 70 70 GLU HA H 1 4.626 0.01 . . . . . . X 70 GLU HA . 36085 1 827 . 1 1 70 70 GLU HB2 H 1 2.733 0.01 . . . . . . X 70 GLU HB2 . 36085 1 828 . 1 1 70 70 GLU HB3 H 1 2.906 0.01 . . . . . . X 70 GLU HB3 . 36085 1 829 . 1 1 70 70 GLU HG2 H 1 2.184 0.01 . . . . . . X 70 GLU HG2 . 36085 1 830 . 1 1 70 70 GLU HG3 H 1 2.556 0.01 . . . . . . X 70 GLU HG3 . 36085 1 831 . 1 1 70 70 GLU C C 13 175.8300 0.05 . . . . . . X 70 GLU C . 36085 1 832 . 1 1 70 70 GLU CA C 13 56.6100 0.05 . . . . . . X 70 GLU CA . 36085 1 833 . 1 1 70 70 GLU CB C 13 32.0500 0.05 . . . . . . X 70 GLU CB . 36085 1 834 . 1 1 70 70 GLU CG C 13 37.70 0.05 . . . . . . X 70 GLU CG . 36085 1 835 . 1 1 70 70 GLU N N 15 117.4200 0.05 . . . . . . X 70 GLU N . 36085 1 836 . 1 1 71 71 GLU H H 1 6.9830 0.01 . . . . . . X 71 GLU H . 36085 1 837 . 1 1 71 71 GLU HA H 1 2.337 0.01 . . . . . . X 71 GLU HA . 36085 1 838 . 1 1 71 71 GLU HB2 H 1 -0.095 0.01 . . . . . . X 71 GLU HB2 . 36085 1 839 . 1 1 71 71 GLU HB3 H 1 1.353 0.01 . . . . . . X 71 GLU HB3 . 36085 1 840 . 1 1 71 71 GLU HG2 H 1 1.356 0.01 . . . . . . X 71 GLU HG2 . 36085 1 841 . 1 1 71 71 GLU HG3 H 1 1.652 0.01 . . . . . . X 71 GLU HG3 . 36085 1 842 . 1 1 71 71 GLU C C 13 176.8500 0.05 . . . . . . X 71 GLU C . 36085 1 843 . 1 1 71 71 GLU CA C 13 60.95 0.05 . . . . . . X 71 GLU CA . 36085 1 844 . 1 1 71 71 GLU CB C 13 29.6100 0.05 . . . . . . X 71 GLU CB . 36085 1 845 . 1 1 71 71 GLU CG C 13 35.84 0.05 . . . . . . X 71 GLU CG . 36085 1 846 . 1 1 71 71 GLU N N 15 122.9390 0.05 . . . . . . X 71 GLU N . 36085 1 847 . 1 1 72 72 GLU H H 1 8.2413 0.01 . . . . . . X 72 GLU H . 36085 1 848 . 1 1 72 72 GLU HA H 1 3.8815 0.01 . . . . . . X 72 GLU HA . 36085 1 849 . 1 1 72 72 GLU HB2 H 1 2.0230 0.01 . . . . . . X 72 GLU HB2 . 36085 1 850 . 1 1 72 72 GLU HB3 H 1 2.0230 0.01 . . . . . . X 72 GLU HB3 . 36085 1 851 . 1 1 72 72 GLU HG2 H 1 2.2382 0.01 . . . . . . X 72 GLU HG2 . 36085 1 852 . 1 1 72 72 GLU HG3 H 1 2.2382 0.01 . . . . . . X 72 GLU HG3 . 36085 1 853 . 1 1 72 72 GLU C C 13 177.9400 0.05 . . . . . . X 72 GLU C . 36085 1 854 . 1 1 72 72 GLU CA C 13 60.8200 0.05 . . . . . . X 72 GLU CA . 36085 1 855 . 1 1 72 72 GLU CB C 13 29.7100 0.05 . . . . . . X 72 GLU CB . 36085 1 856 . 1 1 72 72 GLU CG C 13 37.50 0.05 . . . . . . X 72 GLU CG . 36085 1 857 . 1 1 72 72 GLU N N 15 117.5230 0.05 . . . . . . X 72 GLU N . 