################################### # 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 17132 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 17132 1 2 '3D CBCA(CO)NH' . . . 17132 1 3 '3D HBHA(CO)NH' . . . 17132 1 4 '3D HNCA' . . . 17132 1 5 '3D HCCH-TOCSY' . . . 17132 1 6 '3D CCH-TOCSY' . . . 17132 1 7 '3D 1H-15N NOESY' . . . 17132 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 4 $FMCGUI . . 17132 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 SER HA H 1 4.410 0.04 . 1 . . . . . 11 SER HA . 17132 1 2 . 1 1 1 1 SER HB2 H 1 3.842 0.04 . 2 . . . . . 11 SER HB2 . 17132 1 3 . 1 1 1 1 SER HB3 H 1 3.801 0.04 . 2 . . . . . 11 SER HB3 . 17132 1 4 . 1 1 1 1 SER C C 13 174.520 0.4 . 1 . . . . . 11 SER C . 17132 1 5 . 1 1 1 1 SER CA C 13 58.430 0.40 . 1 . . . . . 11 SER CA . 17132 1 6 . 1 1 1 1 SER CB C 13 63.740 0.40 . 1 . . . . . 11 SER CB . 17132 1 7 . 1 1 2 2 ALA H H 1 8.470 0.04 . 1 . . . . . 12 ALA H . 17132 1 8 . 1 1 2 2 ALA HA H 1 4.226 0.04 . 1 . . . . . 12 ALA HA . 17132 1 9 . 1 1 2 2 ALA HB1 H 1 1.337 0.04 . 1 . . . . . 12 ALA HB . 17132 1 10 . 1 1 2 2 ALA HB2 H 1 1.337 0.04 . 1 . . . . . 12 ALA HB . 17132 1 11 . 1 1 2 2 ALA HB3 H 1 1.337 0.04 . 1 . . . . . 12 ALA HB . 17132 1 12 . 1 1 2 2 ALA C C 13 178.058 0.4 . 1 . . . . . 12 ALA C . 17132 1 13 . 1 1 2 2 ALA CA C 13 52.810 0.40 . 1 . . . . . 12 ALA CA . 17132 1 14 . 1 1 2 2 ALA CB C 13 18.840 0.40 . 1 . . . . . 12 ALA CB . 17132 1 15 . 1 1 2 2 ALA N N 15 125.747 0.40 . 1 . . . . . 12 ALA N . 17132 1 16 . 1 1 3 3 GLU H H 1 8.303 0.04 . 1 . . . . . 13 GLU H . 17132 1 17 . 1 1 3 3 GLU HA H 1 4.124 0.04 . 1 . . . . . 13 GLU HA . 17132 1 18 . 1 1 3 3 GLU HB2 H 1 1.827 0.04 . 2 . . . . . 13 GLU HB2 . 17132 1 19 . 1 1 3 3 GLU HB3 H 1 1.827 0.04 . 2 . . . . . 13 GLU HB3 . 17132 1 20 . 1 1 3 3 GLU HG2 H 1 2.176 0.04 . 2 . . . . . 13 GLU HG2 . 17132 1 21 . 1 1 3 3 GLU HG3 H 1 2.176 0.04 . 2 . . . . . 13 GLU HG3 . 17132 1 22 . 1 1 3 3 GLU C C 13 176.856 0.4 . 1 . . . . . 13 GLU C . 17132 1 23 . 1 1 3 3 GLU CA C 13 57.000 0.40 . 1 . . . . . 13 GLU CA . 17132 1 24 . 1 1 3 3 GLU CB C 13 29.540 0.40 . 1 . . . . . 13 GLU CB . 17132 1 25 . 1 1 3 3 GLU CG C 13 36.320 0.40 . 1 . . . . . 13 GLU CG . 17132 1 26 . 1 1 3 3 GLU N N 15 119.370 0.40 . 1 . . . . . 13 GLU N . 17132 1 27 . 1 1 4 4 CYS H H 1 8.112 0.04 . 1 . . . . . 14 CYS H . 17132 1 28 . 1 1 4 4 CYS HA H 1 4.352 0.04 . 1 . . . . . 14 CYS HA . 17132 1 29 . 1 1 4 4 CYS HB2 H 1 2.810 0.04 . 2 . . . . . 14 CYS HB2 . 17132 1 30 . 1 1 4 4 CYS HB3 H 1 2.810 0.04 . 2 . . . . . 14 CYS HB3 . 17132 1 31 . 1 1 4 4 CYS C C 13 174.785 0.4 . 1 . . . . . 14 CYS C . 17132 1 32 . 1 1 4 4 CYS CA C 13 58.730 0.40 . 1 . . . . . 14 CYS CA . 17132 1 33 . 1 1 4 4 CYS CB C 13 27.510 0.40 . 1 . . . . . 14 CYS CB . 17132 1 34 . 1 1 4 4 CYS N N 15 119.552 0.40 . 1 . . . . . 14 CYS N . 17132 1 35 . 1 1 5 5 TRP H H 1 8.024 0.04 . 1 . . . . . 15 TRP H . 17132 1 36 . 1 1 5 5 TRP HA H 1 4.553 0.04 . 1 . . . . . 15 TRP HA . 17132 1 37 . 1 1 5 5 TRP HB2 H 1 3.273 0.04 . 2 . . . . . 15 TRP HB2 . 17132 1 38 . 1 1 5 5 TRP HB3 H 1 3.226 0.04 . 2 . . . . . 15 TRP HB3 . 17132 1 39 . 1 1 5 5 TRP HD1 H 1 7.225 0.04 . 1 . . . . . 15 TRP HD1 . 17132 1 40 . 1 1 5 5 TRP HE1 H 1 10.110 0.04 . 1 . . . . . 15 TRP HE1 . 17132 1 41 . 1 1 5 5 TRP HE3 H 1 7.523 0.04 . 1 . . . . . 15 TRP HE3 . 17132 1 42 . 1 1 5 5 TRP HH2 H 1 7.158 0.04 . 1 . . . . . 15 TRP HH2 . 17132 1 43 . 1 1 5 5 TRP HZ2 H 1 7.412 0.04 . 2 . . . . . 15 TRP HZ2 . 17132 1 44 . 1 1 5 5 TRP HZ3 H 1 7.070 0.04 . 2 . . . . . 15 TRP HZ3 . 17132 1 45 . 1 1 5 5 TRP C C 13 176.453 0.4 . 1 . . . . . 15 TRP C . 17132 1 46 . 1 1 5 5 TRP CA C 13 57.760 0.40 . 1 . . . . . 15 TRP CA . 17132 1 47 . 1 1 5 5 TRP CB C 13 29.170 0.40 . 1 . . . . . 15 TRP CB . 17132 1 48 . 1 1 5 5 TRP CD1 C 13 127.164 0.40 . 1 . . . . . 15 TRP CD1 . 17132 1 49 . 1 1 5 5 TRP CE3 C 13 120.154 0.40 . 1 . . . . . 15 TRP CE3 . 17132 1 50 . 1 1 5 5 TRP CH2 C 13 124.245 0.40 . 1 . . . . . 15 TRP CH2 . 17132 1 51 . 1 1 5 5 TRP CZ2 C 13 114.397 0.40 . 1 . . . . . 15 TRP CZ2 . 17132 1 52 . 1 1 5 5 TRP CZ3 C 13 121.594 0.40 . 1 . . . . . 15 TRP CZ3 . 17132 1 53 . 1 1 5 5 TRP N N 15 123.030 0.40 . 1 . . . . . 15 TRP N . 17132 1 54 . 1 1 5 5 TRP NE1 N 15 129.428 0.04 . 1 . . . . . 15 TRP NE1 . 17132 1 55 . 1 1 6 6 ALA H H 1 7.897 0.04 . 1 . . . . . 16 ALA H . 17132 1 56 . 1 1 6 6 ALA HA H 1 4.065 0.04 . 1 . . . . . 16 ALA HA . 17132 1 57 . 1 1 6 6 ALA HB1 H 1 1.214 0.04 . 1 . . . . . 16 ALA HB . 17132 1 58 . 1 1 6 6 ALA HB2 H 1 1.214 0.04 . 1 . . . . . 16 ALA HB . 17132 1 59 . 1 1 6 6 ALA HB3 H 1 1.214 0.04 . 1 . . . . . 16 ALA HB . 17132 1 60 . 1 1 6 6 ALA C C 13 177.620 0.4 . 1 . . . . . 16 ALA C . 17132 1 61 . 1 1 6 6 ALA CA C 13 53.060 0.40 . 1 . . . . . 16 ALA CA . 17132 1 62 . 1 1 6 6 ALA CB C 13 19.020 0.40 . 1 . . . . . 16 ALA CB . 17132 1 63 . 1 1 6 6 ALA N N 15 124.340 0.40 . 1 . . . . . 16 ALA N . 17132 1 64 . 1 1 7 7 ALA H H 1 7.809 0.04 . 1 . . . . . 17 ALA H . 17132 1 65 . 1 1 7 7 ALA HA H 1 4.114 0.04 . 1 . . . . . 17 ALA HA . 17132 1 66 . 1 1 7 7 ALA HB1 H 1 1.317 0.04 . 1 . . . . . 17 ALA HB . 17132 1 67 . 1 1 7 7 ALA HB2 H 1 1.317 0.04 . 1 . . . . . 17 ALA HB . 17132 1 68 . 1 1 7 7 ALA HB3 H 1 1.317 0.04 . 1 . . . . . 17 ALA HB . 17132 1 69 . 1 1 7 7 ALA C C 13 177.895 0.4 . 1 . . . . . 17 ALA C . 17132 1 70 . 1 1 7 7 ALA CA C 13 52.700 0.40 . 1 . . . . . 17 ALA CA . 17132 1 71 . 1 1 7 7 ALA CB C 13 18.990 0.40 . 1 . . . . . 17 ALA CB . 17132 1 72 . 1 1 7 7 ALA N N 15 121.376 0.40 . 1 . . . . . 17 ALA N . 17132 1 73 . 1 1 8 8 LEU H H 1 7.822 0.04 . 1 . . . . . 18 LEU H . 17132 1 74 . 1 1 8 8 LEU HA H 1 4.208 0.04 . 1 . . . . . 18 LEU HA . 17132 1 75 . 1 1 8 8 LEU HB2 H 1 1.590 0.04 . 2 . . . . . 18 LEU HB2 . 17132 1 76 . 1 1 8 8 LEU HB3 H 1 1.478 0.04 . 2 . . . . . 18 LEU HB3 . 17132 1 77 . 1 1 8 8 LEU HD11 H 1 0.839 0.04 . 1 . . . . . 18 LEU HD1 . 17132 1 78 . 1 1 8 8 LEU HD12 H 1 0.839 0.04 . 1 . . . . . 18 LEU HD1 . 17132 1 79 . 