36085 1 858 . 1 1 73 73 PHE H H 1 8.2509 0.01 . . . . . . X 73 PHE H . 36085 1 859 . 1 1 73 73 PHE HA H 1 4.594 0.01 . . . . . . X 73 PHE HA . 36085 1 860 . 1 1 73 73 PHE HB2 H 1 3.033 0.01 . . . . . . X 73 PHE HB2 . 36085 1 861 . 1 1 73 73 PHE HB3 H 1 3.447 0.01 . . . . . . X 73 PHE HB3 . 36085 1 862 . 1 1 73 73 PHE HD1 H 1 6.7652 0.01 . . . . . . X 73 PHE HD1 . 36085 1 863 . 1 1 73 73 PHE HE1 H 1 6.4541 0.01 . . . . . . X 73 PHE HE1 . 36085 1 864 . 1 1 73 73 PHE C C 13 177.2700 0.05 . . . . . . X 73 PHE C . 36085 1 865 . 1 1 73 73 PHE CA C 13 61.0000 0.05 . . . . . . X 73 PHE CA . 36085 1 866 . 1 1 73 73 PHE CB C 13 39.8600 0.05 . . . . . . X 73 PHE CB . 36085 1 867 . 1 1 73 73 PHE CD1 C 13 131.6 0.05 . . . . . . X 73 PHE CD1 . 36085 1 868 . 1 1 73 73 PHE CE1 C 13 130.7 0.05 . . . . . . X 73 PHE CE1 . 36085 1 869 . 1 1 73 73 PHE N N 15 120.1130 0.05 . . . . . . X 73 PHE N . 36085 1 870 . 1 1 74 74 TYR H H 1 8.6138 0.01 . . . . . . X 74 TYR H . 36085 1 871 . 1 1 74 74 TYR HA H 1 3.286 0.01 . . . . . . X 74 TYR HA . 36085 1 872 . 1 1 74 74 TYR HB2 H 1 2.641 0.01 . . . . . . X 74 TYR HB2 . 36085 1 873 . 1 1 74 74 TYR HB3 H 1 3.278 0.01 . . . . . . X 74 TYR HB3 . 36085 1 874 . 1 1 74 74 TYR HD1 H 1 7.8080 0.01 . . . . . . X 74 TYR HD1 . 36085 1 875 . 1 1 74 74 TYR HE1 H 1 7.1580 0.01 . . . . . . X 74 TYR HE1 . 36085 1 876 . 1 1 74 74 TYR C C 13 179.4200 0.05 . . . . . . X 74 TYR C . 36085 1 877 . 1 1 74 74 TYR CA C 13 63.4900 0.05 . . . . . . X 74 TYR CA . 36085 1 878 . 1 1 74 74 TYR CB C 13 39.5100 0.05 . . . . . . X 74 TYR CB . 36085 1 879 . 1 1 74 74 TYR CD1 C 13 134.214 0.05 . . . . . . X 74 TYR CD1 . 36085 1 880 . 1 1 74 74 TYR CE1 C 13 118.483 0.05 . . . . . . X 74 TYR CE1 . 36085 1 881 . 1 1 74 74 TYR N N 15 118.3140 0.05 . . . . . . X 74 TYR N . 36085 1 882 . 1 1 75 75 ASN H H 1 8.5193 0.01 . . . . . . X 75 ASN H . 36085 1 883 . 1 1 75 75 ASN HA H 1 4.5509 0.01 . . . . . . X 75 ASN HA . 36085 1 884 . 1 1 75 75 ASN HB2 H 1 2.864 0.01 . . . . . . X 75 ASN HB2 . 36085 1 885 . 1 1 75 75 ASN HB3 H 1 3.006 0.01 . . . . . . X 75 ASN HB3 . 36085 1 886 . 1 1 75 75 ASN HD21 H 1 7.5727 0.01 . . . . . . X 75 ASN HD21 . 36085 1 887 . 1 1 75 75 ASN HD22 H 1 7.1286 0.01 . . . . . . X 75 ASN HD22 . 36085 1 888 . 1 1 75 75 ASN C C 13 178.5900 0.05 . . . . . . X 75 ASN C . 36085 1 889 . 1 1 75 75 ASN CA C 13 56.9300 0.05 . . . . . . X 75 ASN CA . 36085 1 890 . 1 1 75 75 ASN CB C 13 38.0900 0.05 . . . . . . X 75 ASN CB . 36085 1 891 . 1 1 75 75 ASN N N 15 119.3460 0.05 . . . . . . X 75 ASN N . 36085 1 892 . 1 1 75 75 ASN ND2 N 15 111.535 0.05 . . . . . . X 75 ASN ND2 . 36085 1 893 . 1 1 76 76 ASP H H 1 8.9184 0.01 . . . . . . X 76 ASP H . 36085 1 894 . 1 1 76 76 ASP HA H 1 4.4566 0.01 . . . . . . X 76 ASP HA . 36085 1 895 . 1 1 76 76 ASP HB2 H 1 2.2143 0.01 . . . . . . X 76 ASP HB2 . 36085 1 896 . 1 1 76 76 ASP HB3 H 1 3.0030 0.01 . . . . . . X 76 ASP HB3 . 36085 1 897 . 1 1 76 76 ASP C C 13 179.2700 0.05 . . . . . . X 76 ASP C . 36085 1 898 . 1 1 76 76 ASP CA C 13 58.2000 0.05 . . . . . . X 76 ASP CA . 36085 1 899 . 1 1 76 76 ASP CB C 13 41.0500 0.05 . . . . . . X 76 ASP CB . 36085 1 900 . 1 1 76 76 ASP N N 15 123.1700 0.05 . . . . . . X 76 ASP N . 36085 1 901 . 1 1 77 77 MET H H 1 8.2009 0.01 . . . . . . X 77 MET H . 36085 1 902 . 1 1 77 77 MET HA H 1 4.0591 0.01 . . . . . . X 77 MET HA . 36085 1 903 . 1 1 77 77 MET HB2 H 1 0.171 0.01 . . . . . . X 77 MET HB2 . 36085 1 904 . 1 1 77 77 MET HB3 H 1 0.549 0.01 . . . . . . X 77 MET HB3 . 36085 1 905 . 1 1 77 77 MET HG2 H 1 -0.046 0.01 . . . . . . X 77 MET HG2 . 36085 1 906 . 1 1 77 77 MET HG3 H 1 0.739 0.01 . . . . . . X 77 MET HG3 . 36085 1 907 . 1 1 77 77 MET C C 13 179.7700 0.05 . . . . . . X 77 MET C . 36085 1 908 . 1 1 77 77 MET CA C 13 57.5200 0.05 . . . . . . X 77 MET CA . 36085 1 909 . 1 1 77 77 MET CB C 13 34.0600 0.05 . . . . . . X 77 MET CB . 36085 1 910 . 1 1 77 77 MET CG C 13 32.98 0.05 . . . . . . X 77 MET CG . 36085 1 911 . 1 1 77 77 MET N N 15 120.3260 0.05 . . . . . . X 77 MET N . 36085 1 912 . 1 1 78 78 GLN H H 1 8.5037 0.01 . . . . . . X 78 GLN H . 36085 1 913 . 1 1 78 78 GLN HA H 1 3.856 0.01 . . . . . . X 78 GLN HA . 36085 1 914 . 1 1 78 78 GLN HB2 H 1 2.178 0.01 . . . . . . X 78 GLN HB2 . 36085 1 915 . 1 1 78 78 GLN HB3 H 1 2.478 0.01 . . . . . . X 78 GLN HB3 . 36085 1 916 . 1 1 78 78 GLN HG2 H 1 2.133 0.01 . . . . . . X 78 GLN HG2 . 36085 1 917 . 1 1 78 78 GLN HG3 H 1 2.458 0.01 . . . . . . X 78 GLN HG3 . 36085 1 918 . 1 1 78 78 GLN HE21 H 1 7.0348 0.01 . . . . . . X 78 GLN HE21 . 36085 1 919 . 1 1 78 78 GLN HE22 H 1 6.8566 0.01 . . . . . . X 78 GLN HE22 . 36085 1 920 . 1 1 78 78 GLN C C 13 180.2700 0.05 . . . . . . X 78 GLN C . 36085 1 921 . 