1 1 8 8 LEU HD13 H 1 0.839 0.04 . 1 . . . . . 18 LEU HD1 . 17132 1 80 . 1 1 8 8 LEU HD21 H 1 0.798 0.04 . 1 . . . . . 18 LEU HD2 . 17132 1 81 . 1 1 8 8 LEU HD22 H 1 0.798 0.04 . 1 . . . . . 18 LEU HD2 . 17132 1 82 . 1 1 8 8 LEU HD23 H 1 0.798 0.04 . 1 . . . . . 18 LEU HD2 . 17132 1 83 . 1 1 8 8 LEU HG H 1 1.482 0.04 . 1 . . . . . 18 LEU HG . 17132 1 84 . 1 1 8 8 LEU C C 13 177.252 0.4 . 1 . . . . . 18 LEU C . 17132 1 85 . 1 1 8 8 LEU CA C 13 55.160 0.40 . 1 . . . . . 18 LEU CA . 17132 1 86 . 1 1 8 8 LEU CB C 13 42.110 0.40 . 1 . . . . . 18 LEU CB . 17132 1 87 . 1 1 8 8 LEU CD1 C 13 24.930 0.40 . 1 . . . . . 18 LEU CD1 . 17132 1 88 . 1 1 8 8 LEU CD2 C 13 23.340 0.40 . 1 . . . . . 18 LEU CD2 . 17132 1 89 . 1 1 8 8 LEU CG C 13 26.840 0.40 . 1 . . . . . 18 LEU CG . 17132 1 90 . 1 1 8 8 LEU N N 15 119.633 0.40 . 1 . . . . . 18 LEU N . 17132 1 91 . 1 1 9 9 LEU H H 1 7.860 0.04 . 1 . . . . . 19 LEU H . 17132 1 92 . 1 1 9 9 LEU HA H 1 4.202 0.04 . 1 . . . . . 19 LEU HA . 17132 1 93 . 1 1 9 9 LEU HB2 H 1 1.533 0.04 . 2 . . . . . 19 LEU HB2 . 17132 1 94 . 1 1 9 9 LEU HB3 H 1 1.422 0.04 . 2 . . . . . 19 LEU HB3 . 17132 1 95 . 1 1 9 9 LEU HD11 H 1 0.839 0.04 . 1 . . . . . 19 LEU HD1 . 17132 1 96 . 1 1 9 9 LEU HD12 H 1 0.839 0.04 . 1 . . . . . 19 LEU HD1 . 17132 1 97 . 1 1 9 9 LEU HD13 H 1 0.839 0.04 . 1 . . . . . 19 LEU HD1 . 17132 1 98 . 1 1 9 9 LEU HD21 H 1 0.766 0.04 . 1 . . . . . 19 LEU HD2 . 17132 1 99 . 1 1 9 9 LEU HD22 H 1 0.766 0.04 . 1 . . . . . 19 LEU HD2 . 17132 1 100 . 1 1 9 9 LEU HD23 H 1 0.766 0.04 . 1 . . . . . 19 LEU HD2 . 17132 1 101 . 1 1 9 9 LEU HG H 1 1.569 0.04 . 1 . . . . . 19 LEU HG . 17132 1 102 . 1 1 9 9 LEU C C 13 176.863 0.4 . 1 . . . . . 19 LEU C . 17132 1 103 . 1 1 9 9 LEU CA C 13 55.340 0.40 . 1 . . . . . 19 LEU CA . 17132 1 104 . 1 1 9 9 LEU CB C 13 41.970 0.40 . 1 . . . . . 19 LEU CB . 17132 1 105 . 1 1 9 9 LEU CD1 C 13 25.110 0.40 . 1 . . . . . 19 LEU CD1 . 17132 1 106 . 1 1 9 9 LEU CD2 C 13 23.340 0.40 . 1 . . . . . 19 LEU CD2 . 17132 1 107 . 1 1 9 9 LEU CG C 13 26.790 0.40 . 1 . . . . . 19 LEU CG . 17132 1 108 . 1 1 9 9 LEU N N 15 121.232 0.40 . 1 . . . . . 19 LEU N . 17132 1 109 . 1 1 10 10 HIS H H 1 8.076 0.04 . 1 . . . . . 20 HIS H . 17132 1 110 . 1 1 10 10 HIS HA H 1 4.562 0.04 . 1 . . . . . 20 HIS HA . 17132 1 111 . 1 1 10 10 HIS HB2 H 1 3.103 0.04 . 2 . . . . . 20 HIS HB2 . 17132 1 112 . 1 1 10 10 HIS HB3 H 1 3.010 0.04 . 2 . . . . . 20 HIS HB3 . 17132 1 113 . 1 1 10 10 HIS HD2 H 1 7.049 0.04 . 2 . . . . . 20 HIS HD2 . 17132 1 114 . 1 1 10 10 HIS C C 13 174.071 0.4 . 1 . . . . . 20 HIS C . 17132 1 115 . 1 1 10 10 HIS CA C 13 55.410 0.40 . 1 . . . . . 20 HIS CA . 17132 1 116 . 1 1 10 10 HIS CB C 13 30.220 0.40 . 1 . . . . . 20 HIS CB . 17132 1 117 . 1 1 10 10 HIS CD2 C 13 120.014 0.40 . 1 . . . . . 20 HIS CD2 . 17132 1 118 . 1 1 10 10 HIS N N 15 118.562 0.40 . 1 . . . . . 20 HIS N . 17132 1 119 . 1 1 11 11 ASP H H 1 8.259 0.04 . 1 . . . . . 21 ASP H . 17132 1 120 . 1 1 11 11 ASP HA H 1 4.790 0.04 . 1 . . . . . 21 ASP HA . 17132 1 121 . 1 1 11 11 ASP HB2 H 1 2.719 0.04 . 2 . . . . . 21 ASP HB2 . 17132 1 122 . 1 1 11 11 ASP HB3 H 1 2.463 0.04 . 2 . . . . . 21 ASP HB3 . 17132 1 123 . 1 1 11 11 ASP CA C 13 51.920 0.40 . 1 . . . . . 21 ASP CA . 17132 1 124 . 1 1 11 11 ASP CB C 13 41.240 0.40 . 1 . . . . . 21 ASP CB . 17132 1 125 . 1 1 11 11 ASP N N 15 123.062 0.40 . 1 . . . . . 21 ASP N . 17132 1 126 . 1 1 12 12 PRO HA H 1 4.327 0.04 . 1 . . . . . 22 PRO HA . 17132 1 127 . 1 1 12 12 PRO HB2 H 1 2.245 0.04 . 2 . . . . . 22 PRO HB2 . 17132 1 128 . 1 1 12 12 PRO HB3 H 1 1.880 0.04 . 2 . . . . . 22 PRO HB3 . 17132 1 129 . 1 1 12 12 PRO HD2 H 1 3.745 0.04 . 2 . . . . . 22 PRO HD2 . 17132 1 130 . 1 1 12 12 PRO HD3 H 1 3.745 0.04 . 2 . . . . . 22 PRO HD3 . 17132 1 131 . 1 1 12 12 PRO HG2 H 1 1.958 0.04 . 2 . . . . . 22 PRO HG2 . 17132 1 132 . 1 1 12 12 PRO HG3 H 1 1.958 0.04 . 2 . . . . . 22 PRO HG3 . 17132 1 133 . 1 1 12 12 PRO C C 13 177.167 0.4 . 1 . . . . . 22 PRO C . 17132 1 134 . 1 1 12 12 PRO CA C 13 63.760 0.40 . 1 . . . . . 22 PRO CA . 17132 1 135 . 1 1 12 12 PRO CB C 13 32.210 0.40 . 1 . . . . . 22 PRO CB . 17132 1 136 . 1 1 12 12 PRO CD C 13 50.480 0.40 . 1 . . . . . 22 PRO CD . 17132 1 137 . 1 1 12 12 PRO CG C 13 27.240 0.40 . 1 . . . . . 22 PRO CG . 17132 1 138 . 1 1 13 13 MET H H 1 8.408 0.04 . 1 . . . . . 23 MET H . 17132 1 139 . 1 1 13 13 MET HA H 1 4.392 0.04 . 1 . . . . . 23 MET HA . 17132 1 140 . 1 1 13 13 MET HB2 H 1 2.027 0.04 . 2 . . . . . 23 MET HB2 . 17132 1 141 . 1 1 13 13 MET HB3 H 1 2.027 0.04 . 2 . . . . . 23 MET HB3 . 17132 1 142 . 1 1 13 13 MET HE1 H 1 2.031 0.04 . 1 . . . . . 23 MET HE . 17132 1 143 . 1 1 13 13 MET HE2 H 1 2.031 0.04 . 1 . . . . . 23 MET HE . 17132 1 144 . 1 1 13 13 MET HE3 H 1 2.031 0.04 . 1 . . . . . 23 MET HE . 17132 1 145 . 1 1 13 13 MET HG2 H 1 2.582 0.04 . 2 . . . . . 23 MET HG2 . 17132 1 146 . 1 1 13 13 MET HG3 H 1 2.456 0.04 . 2 . . . . . 23 MET HG3 . 17132 1 147 . 1 1 13 13 MET C C 13 176.800 0.4 . 1 . . . . . 23 MET C . 17132 1 148 . 1 1 13 13 MET CA C 13 55.740 0.40 . 1 . . . . . 23 MET CA . 17132 1 149 . 1 1 13 13 MET CB C 13 32.500 0.40 . 1 . . . . . 23 MET CB . 17132 1 150 . 1 1 13 13 MET CE C 13 16.990 0.40 . 1 . . . . . 23 MET CE . 17132 1 151 . 1 1 13 13 MET CG C 13 32.210 0.40 . 1 . . . . . 23 MET CG . 17132 1 152 . 1 1 13 13 MET N N 15 118.614 0.40 . 1 . . . . . 23 MET N . 17132 1 153 . 1 1 14 14 THR H H 1 7.856 0.04 . 1 . . . . . 24 THR H . 17132 1 154 . 1 1 14 14 THR HA H 1 4.241 0.04 . 1 . . . . . 24 THR HA . 17132 1 155 . 1 1 14 14 THR HB H 1 4.219 0.04 . 1 . . . . . 24 THR HB . 17132 1 156 . 1 1 14 14 THR HG21 H 1 1.114 0.04 . 1 . . . . . 24 THR HG2 . 17132 1 157 . 1 1 14 14 THR HG22 H 1 1.114 0.04 . 1 . . . . . 24 THR HG2 . 17132 1 158 . 1 1 14 14 THR HG23 H 1 1.114 0.04 . 1 . . . . . 24 THR HG2 . 17132 1 159 . 1 1 14 14 THR C C 13 174.205 0.4 . 1 . . . . . 24 THR C . 17132 1 160 . 1 1 14 14 THR CA C 13 61.710 0.40 . 1 . . . . . 24 THR CA . 17132 1 161 . 1 1 14 14 THR CB C 13 69.720 0.40 . 1 . . . . . 24 THR CB . 17132 1 162 . 1 1 14 14 THR CG2 C 13 21.650 0.40 . 1 . . . . . 24 THR CG2 . 17132 1 163 . 1 1 14 14 THR N N 15 114.315 0.40 . 1 . . . . . 24 THR N . 17132 1 164 . 1 1 15 15 LEU H H 1 7.944 0.04 . 1 . . . . . 25 LEU H . 17132 1 165 . 1 1 15 15 LEU HA H 1 4.170 0.04 . 1 . . . . . 25 LEU HA . 17132 1 166 . 1 1 15 15 LEU HB2 H 1 1.481 0.04 . 2 . . . . . 25 LEU HB2 . 17132 1 167 . 1 1 15 15 LEU HB3 H 1 1.481 0.04 . 2 . . . . . 25 LEU HB3 . 17132 1 168 . 1 1 15 15 LEU HD11 H 1 0.825 0.04 . 1 . . . . . 25 LEU HD1 . 17132 1 169 . 1 1 15 15 LEU HD12 H 1 0.825 0.04 . 1 . . . . . 25 LEU HD1 . 17132 1 170 . 1 1 15 15 LEU HD13 H 1 0.825 0.04 . 1 . . . . . 25 LEU HD1 . 17132 1 171 . 1 1 15 15 LEU HD21 H 1 0.677 0.04 . 1 . . . . . 25 LEU HD2 . 17132 1 172 . 1 1 15 15 LEU HD22 H 1 0.677 0.04 . 1 . . . . . 25 LEU HD2 . 17132 1 173 . 1 1 15 15 LEU HD23 H 1 0.677 0.04 . 1 . . . . . 25 LEU HD2 . 17132 1 174 . 1 1 15 15 LEU HG H 1 1.363 0.04 . 1 . . . . . 25 LEU HG . 17132 1 175 . 1 1 15 15 LEU C C 13 176.277 0.4 . 1 . . . . . 25 LEU C . 17132 1 176 . 1 1 15 15 LEU CA C 13 55.630 0.40 . 1 . . . . . 25 LEU CA . 17132 1 177 . 1 1 15 15 LEU CB C 13 42.760 0.40 . 1 . . . . . 25 LEU CB . 17132 1 178 . 1 1 15 15 LEU CD1 C 13 24.440 0.40 . 1 . . . . . 25 LEU CD1 . 17132 1 179 . 1 1 15 15 LEU CD2 C 13 24.440 0.40 . 1 . . . . . 25 LEU CD2 . 17132 1 180 . 1 1 15 15 LEU CG C 13 26.970 0.40 . 1 . . . . . 25 LEU CG . 17132 1 181 . 1 1 15 15 LEU N N 15 124.340 0.40 . 1 . . . . . 25 LEU N . 17132 1 182 . 1 1 16 16 ASP H H 1 8.350 0.04 . 1 . . . . . 26 ASP H . 17132 1 183 . 1 1 16 16 ASP HA H 1 4.563 0.04 . 1 . . . . . 26 ASP HA . 17132 1 184 . 1 1 16 16 ASP HB2 H 1 2.848 0.04 . 2 . . . . . 26 ASP HB2 . 17132 1 185 . 1 1 16 16 ASP HB3 H 1 2.435 0.04 . 2 . . . . . 26 ASP HB3 . 17132 1 186 . 1 1 16 16 ASP C C 13 176.326 0.4 . 1 . . . . . 26 ASP C . 17132 1 187 . 1 1 16 16 ASP CA C 13 53.350 0.40 . 1 . . . . . 26 ASP CA . 17132 1 188 . 1 1 16 16 ASP CB C 13 40.300 0.40 . 1 . . . . . 26 ASP CB . 17132 1 189 . 1 1 16 16 ASP N N 15 123.596 0.40 . 1 . . . . . 26 ASP N . 17132 1 190 . 1 1 17 17 MET H H 1 8.035 0.04 . 1 . . . . . 27 MET H . 17132 1 191 . 1 1 17 17 MET HA H 1 3.421 0.04 . 1 . . . . . 27 MET HA . 17132 1 192 . 1 1 17 17 MET HB2 H 1 1.440 0.04 . 2 . . . . . 27 MET HB2 . 17132 1 193 . 1 1 17 17 MET HB3 H 1 1.100 0.04 . 2 . . . . . 27 MET HB3 . 17132 1 194 . 1 1 17 17 MET HE1 H 1 1.592 0.04 . 1 . . . . . 27 MET HE . 17132 1 195 . 1 1 17 17 MET HE2 H 1 1.592 0.04 . 1 . . . . . 27 MET HE . 17132 1 196 . 1 1 17 17 MET HE3 H 1 1.592 0.04 . 1 . . . . . 27 MET HE . 17132 1 197 . 1 1 17 17 MET HG2 H 1 1.723 0.04 . 2 . . . . . 27 MET HG2 . 17132 1 198 . 1 1 17 17 MET HG3 H 1 0.759 0.04 . 2 . . . . . 27 MET HG3 . 17132 1 199 . 1 1 17 17 MET C C 13 177.443 0.4 . 1 . . . . . 27 MET C . 17132 1 200 . 1 1 17 17 MET CA C 13 59.570 0.40 . 1 . . . . . 27 MET CA . 17132 1 201 . 1 1 17 17 MET CB C 13 32.640 0.40 . 1 . . . . . 27 MET CB . 17132 1 202 . 1 1 17 17 MET CE C 13 16.790 0.40 . 1 . . . . . 27 MET CE . 17132 1 203 . 1 1 17 17 MET CG C 13 32.350 0.40 . 1 . . . . . 27 MET CG . 17132 1 204 . 1 1 17 17 MET N N 15 122.573 0.40 . 1 . . . . . 27 MET N . 17132 1 205 . 1 1 18 18 ASP H H 1 7.957 0.04 . 1 . . . . . 28 ASP H . 17132 1 206 . 1 1 18 18 ASP HA H 1 4.310 0.04 . 1 . . . . . 28 ASP HA . 17132 1 207 . 1 1 18 18 ASP HB2 H 1 2.656 0.04 . 2 . . . . . 28 ASP HB2 . 17132 1 208 . 1 1 18 18 ASP HB3 H 1 2.586 0.04 . 2 . . . . . 28 ASP HB3 . 17132 1 209 . 1 1 18 18 ASP C C 13 178.744 0.4 . 1 . . . . . 28 ASP C . 17132 1 210 . 1 1 18 18 ASP CA C 13 57.580 0.40 . 1 . . . . . 28 ASP CA . 17132 1 211 . 1 1 18 18 ASP CB C 13 40.410 0.40 . 1 . . . . . 28 ASP CB . 17132 1 212 . 1 1 18 18 ASP N N 15 118.032 0.40 . 1 . . . . . 28 ASP N . 17132 1 213 . 1 1 19 19 ALA H H 1 7.694 0.04 . 1 . . . . . 29 ALA H . 17132 1 214 . 1 1 19 19 ALA HA H 1 4.097 0.04 . 1 . . . . . 29 ALA HA . 17132 1 215 . 1 1 19 19 ALA HB1 H 1 1.446 0.04 . 1 . . . . . 29 ALA HB . 17132 1 216 . 1 1 19 19 ALA HB2 H 1 1.446 0.04 . 1 . . . . . 29 ALA HB . 17132 1 217 . 1 1 19 19 ALA HB3 H 1 1.446 0.04 . 1 . . . . . 29 ALA HB . 17132 1 218 . 1 1 19 19 ALA C C 13 180.108 0.4 . 1 . . . . . 29 ALA C . 17132 1 219 . 1 1 19 19 ALA CA C 13 54.940 0.40 . 1 . . . . . 29 ALA CA . 17132 1 220 . 1 1 19 19 ALA CB C 13 18.340 0.40 . 1 . . . . . 29 ALA CB . 17132 1 221 . 1 1 19 19 ALA N N 15 124.000 0.40 . 1 . . . . . 29 ALA N . 17132 1 222 . 1 1 20 20 VAL H H 1 7.940 0.04 . 1 . . . . . 30 VAL H . 17132 1 223 . 1 1 20 20 VAL HA H 1 3.892 0.04 . 1 . . . . . 30 VAL HA . 17132 1 224 . 1 1 20 20 VAL HB H 1 2.357 0.04 . 1 . . . . . 30 VAL HB . 17132 1 225 . 1 1 20 20 VAL HG11 H 1 1.282 0.04 . 1 . . . . . 30 VAL HG1 . 17132 1 226 . 1 1 20 20 VAL HG12 H 1 1.282 0.04 . 1 . . . . . 30 VAL HG1 . 17132 1 227 . 1 1 20 20 VAL HG13 H 1 1.282 0.04 . 1 . . . . . 30 VAL HG1 . 17132 1 228 . 1 1 20 20 VAL HG21 H 1 1.249 0.04 . 1 . . . . . 30 VAL HG2 . 17132 1 229 . 1 1 20 20 VAL HG22 H 1 1.249 0.04 . 1 . . . . . 30 VAL HG2 . 17132 1 230 . 1 1 20 20 VAL HG23 H 1 1.249 0.04 . 1 . . . . . 30 VAL HG2 . 17132 1 231 . 1 1 20 20 VAL C C 13 178.235 0.4 . 1 . . . . . 30 VAL C . 17132 1 232 . 1 1 20 20 VAL CA C 13 66.580 0.40 . 1 . . . . . 30 VAL CA . 17132 1 233 . 1 1 20 20 VAL CB C 13 32.100 0.40 . 1 . . . . . 30 VAL CB . 17132 1 234 . 1 1 20 20 VAL CG1 C 13 23.560 0.40 . 1 . . . . . 30 VAL CG1 . 17132 1 235 . 1 1 20 20 VAL CG2 C 13 22.980 0.40 . 1 . . . . . 30 VAL CG2 . 17132 1 236 . 1 1 20 20 VAL N N 15 119.649 0.40 . 1 . . . . . 30 VAL N . 17132 1 237 . 1 1 21 21 LEU H H 1 8.486 0.04 . 1 . . . . . 31 LEU H . 17132 1 238 . 1 1 21 21 LEU HA H 1 3.952 0.04 . 1 . . . . . 31 LEU HA . 17132 1 239 . 1 1 21 21 LEU HB2 H 1 2.071 0.04 . 2 . . . . . 31 LEU HB2 . 17132 1 240 . 1 1 21 21 LEU HB3 H 1 1.751 0.04 . 2 . . . . . 31 LEU HB3 . 17132 1 241 . 1 1 21 21 LEU HD11 H 1 0.863 0.04 . 1 . . . . . 31 LEU HD1 . 17132 1 242 . 