1 1 78 78 GLN CA C 13 60.0300 0.05 . . . . . . X 78 GLN CA . 36085 1 922 . 1 1 78 78 GLN CB C 13 28.5800 0.05 . . . . . . X 78 GLN CB . 36085 1 923 . 1 1 78 78 GLN CG C 13 33.85 0.05 . . . . . . X 78 GLN CG . 36085 1 924 . 1 1 78 78 GLN N N 15 121.1290 0.05 . . . . . . X 78 GLN N . 36085 1 925 . 1 1 78 78 GLN NE2 N 15 110.505 0.05 . . . . . . X 78 GLN NE2 . 36085 1 926 . 1 1 79 79 THR H H 1 7.9364 0.01 . . . . . . X 79 THR H . 36085 1 927 . 1 1 79 79 THR HA H 1 3.900 0.01 . . . . . . X 79 THR HA . 36085 1 928 . 1 1 79 79 THR HB H 1 4.359 0.01 . . . . . . X 79 THR HB . 36085 1 929 . 1 1 79 79 THR HG21 H 1 1.364 0.01 . . . . . . X 79 THR HG21 . 36085 1 930 . 1 1 79 79 THR HG22 H 1 1.364 0.01 . . . . . . X 79 THR HG22 . 36085 1 931 . 1 1 79 79 THR HG23 H 1 1.364 0.01 . . . . . . X 79 THR HG23 . 36085 1 932 . 1 1 79 79 THR C C 13 176.6100 0.05 . . . . . . X 79 THR C . 36085 1 933 . 1 1 79 79 THR CA C 13 67.3100 0.05 . . . . . . X 79 THR CA . 36085 1 934 . 1 1 79 79 THR CB C 13 69.4100 0.05 . . . . . . X 79 THR CB . 36085 1 935 . 1 1 79 79 THR CG2 C 13 22.71 0.05 . . . . . . X 79 THR CG2 . 36085 1 936 . 1 1 79 79 THR N N 15 114.1150 0.05 . . . . . . X 79 THR N . 36085 1 937 . 1 1 80 80 ILE H H 1 7.3166 0.01 . . . . . . X 80 ILE H . 36085 1 938 . 1 1 80 80 ILE HA H 1 3.6175 0.01 . . . . . . X 80 ILE HA . 36085 1 939 . 1 1 80 80 ILE HB H 1 2.2724 0.01 . . . . . . X 80 ILE HB . 36085 1 940 . 1 1 80 80 ILE HG12 H 1 0.916 0.01 . . . . . . X 80 ILE HG12 . 36085 1 941 . 1 1 80 80 ILE HG13 H 1 1.892 0.01 . . . . . . X 80 ILE HG13 . 36085 1 942 . 1 1 80 80 ILE HG21 H 1 0.638 0.01 . . . . . . X 80 ILE HG21 . 36085 1 943 . 1 1 80 80 ILE HG22 H 1 0.638 0.01 . . . . . . X 80 ILE HG22 . 36085 1 944 . 1 1 80 80 ILE HG23 H 1 0.638 0.01 . . . . . . X 80 ILE HG23 . 36085 1 945 . 1 1 80 80 ILE HD11 H 1 0.763 0.01 . . . . . . X 80 ILE HD11 . 36085 1 946 . 1 1 80 80 ILE HD12 H 1 0.763 0.01 . . . . . . X 80 ILE HD12 . 36085 1 947 . 1 1 80 80 ILE HD13 H 1 0.763 0.01 . . . . . . X 80 ILE HD13 . 36085 1 948 . 1 1 80 80 ILE C C 13 178.0800 0.05 . . . . . . X 80 ILE C . 36085 1 949 . 1 1 80 80 ILE CA C 13 66.4360 0.05 . . . . . . X 80 ILE CA . 36085 1 950 . 1 1 80 80 ILE CB C 13 38.4160 0.05 . . . . . . X 80 ILE CB . 36085 1 951 . 1 1 80 80 ILE CG1 C 13 29.77 0.05 . . . . . . X 80 ILE CG1 . 36085 1 952 . 1 1 80 80 ILE CG2 C 13 17.87 0.05 . . . . . . X 80 ILE CG2 . 