1 1 21 21 LEU HD12 H 1 0.863 0.04 . 1 . . . . . 31 LEU HD1 . 17132 1 243 . 1 1 21 21 LEU HD13 H 1 0.863 0.04 . 1 . . . . . 31 LEU HD1 . 17132 1 244 . 1 1 21 21 LEU HD21 H 1 0.927 0.04 . 1 . . . . . 31 LEU HD2 . 17132 1 245 . 1 1 21 21 LEU HD22 H 1 0.927 0.04 . 1 . . . . . 31 LEU HD2 . 17132 1 246 . 1 1 21 21 LEU HD23 H 1 0.927 0.04 . 1 . . . . . 31 LEU HD2 . 17132 1 247 . 1 1 21 21 LEU HG H 1 1.642 0.04 . 1 . . . . . 31 LEU HG . 17132 1 248 . 1 1 21 21 LEU C C 13 178.567 0.4 . 1 . . . . . 31 LEU C . 17132 1 249 . 1 1 21 21 LEU CA C 13 58.440 0.40 . 1 . . . . . 31 LEU CA . 17132 1 250 . 1 1 21 21 LEU CB C 13 41.970 0.40 . 1 . . . . . 31 LEU CB . 17132 1 251 . 1 1 21 21 LEU CD1 C 13 25.660 0.40 . 1 . . . . . 31 LEU CD1 . 17132 1 252 . 1 1 21 21 LEU CD2 C 13 26.240 0.40 . 1 . . . . . 31 LEU CD2 . 17132 1 253 . 1 1 21 21 LEU CG C 13 27.480 0.40 . 1 . . . . . 31 LEU CG . 17132 1 254 . 1 1 21 21 LEU N N 15 120.765 0.40 . 1 . . . . . 31 LEU N . 17132 1 255 . 1 1 22 22 SER H H 1 8.109 0.04 . 1 . . . . . 32 SER H . 17132 1 256 . 1 1 22 22 SER HA H 1 4.114 0.04 . 1 . . . . . 32 SER HA . 17132 1 257 . 1 1 22 22 SER HB2 H 1 4.010 0.04 . 2 . . . . . 32 SER HB2 . 17132 1 258 . 1 1 22 22 SER HB3 H 1 3.959 0.04 . 2 . . . . . 32 SER HB3 . 17132 1 259 . 1 1 22 22 SER C C 13 177.238 0.4 . 1 . . . . . 32 SER C . 17132 1 260 . 1 1 22 22 SER CA C 13 61.620 0.40 . 1 . . . . . 32 SER CA . 17132 1 261 . 1 1 22 22 SER CB C 13 62.490 0.40 . 1 . . . . . 32 SER CB . 17132 1 262 . 1 1 22 22 SER N N 15 113.114 0.40 . 1 . . . . . 32 SER N . 17132 1 263 . 1 1 23 23 ASP H H 1 8.221 0.04 . 1 . . . . . 33 ASP H . 17132 1 264 . 1 1 23 23 ASP HA H 1 4.422 0.04 . 1 . . . . . 33 ASP HA . 17132 1 265 . 1 1 23 23 ASP HB2 H 1 2.914 0.04 . 2 . . . . . 33 ASP HB2 . 17132 1 266 . 1 1 23 23 ASP HB3 H 1 2.700 0.04 . 2 . . . . . 33 ASP HB3 . 17132 1 267 . 1 1 23 23 ASP C C 13 178.822 0.4 . 1 . . . . . 33 ASP C . 17132 1 268 . 1 1 23 23 ASP CA C 13 57.510 0.40 . 1 . . . . . 33 ASP CA . 17132 1 269 . 1 1 23 23 ASP CB C 13 40.520 0.40 . 1 . . . . . 33 ASP CB . 17132 1 270 . 1 1 23 23 ASP N N 15 122.949 0.40 . 1 . . . . . 33 ASP N . 17132 1 271 . 1 1 24 24 PHE H H 1 8.688 0.04 . 1 . . . . . 34 PHE H . 17132 1 272 . 1 1 24 24 PHE HA H 1 3.827 0.04 . 1 . . . . . 34 PHE HA . 17132 1 273 . 1 1 24 24 PHE HB2 H 1 3.345 0.04 . 2 . . . . . 34 PHE HB2 . 17132 1 274 . 1 1 24 24 PHE HB3 H 1 2.946 0.04 . 2 . . . . . 34 PHE HB3 . 17132 1 275 . 1 1 24 24 PHE HD1 H 1 6.749 0.04 . 2 . . . . . 34 PHE HD1 . 17132 1 276 . 1 1 24 24 PHE HD2 H 1 6.749 0.04 . 2 . . . . . 34 PHE HD2 . 17132 1 277 . 1 1 24 24 PHE HE1 H 1 6.639 0.04 . 2 . . . . . 34 PHE HE1 . 17132 1 278 . 1 1 24 24 PHE HE2 H 1 6.639 0.04 . 2 . . . . . 34 PHE HE2 . 17132 1 279 . 1 1 24 24 PHE HZ H 1 6.821 0.04 . 1 . . . . . 34 PHE HZ . 17132 1 280 . 1 1 24 24 PHE C C 13 179.620 0.4 . 1 . . . . . 34 PHE C . 17132 1 281 . 1 1 24 24 PHE CA C 13 62.060 0.40 . 1 . . . . . 34 PHE CA . 17132 1 282 . 1 1 24 24 PHE CB C 13 40.090 0.40 . 1 . . . . . 34 PHE CB . 17132 1 283 . 1 1 24 24 PHE CD1 C 13 131.221 0.40 . 1 . . . . . 34 PHE CD1 . 17132 1 284 . 1 1 24 24 PHE CE1 C 13 130.973 0.40 . 1 . . . . . 34 PHE CE1 . 17132 1 285 . 1 1 24 24 PHE CZ C 13 129.373 0.40 . 1 . . . . . 34 PHE CZ . 17132 1 286 . 1 1 24 24 PHE N N 15 122.480 0.40 . 1 . . . . . 34 PHE N . 17132 1 287 . 1 1 25 25 VAL H H 1 8.970 0.04 . 1 . . . . . 35 VAL H . 17132 1 288 . 1 1 25 25 VAL HA H 1 3.367 0.04 . 1 . . . . . 35 VAL HA . 17132 1 289 . 1 1 25 25 VAL HB H 1 2.168 0.04 . 1 . . . . . 35 VAL HB . 17132 1 290 . 1 1 25 25 VAL HG11 H 1 0.944 0.04 . 1 . . . . . 35 VAL HG1 . 17132 1 291 . 1 1 25 25 VAL HG12 H 1 0.944 0.04 . 1 . . . . . 35 VAL HG1 . 17132 1 292 . 1 1 25 25 VAL HG13 H 1 0.944 0.04 . 1 . . . . . 35 VAL HG1 . 17132 1 293 . 1 1 25 25 VAL HG21 H 1 0.970 0.04 . 1 . . . . . 35 VAL HG2 . 17132 1 294 . 1 1 25 25 VAL HG22 H 1 0.970 0.04 . 1 . . . . . 35 VAL HG2 . 17132 1 295 . 1 1 25 25 VAL HG23 H 1 0.970 0.04 . 1 . . . . . 35 VAL HG2 . 17132 1 296 . 1 1 25 25 VAL C C 13 178.963 0.4 . 1 . . . . . 35 VAL C . 17132 1 297 . 1 1 25 25 VAL CA C 13 67.230 0.40 . 1 . . . . . 35 VAL CA . 17132 1 298 . 1 1 25 25 VAL CB C 13 32.070 0.40 . 1 . . . . . 35 VAL CB . 17132 1 299 . 1 1 25 25 VAL CG1 C 13 20.760 0.40 . 1 . . . . . 35 VAL CG1 . 17132 1 300 . 1 1 25 25 VAL CG2 C 13 22.360 0.40 . 1 . . . . . 35 VAL CG2 . 17132 1 301 . 1 1 25 25 VAL N N 15 122.411 0.40 . 1 . . . . . 35 VAL N . 17132 1 302 . 1 1 26 26 ARG H H 1 8.570 0.04 . 1 . . . . . 36 ARG H . 17132 1 303 . 1 1 26 26 ARG HA H 1 3.980 0.04 . 1 . . . . . 36 ARG HA . 17132 1 304 . 1 1 26 26 ARG HB2 H 1 1.969 0.04 . 2 . . . . . 36 ARG HB2 . 17132 1 305 . 1 1 26 26 ARG HB3 H 1 1.915 0.04 . 2 . . . . . 36 ARG HB3 . 17132 1 306 . 1 1 26 26 ARG HD2 H 1 3.186 0.04 . 2 . . . . . 36 ARG HD2 . 17132 1 307 . 1 1 26 26 ARG HD3 H 1 3.186 0.04 . 2 . . . . . 36 ARG HD3 . 17132 1 308 . 1 1 26 26 ARG HG2 H 1 1.712 0.04 . 2 . . . . . 36 ARG HG2 . 17132 1 309 . 1 1 26 26 ARG HG3 H 1 1.573 0.04 . 2 . . . . . 36 ARG HG3 . 17132 1 310 . 1 1 26 26 ARG C C 13 178.518 0.4 . 1 . . . . . 36 ARG C . 17132 1 311 . 1 1 26 26 ARG CA C 13 59.600 0.40 . 1 . . . . . 36 ARG CA . 17132 1 312 . 1 1 26 26 ARG CB C 13 30.040 0.40 . 1 . . . . . 36 ARG CB . 17132 1 313 . 1 1 26 26 ARG CD C 13 43.240 0.40 . 1 . . . . . 36 ARG CD . 17132 1 314 . 1 1 26 26 ARG CG C 13 27.640 0.40 . 1 . . . . . 36 ARG CG . 17132 1 315 . 1 1 26 26 ARG N N 15 121.979 0.40 . 1 . . . . . 36 ARG N . 17132 1 316 . 1 1 27 27 SER H H 1 7.713 0.04 . 1 . . . . . 37 SER H . 17132 1 317 . 1 1 27 27 SER HA H 1 4.212 0.04 . 1 . . . . . 37 SER HA . 17132 1 318 . 1 1 27 27 SER HB2 H 1 3.795 0.04 . 2 . . . . . 37 SER HB2 . 17132 1 319 . 1 1 27 27 SER HB3 H 1 3.742 0.04 . 2 . . . . . 37 SER HB3 . 17132 1 320 . 1 1 27 27 SER C C 13 175.223 0.4 . 1 . . . . . 37 SER C . 17132 1 321 . 1 1 27 27 SER CA C 13 61.120 0.40 . 1 . . . . . 37 SER CA . 17132 1 322 . 1 1 27 27 SER CB C 13 63.720 0.40 . 1 . . . . . 37 SER CB . 17132 1 323 . 1 1 27 27 SER N N 15 111.169 0.40 . 1 . . . . . 37 SER N . 17132 1 324 . 1 1 28 28 THR H H 1 7.346 0.04 . 1 . . . . . 38 THR H . 17132 1 325 . 1 1 28 28 THR HA H 1 4.205 0.04 . 1 . . . . . 38 THR HA . 17132 1 326 . 1 1 28 28 THR HB H 1 3.364 0.04 . 1 . . . . . 38 THR HB . 17132 1 327 . 1 1 28 28 THR HG21 H 1 0.185 0.04 . 1 . . . . . 38 THR HG2 . 17132 1 328 . 1 1 28 28 THR HG22 H 1 0.185 0.04 . 1 . . . . . 38 THR HG2 . 17132 1 329 . 1 1 28 28 THR HG23 H 1 0.185 0.04 . 1 . . . . . 38 THR HG2 . 17132 1 330 . 1 1 28 28 THR C C 13 176.234 0.4 . 1 . . . . . 38 THR C . 17132 1 331 . 1 1 28 28 THR CA C 13 62.670 0.40 . 1 . . . . . 38 THR CA . 17132 1 332 . 1 1 28 28 THR CB C 13 72.210 0.40 . 1 . . . . . 38 THR CB . 17132 1 333 . 1 1 28 28 THR CG2 C 13 20.980 0.40 . 1 . . . . . 38 THR CG2 . 17132 1 334 . 1 1 28 28 THR N N 15 106.644 0.40 . 1 . . . . . 38 THR N . 17132 1 335 . 1 1 29 29 GLY H H 1 8.715 0.04 . 1 . . . . . 39 GLY H . 17132 1 336 . 1 1 29 29 GLY HA2 H 1 4.079 0.04 . 2 . . . . . 39 GLY HA2 . 17132 1 337 . 1 1 29 29 GLY HA3 H 1 3.724 0.04 . 2 . . . . . 39 GLY HA3 . 17132 1 338 . 1 1 29 29 GLY C C 13 173.880 0.4 . 1 . . . . . 39 GLY C . 17132 1 339 . 1 1 29 29 GLY CA C 13 45.690 0.40 . 1 . . . . . 39 GLY CA . 17132 1 340 . 1 1 29 29 GLY N N 15 112.419 0.40 . 1 . . . . . 39 GLY N . 17132 1 341 . 1 1 30 30 ALA H H 1 7.765 0.04 . 1 . . . . . 40 ALA H . 17132 1 342 . 1 1 30 30 ALA HA H 1 4.129 0.04 . 1 . . . . . 40 ALA HA . 17132 1 343 . 1 1 30 30 ALA HB1 H 1 1.086 0.04 . 1 . . . . . 40 ALA HB . 17132 1 344 . 1 1 30 30 ALA HB2 H 1 1.086 0.04 . 1 . . . . . 40 ALA HB . 17132 1 345 . 1 1 30 30 ALA HB3 H 1 1.086 0.04 . 1 . . . . . 40 ALA HB . 17132 1 346 . 1 1 30 30 ALA C C 13 176.312 0.4 . 1 . . . . . 40 ALA C . 17132 1 347 . 1 1 30 30 ALA CA C 13 52.010 0.40 . 1 . . . . . 40 ALA CA . 17132 1 348 . 1 1 30 30 ALA CB C 13 20.110 0.40 . 1 . . . . . 40 ALA CB . 17132 1 349 . 1 1 30 30 ALA N N 15 121.623 0.40 . 1 . . . . . 40 ALA N . 17132 1 350 . 1 1 31 31 GLU H H 1 8.280 0.04 . 1 . . . . . 41 GLU H . 17132 1 351 . 1 1 31 31 GLU HA H 1 4.412 0.04 . 1 . . . . . 41 GLU HA . 17132 1 352 . 1 1 31 31 GLU HB2 H 1 2.218 0.04 . 2 . . . . . 41 GLU HB2 . 17132 1 353 . 1 1 31 31 GLU HB3 H 1 2.014 0.04 . 2 . . . . . 41 GLU HB3 . 17132 1 354 . 1 1 31 31 GLU HG2 H 1 2.488 0.04 . 2 . . . . . 41 GLU HG2 . 17132 1 355 . 1 1 31 31 GLU HG3 H 1 2.390 0.04 . 2 . . . . . 41 GLU HG3 . 17132 1 356 . 1 1 31 31 GLU CA C 13 54.860 0.40 . 1 . . . . . 41 GLU CA . 17132 1 357 . 1 1 31 31 GLU CB C 13 29.650 0.40 . 1 . . . . . 41 GLU CB . 17132 1 358 . 1 1 31 31 GLU CG C 13 36.550 0.40 . 1 . . . . . 41 GLU CG . 17132 1 359 . 1 1 31 31 GLU N N 15 121.574 0.40 . 1 . . . . . 41 GLU N . 17132 1 360 . 1 1 32 32 PRO HA H 1 3.934 0.04 . 1 . . . . . 42 PRO HA . 17132 1 361 . 1 1 32 32 PRO HB2 H 1 2.238 0.04 . 2 . . . . . 42 PRO HB2 . 17132 1 362 . 1 1 32 32 PRO HB3 H 1 1.920 0.04 . 2 . . . . . 42 PRO HB3 . 17132 1 363 . 1 1 32 32 PRO HD2 H 1 3.886 0.04 . 2 . . . . . 42 PRO HD2 . 17132 1 364 . 1 1 32 32 PRO HD3 H 1 3.815 0.04 . 2 . . . . . 42 PRO HD3 . 17132 1 365 . 1 1 32 32 PRO HG2 H 1 2.116 0.04 . 2 . . . . . 42 PRO HG2 . 17132 1 366 . 1 1 32 32 PRO HG3 H 1 1.966 0.04 . 2 . . . . . 42 PRO HG3 . 17132 1 367 . 1 1 32 32 PRO C C 13 178.546 0.4 . 1 . . . . . 42 PRO C . 17132 1 368 . 1 1 32 32 PRO CA C 13 65.910 0.40 . 1 . . . . . 42 PRO CA . 17132 1 369 . 1 1 32 32 PRO CB C 13 32.010 0.40 . 1 . . . . . 42 PRO CB . 17132 1 370 . 1 1 32 32 PRO CD C 13 50.750 0.40 . 1 . . . . . 42 PRO CD . 17132 1 371 . 1 1 32 32 PRO CG C 13 27.790 0.40 . 1 . . . . . 42 PRO CG . 17132 1 372 . 1 1 33 33 GLY H H 1 8.694 0.04 . 1 . . . . . 43 GLY H . 17132 1 373 . 1 1 33 33 GLY HA2 H 1 3.802 0.04 . 2 . . . . . 43 GLY HA2 . 17132 1 374 . 1 1 33 33 GLY HA3 H 1 3.669 0.04 . 2 . . . . . 43 GLY HA3 . 17132 1 375 . 1 1 33 33 GLY C C 13 175.725 0.4 . 1 . . . . . 43 GLY C . 17132 1 376 . 1 1 33 33 GLY CA C 13 47.370 0.40 . 1 . . . . . 43 GLY CA . 17132 1 377 . 1 1 33 33 GLY N N 15 107.695 0.40 . 1 . . . . . 43 GLY N . 17132 1 378 . 1 1 34 34 LEU H H 1 7.214 0.04 . 1 . . . . . 44 LEU H . 17132 1 379 . 1 1 34 34 LEU HA H 1 4.145 0.04 . 1 . . . . . 44 LEU HA . 17132 1 380 . 1 1 34 34 LEU HB2 H 1 1.814 0.04 . 2 . . . . . 44 LEU HB2 . 17132 1 381 . 1 1 34 34 LEU HB3 H 1 1.685 0.04 . 2 . . . . . 44 LEU HB3 . 17132 1 382 . 1 1 34 34 LEU HD11 H 1 0.968 0.04 . 1 . . . . . 44 LEU HD1 . 17132 1 383 . 1 1 34 34 LEU HD12 H 1 0.968 0.04 . 1 . . . . . 44 LEU HD1 . 17132 1 384 . 1 1 34 34 LEU HD13 H 1 0.968 0.04 . 1 . . . . . 44 LEU HD1 . 17132 1 385 . 1 1 34 34 LEU HD21 H 1 1.046 0.04 . 1 . . . . . 44 LEU HD2 . 17132 1 386 . 1 1 34 34 LEU HD22 H 1 1.046 0.04 . 1 . . . . . 44 LEU HD2 . 17132 1 387 . 1 1 34 34 LEU HD23 H 1 1.046 0.04 . 1 . . . . . 44 LEU HD2 . 17132 1 388 . 1 1 34 34 LEU HG H 1 1.561 0.04 . 1 . . . . . 44 LEU HG . 17132 1 389 . 1 1 34 34 LEU C C 13 178.454 0.4 . 1 . . . . . 44 LEU C . 17132 1 390 . 1 1 34 34 LEU CA C 13 57.380 0.40 . 1 . . . . . 44 LEU CA . 17132 1 391 . 1 1 34 34 LEU CB C 13 41.910 0.40 . 1 . . . . . 44 LEU CB . 17132 1 392 . 1 1 34 34 LEU CD1 C 13 23.930 0.40 . 1 . . . . . 44 LEU CD1 . 17132 1 393 . 1 1 34 34 LEU CD2 C 13 25.710 0.40 . 1 . . . . . 44 LEU CD2 . 17132 1 394 . 1 1 34 34 LEU CG C 13 27.300 0.40 . 1 . . . . . 44 LEU CG . 17132 1 395 . 1 1 34 34 LEU N N 15 124.486 0.40 . 1 . . . . . 44 LEU N . 17132 1 396 . 1 1 35 35 ALA H H 1 8.061 0.04 . 1 . . . . . 45 ALA H . 17132 1 397 . 1 1 35 35 ALA HA H 1 3.135 0.04 . 1 . . . . . 45 ALA HA . 17132 1 398 . 1 1 35 35 ALA HB1 H 1 0.993 0.04 . 1 . . . . . 45 ALA HB . 17132 1 399 . 1 1 35 35 ALA HB2 H 1 0.993 0.04 . 1 . . . . . 45 ALA HB . 17132 1 400 . 1 1 35 35 ALA HB3 H 1 0.993 0.04 . 1 . . . . . 45 ALA HB . 17132 1 401 . 1 1 35 35 ALA C C 13 177.797 0.4 . 1 . . . . . 45 ALA C . 17132 1 402 . 1 1 35 35 ALA CA C 13 54.780 0.40 . 1 . . . . . 45 ALA CA . 17132 1 403 . 1 1 35 35 ALA CB C 13 20.120 0.40 . 1 . . . . . 45 ALA CB . 