36085 1 953 . 1 1 80 80 ILE CD1 C 13 14.52 0.05 . . . . . . X 80 ILE CD1 . 36085 1 954 . 1 1 80 80 ILE N N 15 122.5560 0.05 . . . . . . X 80 ILE N . 36085 1 955 . 1 1 81 81 THR H H 1 7.7824 0.01 . . . . . . X 81 THR H . 36085 1 956 . 1 1 81 81 THR HA H 1 3.9780 0.01 . . . . . . X 81 THR HA . 36085 1 957 . 1 1 81 81 THR HB H 1 4.299 0.01 . . . . . . X 81 THR HB . 36085 1 958 . 1 1 81 81 THR HG21 H 1 1.366 0.01 . . . . . . X 81 THR HG21 . 36085 1 959 . 1 1 81 81 THR HG22 H 1 1.366 0.01 . . . . . . X 81 THR HG22 . 36085 1 960 . 1 1 81 81 THR HG23 H 1 1.366 0.01 . . . . . . X 81 THR HG23 . 36085 1 961 . 1 1 81 81 THR C C 13 176.0500 0.05 . . . . . . X 81 THR C . 36085 1 962 . 1 1 81 81 THR CA C 13 66.5800 0.05 . . . . . . X 81 THR CA . 36085 1 963 . 1 1 81 81 THR CB C 13 69.5400 0.05 . . . . . . X 81 THR CB . 36085 1 964 . 1 1 81 81 THR CG2 C 13 24.68 0.05 . . . . . . X 81 THR CG2 . 36085 1 965 . 1 1 81 81 THR N N 15 110.6110 0.05 . . . . . . X 81 THR N . 36085 1 966 . 1 1 82 82 LEU H H 1 7.4483 0.01 . . . . . . X 82 LEU H . 36085 1 967 . 1 1 82 82 LEU HA H 1 4.2518 0.01 . . . . . . X 82 LEU HA . 36085 1 968 . 1 1 82 82 LEU HB2 H 1 1.5872 0.01 . . . . . . X 82 LEU HB2 . 36085 1 969 . 1 1 82 82 LEU HB3 H 1 1.7885 0.01 . . . . . . X 82 LEU HB3 . 36085 1 970 . 1 1 82 82 LEU HG H 1 0.875 0.01 . . . . . . X 82 LEU HG . 36085 1 971 . 1 1 82 82 LEU HD11 H 1 0.883 0.01 . . . . . . X 82 LEU HD11 . 36085 1 972 . 1 1 82 82 LEU HD12 H 1 0.883 0.01 . . . . . . X 82 LEU HD12 . 36085 1 973 . 1 1 82 82 LEU HD13 H 1 0.883 0.01 . . . . . . X 82 LEU HD13 . 36085 1 974 . 1 1 82 82 LEU HD21 H 1 0.867 0.01 . . . . . . X 82 LEU HD21 . 36085 1 975 . 1 1 82 82 LEU HD22 H 1 0.867 0.01 . . . . . . X 82 LEU HD22 . 36085 1 976 . 1 1 82 82 LEU HD23 H 1 0.867 0.01 . . . . . . X 82 LEU HD23 . 36085 1 977 . 1 1 82 82 LEU C C 13 178.6800 0.05 . . . . . . X 82 LEU C . 36085 1 978 . 1 1 82 82 LEU CA C 13 57.2300 0.05 . . . . . . X 82 LEU CA . 36085 1 979 . 1 1 82 82 LEU CB C 13 42.5200 0.05 . . . . . . X 82 LEU CB . 36085 1 980 . 1 1 82 82 LEU CG C 13 26.28 0.05 . . . . . . X 82 LEU CG . 36085 1 981 . 1 1 82 82 LEU CD1 C 13 23.09 0.05 . . . . . . X 82 LEU CD1 . 36085 1 982 . 1 1 82 82 LEU N N 15 120.9150 0.05 . . . . . . X 82 LEU N . 36085 1 983 . 1 1 83 83 LYS H H 1 7.6384 0.01 . . . . . . X 83 LYS H . 36085 1 984 . 