17132 1 404 . 1 1 35 35 ALA N N 15 119.257 0.40 . 1 . . . . . 45 ALA N . 17132 1 405 . 1 1 36 36 ARG H H 1 8.042 0.04 . 1 . . . . . 46 ARG H . 17132 1 406 . 1 1 36 36 ARG HA H 1 3.389 0.04 . 1 . . . . . 46 ARG HA . 17132 1 407 . 1 1 36 36 ARG HB2 H 1 1.891 0.04 . 2 . . . . . 46 ARG HB2 . 17132 1 408 . 1 1 36 36 ARG HB3 H 1 1.824 0.04 . 2 . . . . . 46 ARG HB3 . 17132 1 409 . 1 1 36 36 ARG HD2 H 1 3.266 0.04 . 2 . . . . . 46 ARG HD2 . 17132 1 410 . 1 1 36 36 ARG HD3 H 1 3.192 0.04 . 2 . . . . . 46 ARG HD3 . 17132 1 411 . 1 1 36 36 ARG HG2 H 1 1.708 0.04 . 2 . . . . . 46 ARG HG2 . 17132 1 412 . 1 1 36 36 ARG HG3 H 1 1.642 0.04 . 2 . . . . . 46 ARG HG3 . 17132 1 413 . 1 1 36 36 ARG C C 13 177.125 0.4 . 1 . . . . . 46 ARG C . 17132 1 414 . 1 1 36 36 ARG CA C 13 59.660 0.40 . 1 . . . . . 46 ARG CA . 17132 1 415 . 1 1 36 36 ARG CB C 13 29.630 0.40 . 1 . . . . . 46 ARG CB . 17132 1 416 . 1 1 36 36 ARG CD C 13 43.350 0.40 . 1 . . . . . 46 ARG CD . 17132 1 417 . 1 1 36 36 ARG CG C 13 27.840 0.40 . 1 . . . . . 46 ARG CG . 17132 1 418 . 1 1 36 36 ARG N N 15 116.592 0.40 . 1 . . . . . 46 ARG N . 17132 1 419 . 1 1 37 37 ASP H H 1 7.503 0.04 . 1 . . . . . 47 ASP H . 17132 1 420 . 1 1 37 37 ASP HA H 1 4.180 0.04 . 1 . . . . . 47 ASP HA . 17132 1 421 . 1 1 37 37 ASP HB2 H 1 2.746 0.04 . 2 . . . . . 47 ASP HB2 . 17132 1 422 . 1 1 37 37 ASP HB3 H 1 2.554 0.04 . 2 . . . . . 47 ASP HB3 . 17132 1 423 . 1 1 37 37 ASP C C 13 179.783 0.4 . 1 . . . . . 47 ASP C . 17132 1 424 . 1 1 37 37 ASP CA C 13 57.780 0.40 . 1 . . . . . 47 ASP CA . 17132 1 425 . 1 1 37 37 ASP CB C 13 40.430 0.40 . 1 . . . . . 47 ASP CB . 17132 1 426 . 1 1 37 37 ASP N N 15 119.067 0.40 . 1 . . . . . 47 ASP N . 17132 1 427 . 1 1 38 38 LEU H H 1 8.101 0.04 . 1 . . . . . 48 LEU H . 17132 1 428 . 1 1 38 38 LEU HA H 1 3.988 0.04 . 1 . . . . . 48 LEU HA . 17132 1 429 . 1 1 38 38 LEU HB2 H 1 1.530 0.04 . 2 . . . . . 48 LEU HB2 . 17132 1 430 . 1 1 38 38 LEU HB3 H 1 1.194 0.04 . 2 . . . . . 48 LEU HB3 . 17132 1 431 . 1 1 38 38 LEU HD11 H 1 0.951 0.04 . 1 . . . . . 48 LEU HD1 . 17132 1 432 . 1 1 38 38 LEU HD12 H 1 0.951 0.04 . 1 . . . . . 48 LEU HD1 . 17132 1 433 . 1 1 38 38 LEU HD13 H 1 0.951 0.04 . 1 . . . . . 48 LEU HD1 . 17132 1 434 . 1 1 38 38 LEU HD21 H 1 0.842 0.04 . 1 . . . . . 48 LEU HD2 . 17132 1 435 . 1 1 38 38 LEU HD22 H 1 0.842 0.04 . 1 . . . . . 48 LEU HD2 . 17132 1 436 . 1 1 38 38 LEU HD23 H 1 0.842 0.04 . 1 . . . . . 48 LEU HD2 . 17132 1 437 . 1 1 38 38 LEU HG H 1 1.731 0.04 . 1 . . . . . 48 LEU HG . 17132 1 438 . 1 1 38 38 LEU C C 13 180.045 0.4 . 1 . . . . . 48 LEU C . 17132 1 439 . 1 1 38 38 LEU CA C 13 57.230 0.40 . 1 . . . . . 48 LEU CA . 17132 1 440 . 1 1 38 38 LEU CB C 13 41.550 0.40 . 1 . . . . . 48 LEU CB . 17132 1 441 . 1 1 38 38 LEU CD1 C 13 26.510 0.40 . 1 . . . . . 48 LEU CD1 . 17132 1 442 . 1 1 38 38 LEU CD2 C 13 23.360 0.40 . 1 . . . . . 48 LEU CD2 . 17132 1 443 . 1 1 38 38 LEU CG C 13 27.090 0.40 . 1 . . . . . 48 LEU CG . 17132 1 444 . 1 1 38 38 LEU N N 15 120.778 0.40 . 1 . . . . . 48 LEU N . 17132 1 445 . 1 1 39 39 LEU H H 1 7.895 0.04 . 1 . . . . . 49 LEU H . 17132 1 446 . 1 1 39 39 LEU HA H 1 3.058 0.04 . 1 . . . . . 49 LEU HA . 17132 1 447 . 1 1 39 39 LEU HB2 H 1 0.753 0.04 . 2 . . . . . 49 LEU HB2 . 17132 1 448 . 1 1 39 39 LEU HB3 H 1 -0.464 0.04 . 2 . . . . . 49 LEU HB3 . 17132 1 449 . 1 1 39 39 LEU HD11 H 1 0.391 0.04 . 1 . . . . . 49 LEU HD1 . 17132 1 450 . 1 1 39 39 LEU HD12 H 1 0.391 0.04 . 1 . . . . . 49 LEU HD1 . 17132 1 451 . 1 1 39 39 LEU HD13 H 1 0.391 0.04 . 1 . . . . . 49 LEU HD1 . 17132 1 452 . 1 1 39 39 LEU HD21 H 1 0.318 0.04 . 1 . . . . . 49 LEU HD2 . 17132 1 453 . 1 1 39 39 LEU HD22 H 1 0.318 0.04 . 1 . . . . . 49 LEU HD2 . 17132 1 454 . 1 1 39 39 LEU HD23 H 1 0.318 0.04 . 1 . . . . . 49 LEU HD2 . 17132 1 455 . 1 1 39 39 LEU HG H 1 0.608 0.04 . 1 . . . . . 49 LEU HG . 17132 1 456 . 1 1 39 39 LEU C C 13 179.599 0.4 . 1 . . . . . 49 LEU C . 17132 1 457 . 1 1 39 39 LEU CA C 13 57.850 0.40 . 1 . . . . . 49 LEU CA . 17132 1 458 . 1 1 39 39 LEU CB C 13 39.960 0.40 . 1 . . . . . 49 LEU CB . 17132 1 459 . 1 1 39 39 LEU CD1 C 13 25.310 0.40 . 1 . . . . . 49 LEU CD1 . 17132 1 460 . 1 1 39 39 LEU CD2 C 13 23.580 0.40 . 1 . . . . . 49 LEU CD2 . 17132 1 461 . 1 1 39 39 LEU CG C 13 27.660 0.40 . 1 . . . . . 49 LEU CG . 17132 1 462 . 1 1 39 39 LEU N N 15 119.989 0.40 . 1 . . . . . 49 LEU N . 17132 1 463 . 1 1 40 40 GLU H H 1 8.463 0.04 . 1 . . . . . 50 GLU H . 17132 1 464 . 1 1 40 40 GLU HA H 1 3.347 0.04 . 1 . . . . . 50 GLU HA . 17132 1 465 . 1 1 40 40 GLU HB2 H 1 2.020 0.04 . 2 . . . . . 50 GLU HB2 . 17132 1 466 . 1 1 40 40 GLU HB3 H 1 1.906 0.04 . 2 . . . . . 50 GLU HB3 . 17132 1 467 . 1 1 40 40 GLU HG2 H 1 2.357 0.04 . 2 . . . . . 50 GLU HG2 . 17132 1 468 . 1 1 40 40 GLU HG3 H 1 2.305 0.04 . 2 . . . . . 50 GLU HG3 . 17132 1 469 . 1 1 40 40 GLU C C 13 180.886 0.4 . 1 . . . . . 50 GLU C . 17132 1 470 . 1 1 40 40 GLU CA C 13 59.800 0.40 . 1 . . . . . 50 GLU CA . 17132 1 471 . 1 1 40 40 GLU CB C 13 29.370 0.40 . 1 . . . . . 50 GLU CB . 17132 1 472 . 1 1 40 40 GLU CG C 13 36.740 0.40 . 1 . . . . . 50 GLU CG . 17132 1 473 . 1 1 40 40 GLU N N 15 121.202 0.40 . 1 . . . . . 50 GLU N . 17132 1 474 . 1 1 41 41 GLY H H 1 7.672 0.04 . 1 . . . . . 51 GLY H . 17132 1 475 . 1 1 41 41 GLY HA2 H 1 3.890 0.04 . 2 . . . . . 51 GLY HA2 . 17132 1 476 . 1 1 41 41 GLY HA3 H 1 3.813 0.04 . 2 . . . . . 51 GLY HA3 . 17132 1 477 . 1 1 41 41 GLY C C 13 174.750 0.4 . 1 . . . . . 51 GLY C . 17132 1 478 . 1 1 41 41 GLY CA C 13 46.470 0.40 . 1 . . . . . 51 GLY CA . 17132 1 479 . 1 1 41 41 GLY N N 15 106.110 0.40 . 1 . . . . . 51 GLY N . 17132 1 480 . 1 1 42 42 LYS H H 1 6.952 0.04 . 1 . . . . . 52 LYS H . 17132 1 481 . 1 1 42 42 LYS HA H 1 4.574 0.04 . 1 . . . . . 52 LYS HA . 17132 1 482 . 1 1 42 42 LYS HB2 H 1 2.193 0.04 . 2 . . . . . 52 LYS HB2 . 17132 1 483 . 1 1 42 42 LYS HB3 H 1 1.436 0.04 . 2 . . . . . 52 LYS HB3 . 17132 1 484 . 1 1 42 42 LYS HD2 H 1 1.668 0.04 . 2 . . . . . 52 LYS HD2 . 17132 1 485 . 1 1 42 42 LYS HD3 H 1 1.401 0.04 . 2 . . . . . 52 LYS HD3 . 17132 1 486 . 1 1 42 42 LYS HE2 H 1 2.874 0.04 . 2 . . . . . 52 LYS HE2 . 17132 1 487 . 1 1 42 42 LYS HE3 H 1 2.800 0.04 . 2 . . . . . 52 LYS HE3 . 17132 1 488 . 1 1 42 42 LYS HG2 H 1 1.499 0.04 . 2 . . . . . 52 LYS HG2 . 17132 1 489 . 1 1 42 42 LYS HG3 H 1 0.968 0.04 . 2 . . . . . 52 LYS HG3 . 17132 1 490 . 1 1 42 42 LYS C C 13 176.680 0.4 . 1 . . . . . 52 LYS C . 17132 1 491 . 1 1 42 42 LYS CA C 13 52.360 0.40 . 1 . . . . . 52 LYS CA . 17132 1 492 . 1 1 42 42 LYS CB C 13 31.870 0.40 . 1 . . . . . 52 LYS CB . 17132 1 493 . 1 1 42 42 LYS CD C 13 27.680 0.40 . 1 . . . . . 52 LYS CD . 17132 1 494 . 1 1 42 42 LYS CE C 13 42.290 0.40 . 1 . . . . . 52 LYS CE . 17132 1 495 . 1 1 42 42 LYS CG C 13 23.670 0.40 . 1 . . . . . 52 LYS CG . 17132 1 496 . 1 1 42 42 LYS N N 15 117.514 0.40 . 1 . . . . . 52 LYS N . 17132 1 497 . 1 1 43 43 ASN H H 1 7.980 0.04 . 1 . . . . . 53 ASN H . 17132 1 498 . 1 1 43 43 ASN HA H 1 4.426 0.04 . 1 . . . . . 53 ASN HA . 17132 1 499 . 1 1 43 43 ASN HB2 H 1 3.094 0.04 . 2 . . . . . 53 ASN HB2 . 17132 1 500 . 1 1 43 43 ASN HB3 H 1 2.698 0.04 . 2 . . . . . 53 ASN HB3 . 17132 1 501 . 1 1 43 43 ASN HD21 H 1 7.560 0.04 . 1 . . . . . 53 ASN HD21 . 17132 1 502 . 1 1 43 43 ASN HD22 H 1 6.822 0.04 . 2 . . . . . 53 ASN HD22 . 17132 1 503 . 1 1 43 43 ASN C C 13 174.078 0.4 . 1 . . . . . 53 ASN C . 17132 1 504 . 1 1 43 43 ASN CA C 13 55.100 0.40 . 1 . . . . . 53 ASN CA . 17132 1 505 . 1 1 43 43 ASN CB C 13 37.180 0.40 . 1 . . . . . 53 ASN CB . 17132 1 506 . 1 1 43 43 ASN N N 15 118.323 0.40 . 1 . . . . . 53 ASN N . 17132 1 507 . 1 1 43 43 ASN ND2 N 15 112.300 0.04 . 2 . . . . . 53 ASN ND2 . 17132 1 508 . 1 1 44 44 TRP H H 1 8.660 0.04 . 1 . . . . . 54 TRP H . 17132 1 509 . 1 1 44 44 TRP HA H 1 2.978 0.04 . 1 . . . . . 54 TRP HA . 17132 1 510 . 1 1 44 44 TRP HB2 H 1 3.518 0.04 . 2 . . . . . 54 TRP HB2 . 17132 1 511 . 1 1 44 44 TRP HB3 H 1 3.196 0.04 . 2 . . . . . 54 TRP HB3 . 17132 1 512 . 1 1 44 44 TRP HD1 H 1 7.014 0.04 . 1 . . . . . 54 TRP HD1 . 17132 1 513 . 1 1 44 44 TRP HE1 H 1 10.294 0.04 . 1 . . . . . 54 TRP HE1 . 17132 1 514 . 1 1 44 44 TRP HE3 H 1 7.286 0.04 . 2 . . . . . 54 TRP HE3 . 17132 1 515 . 1 1 44 44 TRP HH2 H 1 6.903 0.04 . 2 . . . . . 54 TRP HH2 . 17132 1 516 . 1 1 44 44 TRP HZ2 H 1 7.434 0.04 . 2 . . . . . 54 TRP HZ2 . 17132 1 517 . 1 1 44 44 TRP HZ3 H 1 7.032 0.04 . 2 . . . . . 54 TRP HZ3 . 17132 1 518 . 1 1 44 44 TRP C C 13 172.827 0.4 . 1 . . . . . 54 TRP C . 17132 1 519 . 1 1 44 44 TRP CA C 13 59.580 0.40 . 1 . . . . . 54 TRP CA . 17132 1 520 . 1 1 44 44 TRP CB C 13 24.100 0.40 . 1 . . . . . 54 TRP CB . 17132 1 521 . 1 1 44 44 TRP CD1 C 13 126.923 0.40 . 1 . . . . . 54 TRP CD1 . 17132 1 522 . 1 1 44 44 TRP CE3 C 13 118.969 0.40 . 1 . . . . . 54 TRP CE3 . 17132 1 523 . 1 1 44 44 TRP CH2 C 13 123.462 0.40 . 1 . . . . . 54 TRP CH2 . 17132 1 524 . 1 1 44 44 TRP CZ2 C 13 115.120 0.40 . 1 . . . . . 54 TRP CZ2 . 17132 1 525 . 1 1 44 44 TRP CZ3 C 13 123.254 0.40 . 1 . . . . . 54 TRP CZ3 . 17132 1 526 . 1 1 44 44 TRP N N 15 108.937 0.40 . 1 . . . . . 54 TRP N . 17132 1 527 . 1 1 44 44 TRP NE1 N 15 129.898 0.04 . 1 . . . . . 54 TRP NE1 . 17132 1 528 . 1 1 45 45 ASP H H 1 7.010 0.04 . 1 . . . . . 55 ASP H . 17132 1 529 . 1 1 45 45 ASP HA H 1 4.609 0.04 . 1 . . . . . 55 ASP HA . 17132 1 530 . 1 1 45 45 ASP HB2 H 1 3.021 0.04 . 2 . . . . . 55 ASP HB2 . 17132 1 531 . 1 1 45 45 ASP HB3 H 1 2.562 0.04 . 2 . . . . . 55 ASP HB3 . 17132 1 532 . 1 1 45 45 ASP C C 13 175.244 0.4 . 1 . . . . . 55 ASP C . 17132 1 533 . 1 1 45 45 ASP CA C 13 53.080 0.40 . 1 . . . . . 55 ASP CA . 17132 1 534 . 1 1 45 45 ASP CB C 13 41.230 0.40 . 1 . . . . . 55 ASP CB . 17132 1 535 . 1 1 45 45 ASP N N 15 117.886 0.40 . 1 . . . . . 55 ASP N . 17132 1 536 . 1 1 46 46 LEU H H 1 8.321 0.04 . 1 . . . . . 56 LEU H . 17132 1 537 . 1 1 46 46 LEU HA H 1 3.813 0.04 . 1 . . . . . 56 LEU HA . 17132 1 538 . 1 1 46 46 LEU HB2 H 1 1.891 0.04 . 2 . . . . . 56 LEU HB2 . 17132 1 539 . 1 1 46 46 LEU HB3 H 1 1.618 0.04 . 2 . . . . . 56 LEU HB3 . 17132 1 540 . 1 1 46 46 LEU HD11 H 1 1.064 0.04 . 1 . . . . . 56 LEU HD1 . 17132 1 541 . 1 1 46 46 LEU HD12 H 1 1.064 0.04 . 1 . . . . . 56 LEU HD1 . 17132 1 542 . 1 1 46 46 LEU HD13 H 1 1.064 0.04 . 1 . . . . . 56 LEU HD1 . 17132 1 543 . 1 1 46 46 LEU HD21 H 1 0.989 0.04 . 1 . . . . . 56 LEU HD2 . 17132 1 544 . 1 1 46 46 LEU HD22 H 1 0.989 0.04 . 1 . . . . . 56 LEU HD2 . 17132 1 545 . 1 1 46 46 LEU HD23 H 1 0.989 0.04 . 1 . . . . . 56 LEU HD2 . 17132 1 546 . 1 1 46 46 LEU HG H 1 1.635 0.04 . 1 . . . . . 56 LEU HG . 17132 1 547 . 1 1 46 46 LEU C C 13 177.542 0.4 . 1 . . . . . 56 LEU C . 17132 1 548 . 1 1 46 46 LEU CA C 13 58.790 0.40 . 1 . . . . . 56 LEU CA . 17132 1 549 . 1 1 46 46 LEU CB C 13 42.350 0.40 . 1 . . . . . 56 LEU CB . 17132 1 550 . 1 1 46 46 LEU CD1 C 13 24.330 0.40 . 1 . . . . . 56 LEU CD1 . 17132 1 551 . 1 1 46 46 LEU CD2 C 13 25.880 0.40 . 1 . . . . . 56 LEU CD2 . 17132 1 552 . 1 1 46 46 LEU CG C 13 27.040 0.40 . 1 . . . . . 56 LEU CG . 17132 1 553 . 1 1 46 46 LEU N N 15 128.530 0.40 . 1 . . . . . 56 LEU N . 17132 1 554 . 1 1 47 47 THR H H 1 8.035 0.04 . 1 . . . . . 57 THR H . 17132 1 555 . 1 1 47 47 THR HA H 1 3.768 0.04 . 1 . . . . . 57 THR HA . 17132 1 556 . 1 1 47 47 THR HB H 1 4.220 0.04 . 1 . . . . . 57 THR HB . 17132 1 557 . 1 1 47 47 THR HG21 H 1 1.191 0.04 . 1 . . . . . 57 THR HG2 . 17132 1 558 . 1 1 47 47 THR HG22 H 1 1.191 0.04 . 1 . . . . . 57 THR HG2 . 17132 1 559 . 1 1 47 47 THR HG23 H 1 1.191 0.04 . 1 . . . . . 57 THR HG2 . 17132 1 560 . 1 1 47 47 THR C C 13 177.090 0.4 . 1 . . . . . 57 THR C . 17132 1 561 . 1 1 47 47 THR CA C 13 66.700 0.40 . 1 . . . . . 57 THR CA . 17132 1 562 . 1 1 47 47 THR CB C 13 68.290 0.40 . 1 . . . . . 57 THR CB . 17132 1 563 . 1 1 47 47 THR CG2 C 13 21.760 0.40 . 1 . . . . . 57 THR CG2 . 17132 1 564 . 1 1 47 47 THR N N 15 113.680 0.40 . 1 . . . . . 57 THR N . 17132 1 565 . 1 1 48 48 ALA H H 1 8.001 0.04 . 