1 1 83 83 LYS HA H 1 4.1958 0.01 . . . . . . X 83 LYS HA . 36085 1 985 . 1 1 83 83 LYS HB2 H 1 1.8894 0.01 . . . . . . X 83 LYS HB2 . 36085 1 986 . 1 1 83 83 LYS HB3 H 1 1.8894 0.01 . . . . . . X 83 LYS HB3 . 36085 1 987 . 1 1 83 83 LYS HG2 H 1 1.427 0.01 . . . . . . X 83 LYS HG2 . 36085 1 988 . 1 1 83 83 LYS HG3 H 1 1.542 0.01 . . . . . . X 83 LYS HG3 . 36085 1 989 . 1 1 83 83 LYS HD2 H 1 1.578 0.01 . . . . . . X 83 LYS HD2 . 36085 1 990 . 1 1 83 83 LYS HD3 H 1 1.578 0.01 . . . . . . X 83 LYS HD3 . 36085 1 991 . 1 1 83 83 LYS HE2 H 1 2.921 0.01 . . . . . . X 83 LYS HE2 . 36085 1 992 . 1 1 83 83 LYS HE3 H 1 2.921 0.01 . . . . . . X 83 LYS HE3 . 36085 1 993 . 1 1 83 83 LYS C C 13 177.6100 0.05 . . . . . . X 83 LYS C . 36085 1 994 . 1 1 83 83 LYS CA C 13 58.2400 0.05 . . . . . . X 83 LYS CA . 36085 1 995 . 1 1 83 83 LYS CB C 13 32.7400 0.05 . . . . . . X 83 LYS CB . 36085 1 996 . 1 1 83 83 LYS CG C 13 25.84 0.05 . . . . . . X 83 LYS CG . 36085 1 997 . 1 1 83 83 LYS CD C 13 29.43 0.05 . . . . . . X 83 LYS CD . 36085 1 998 . 1 1 83 83 LYS CE C 13 42.94 0.05 . . . . . . X 83 LYS CE . 36085 1 999 . 1 1 83 83 LYS N N 15 119.0690 0.05 . . . . . . X 83 LYS N . 36085 1 1000 . 1 1 84 84 SER H H 1 7.8603 0.01 . . . . . . X 84 SER H . 36085 1 1001 . 1 1 84 84 SER HA H 1 4.3339 0.01 . . . . . . X 84 SER HA . 36085 1 1002 . 1 1 84 84 SER HB2 H 1 3.8999 0.01 . . . . . . X 84 SER HB2 . 36085 1 1003 . 1 1 84 84 SER HB3 H 1 3.8999 0.01 . . . . . . X 84 SER HB3 . 36085 1 1004 . 1 1 84 84 SER C C 13 174.7000 0.05 . . . . . . X 84 SER C . 36085 1 1005 . 1 1 84 84 SER CA C 13 60.5600 0.05 . . . . . . X 84 SER CA . 36085 1 1006 . 1 1 84 84 SER CB C 13 64.7200 0.05 . . . . . . X 84 SER CB . 36085 1 1007 . 1 1 84 84 SER N N 15 115.2070 0.05 . . . . . . X 84 SER N . 36085 1 1008 . 1 1 85 85 GLU H H 1 8.1138 0.01 . . . . . . X 85 GLU H . 36085 1 1009 . 1 1 85 85 GLU HA H 1 4.3111 0.01 . . . . . . X 85 GLU HA . 36085 1 1010 . 1 1 85 85 GLU HB2 H 1 1.932 0.01 . . . . . . X 85 GLU HB2 . 36085 1 1011 . 1 1 85 85 GLU HB3 H 1 2.102 0.01 . . . . . . X 85 GLU HB3 . 36085 1 1012 . 1 1 85 85 GLU HG2 H 1 2.220 0.01 . . . . . . X 85 GLU HG2 . 36085 1 1013 . 1 1 85 85 GLU HG3 H 1 2.277 0.01 . . . . . . X 85 GLU HG3 . 36085 1 1014 . 1 1 85 85 GLU C C 13 176.3700 0.05 . . . . . . X 85 GLU C . 36085 1 1015 . 1 1 85 85 GLU CA C 13 57.5100 0.05 . . . . . . X 85 GLU CA . 36085 1 1016 . 1 1 85 85 GLU CB C 13 30.7200 0.05 . . . . . . X 85 GLU CB . 36085 1 1017 . 1 1 85 85 GLU CG C 13 37.05 0.05 . . . . . . X 85 GLU CG . 36085 1 1018 . 1 1 85 85 GLU N N 15 120.6110 0.05 . . . . . . X 85 GLU N . 36085 1 1019 . 1 1 86 86 LEU H H 1 7.9023 0.01 . . . . . . X 86 LEU H . 36085 1 1020 . 1 1 86 86 LEU HA H 1 4.3437 0.01 . . . . . . X 86 LEU HA . 36085 1 1021 . 1 1 86 86 LEU HB2 H 1 1.595 0.01 . . . . . . X 86 LEU HB2 . 36085 1 1022 . 1 1 86 86 LEU HB3 H 1 1.621 0.01 . . . . . . X 86 LEU HB3 . 36085 1 1023 . 1 1 86 86 LEU HG H 1 1.599 0.01 . . . . . . X 86 LEU HG . 36085 1 1024 . 1 1 86 86 LEU HD11 H 1 0.880 0.01 . . . . . . X 86 LEU HD11 . 36085 1 1025 . 1 1 86 86 LEU HD12 H 1 0.880 0.01 . . . . . . X 86 LEU HD12 . 36085 1 1026 . 1 1 86 86 LEU HD13 H 1 0.880 0.01 . . . . . . X 86 LEU HD13 . 36085 1 1027 . 1 1 86 86 LEU HD21 H 1 0.819 0.01 . . . . . . X 86 LEU HD21 . 36085 1 1028 . 1 1 86 86 LEU HD22 H 1 0.819 0.01 . . . . . . X 86 LEU HD22 . 36085 1 1029 . 1 1 86 86 LEU HD23 H 1 0.819 0.01 . . . . . . X 86 LEU HD23 . 36085 1 1030 . 1 1 86 86 LEU C C 13 176.2700 0.05 . . . . . . X 86 LEU C . 36085 1 1031 . 1 1 86 86 LEU CA C 13 55.8100 0.05 . . . . . . X 86 LEU CA . 36085 1 1032 . 1 1 86 86 LEU CB C 13 43.0600 0.05 . . . . . . X 86 LEU CB . 36085 1 1033 . 1 1 86 86 LEU CG C 13 27.235 0.05 . . . . . . X 86 LEU CG . 36085 1 1034 . 1 1 86 86 LEU CD1 C 13 24.315 0.05 . . . . . . X 86 LEU CD1 . 36085 1 1035 . 1 1 86 86 LEU N N 15 121.6370 0.05 . . . . . . X 86 LEU N . 36085 1 1036 . 1 1 87 87 ASN H H 1 7.8617 0.01 . . . . . . X 87 ASN H . 36085 1 1037 . 1 1 87 87 ASN HA H 1 4.4281 0.01 . . . . . . X 87 ASN HA . 36085 1 1038 . 1 1 87 87 ASN HB2 H 1 2.604 0.01 . . . . . . X 87 ASN HB2 . 36085 1 1039 . 1 1 87 87 ASN HB3 H 1 2.604 0.01 . . . . . . X 87 ASN HB3 . 36085 1 1040 . 1 1 87 87 ASN HD21 H 1 7.4499 0.01 . . . . . . X 87 ASN HD21 . 36085 1 1041 . 1 1 87 87 ASN HD22 H 1 6.8208 0.01 . . . . . . X 87 ASN HD22 . 36085 1 1042 . 1 1 87 87 ASN C C 13 179.4300 0.05 . . . . . . X 87 ASN C . 36085 1 1043 . 1 1 87 87 ASN CA C 13 55.6400 0.05 . . . . . . X 87 ASN CA . 36085 1 1044 . 1 1 87 87 ASN CB C 13 41.4500 0.05 . . . . . . X 87 ASN CB . 36085 1 1045 . 1 1 87 87 ASN N N 15 124.2510 0.05 . . . . . . X 87 ASN N . 36085 1 1046 . 1 1 87 87 ASN ND2 N 15 113.008 0.05 . . . . . . X 87 ASN ND2 . 36085 1 stop_ save_