1 . . . . . 58 ALA H . 17132 1 566 . 1 1 48 48 ALA HA H 1 4.135 0.04 . 1 . . . . . 58 ALA HA . 17132 1 567 . 1 1 48 48 ALA HB1 H 1 1.365 0.04 . 1 . . . . . 58 ALA HB . 17132 1 568 . 1 1 48 48 ALA HB2 H 1 1.365 0.04 . 1 . . . . . 58 ALA HB . 17132 1 569 . 1 1 48 48 ALA HB3 H 1 1.365 0.04 . 1 . . . . . 58 ALA HB . 17132 1 570 . 1 1 48 48 ALA C C 13 180.137 0.4 . 1 . . . . . 58 ALA C . 17132 1 571 . 1 1 48 48 ALA CA C 13 54.420 0.40 . 1 . . . . . 58 ALA CA . 17132 1 572 . 1 1 48 48 ALA CB C 13 18.680 0.40 . 1 . . . . . 58 ALA CB . 17132 1 573 . 1 1 48 48 ALA N N 15 125.052 0.40 . 1 . . . . . 58 ALA N . 17132 1 574 . 1 1 49 49 ALA H H 1 8.357 0.04 . 1 . . . . . 59 ALA H . 17132 1 575 . 1 1 49 49 ALA HA H 1 3.897 0.04 . 1 . . . . . 59 ALA HA . 17132 1 576 . 1 1 49 49 ALA HB1 H 1 1.168 0.04 . 1 . . . . . 59 ALA HB . 17132 1 577 . 1 1 49 49 ALA HB2 H 1 1.168 0.04 . 1 . . . . . 59 ALA HB . 17132 1 578 . 1 1 49 49 ALA HB3 H 1 1.168 0.04 . 1 . . . . . 59 ALA HB . 17132 1 579 . 1 1 49 49 ALA C C 13 179.656 0.4 . 1 . . . . . 59 ALA C . 17132 1 580 . 1 1 49 49 ALA CA C 13 55.460 0.40 . 1 . . . . . 59 ALA CA . 17132 1 581 . 1 1 49 49 ALA CB C 13 18.790 0.40 . 1 . . . . . 59 ALA CB . 17132 1 582 . 1 1 49 49 ALA N N 15 121.222 0.40 . 1 . . . . . 59 ALA N . 17132 1 583 . 1 1 50 50 LEU HA H 1 3.992 0.04 . 1 . . . . . 60 LEU HA . 17132 1 584 . 1 1 50 50 LEU HB2 H 1 1.911 0.04 . 2 . . . . . 60 LEU HB2 . 17132 1 585 . 1 1 50 50 LEU HB3 H 1 1.390 0.04 . 2 . . . . . 60 LEU HB3 . 17132 1 586 . 1 1 50 50 LEU HD11 H 1 0.727 0.04 . 1 . . . . . 60 LEU HD1 . 17132 1 587 . 1 1 50 50 LEU HD12 H 1 0.727 0.04 . 1 . . . . . 60 LEU HD1 . 17132 1 588 . 1 1 50 50 LEU HD13 H 1 0.727 0.04 . 1 . . . . . 60 LEU HD1 . 17132 1 589 . 1 1 50 50 LEU HD21 H 1 0.311 0.04 . 1 . . . . . 60 LEU HD2 . 17132 1 590 . 1 1 50 50 LEU HD22 H 1 0.311 0.04 . 1 . . . . . 60 LEU HD2 . 17132 1 591 . 1 1 50 50 LEU HD23 H 1 0.311 0.04 . 1 . . . . . 60 LEU HD2 . 17132 1 592 . 1 1 50 50 LEU HG H 1 1.699 0.04 . 1 . . . . . 60 LEU HG . 17132 1 593 . 1 1 50 50 LEU C C 13 179.741 0.4 . 1 . . . . . 60 LEU C . 17132 1 594 . 1 1 50 50 LEU CA C 13 58.290 0.40 . 1 . . . . . 60 LEU CA . 17132 1 595 . 1 1 50 50 LEU CB C 13 41.840 0.40 . 1 . . . . . 60 LEU CB . 17132 1 596 . 1 1 50 50 LEU CD1 C 13 26.040 0.40 . 1 . . . . . 60 LEU CD1 . 17132 1 597 . 1 1 50 50 LEU CD2 C 13 23.470 0.40 . 1 . . . . . 60 LEU CD2 . 17132 1 598 . 1 1 50 50 LEU CG C 13 26.800 0.40 . 1 . . . . . 60 LEU CG . 17132 1 599 . 1 1 51 51 SER H H 1 7.730 0.04 . 1 . . . . . 61 SER H . 17132 1 600 . 1 1 51 51 SER HA H 1 4.271 0.04 . 1 . . . . . 61 SER HA . 17132 1 601 . 1 1 51 51 SER HB2 H 1 4.010 0.04 . 2 . . . . . 61 SER HB2 . 17132 1 602 . 1 1 51 51 SER HB3 H 1 3.983 0.04 . 2 . . . . . 61 SER HB3 . 17132 1 603 . 1 1 51 51 SER C C 13 177.429 0.4 . 1 . . . . . 61 SER C . 17132 1 604 . 1 1 51 51 SER CA C 13 61.430 0.40 . 1 . . . . . 61 SER CA . 17132 1 605 . 1 1 51 51 SER CB C 13 62.730 0.40 . 1 . . . . . 61 SER CB . 17132 1 606 . 1 1 51 51 SER N N 15 114.861 0.40 . 1 . . . . . 61 SER N . 17132 1 607 . 1 1 52 52 ASP H H 1 7.875 0.04 . 1 . . . . . 62 ASP H . 17132 1 608 . 1 1 52 52 ASP HA H 1 4.423 0.04 . 1 . . . . . 62 ASP HA . 17132 1 609 . 1 1 52 52 ASP HB2 H 1 2.814 0.04 . 2 . . . . . 62 ASP HB2 . 17132 1 610 . 1 1 52 52 ASP HB3 H 1 2.586 0.04 . 2 . . . . . 62 ASP HB3 . 17132 1 611 . 1 1 52 52 ASP C C 13 178.793 0.4 . 1 . . . . . 62 ASP C . 17132 1 612 . 1 1 52 52 ASP CA C 13 57.130 0.40 . 1 . . . . . 62 ASP CA . 17132 1 613 . 1 1 52 52 ASP CB C 13 40.290 0.40 . 1 . . . . . 62 ASP CB . 17132 1 614 . 1 1 52 52 ASP N N 15 122.027 0.40 . 1 . . . . . 62 ASP N . 17132 1 615 . 1 1 53 53 TYR H H 1 8.444 0.04 . 1 . . . . . 63 TYR H . 17132 1 616 . 1 1 53 53 TYR HA H 1 4.026 0.04 . 1 . . . . . 63 TYR HA . 17132 1 617 . 1 1 53 53 TYR HB2 H 1 3.238 0.04 . 2 . . . . . 63 TYR HB2 . 17132 1 618 . 1 1 53 53 TYR HB3 H 1 3.184 0.04 . 2 . . . . . 63 TYR HB3 . 17132 1 619 . 1 1 53 53 TYR HD1 H 1 6.978 0.04 . 2 . . . . . 63 TYR HD1 . 17132 1 620 . 1 1 53 53 TYR HD2 H 1 6.978 0.04 . 2 . . . . . 63 TYR HD2 . 17132 1 621 . 1 1 53 53 TYR HE1 H 1 6.713 0.04 . 2 . . . . . 63 TYR HE1 . 17132 1 622 . 1 1 53 53 TYR HE2 H 1 6.713 0.04 . 2 . . . . . 63 TYR HE2 . 17132 1 623 . 1 1 53 53 TYR C C 13 176.892 0.4 . 1 . . . . . 63 TYR C . 17132 1 624 . 1 1 53 53 TYR CA C 13 62.080 0.40 . 1 . . . . . 63 TYR CA . 17132 1 625 . 1 1 53 53 TYR CB C 13 38.550 0.40 . 1 . . . . . 63 TYR CB . 17132 1 626 . 1 1 53 53 TYR CD1 C 13 132.908 0.40 . 1 . . . . . 63 TYR CD1 . 17132 1 627 . 1 1 53 53 TYR CE1 C 13 117.885 0.40 . 1 . . . . . 63 TYR CE1 . 17132 1 628 . 1 1 53 53 TYR N N 15 121.437 0.40 . 1 . . . . . 63 TYR N . 17132 1 629 . 1 1 54 54 GLU H H 1 8.075 0.04 . 1 . . . . . 64 GLU H . 17132 1 630 . 1 1 54 54 GLU HA H 1 3.893 0.04 . 1 . . . . . 64 GLU HA . 17132 1 631 . 1 1 54 54 GLU HB2 H 1 2.144 0.04 . 2 . . . . . 64 GLU HB2 . 17132 1 632 . 1 1 54 54 GLU HB3 H 1 2.080 0.04 . 2 . . . . . 64 GLU HB3 . 17132 1 633 . 1 1 54 54 GLU HG2 H 1 2.361 0.04 . 2 . . . . . 64 GLU HG2 . 17132 1 634 . 1 1 54 54 GLU HG3 H 1 2.326 0.04 . 2 . . . . . 64 GLU HG3 . 17132 1 635 . 1 1 54 54 GLU C C 13 178.779 0.4 . 1 . . . . . 64 GLU C . 17132 1 636 . 1 1 54 54 GLU CA C 13 58.750 0.40 . 1 . . . . . 64 GLU CA . 17132 1 637 . 1 1 54 54 GLU CB C 13 29.190 0.40 . 1 . . . . . 64 GLU CB . 17132 1 638 . 1 1 54 54 GLU CG C 13 35.660 0.40 . 1 . . . . . 64 GLU CG . 17132 1 639 . 1 1 54 54 GLU N N 15 117.866 0.40 . 1 . . . . . 64 GLU N . 17132 1 640 . 1 1 55 55 GLN H H 1 7.613 0.04 . 1 . . . . . 65 GLN H . 17132 1 641 . 1 1 55 55 GLN HA H 1 4.045 0.04 . 1 . . . . . 65 GLN HA . 17132 1 642 . 1 1 55 55 GLN HB2 H 1 2.136 0.04 . 2 . . . . . 65 GLN HB2 . 17132 1 643 . 1 1 55 55 GLN HB3 H 1 2.085 0.04 . 2 . . . . . 65 GLN HB3 . 17132 1 644 . 1 1 55 55 GLN HE21 H 1 7.404 0.04 . 1 . . . . . 65 GLN HE21 . 17132 1 645 . 1 1 55 55 GLN HE22 H 1 6.748 0.04 . 2 . . . . . 65 GLN HE22 . 17132 1 646 . 1 1 55 55 GLN HG2 H 1 2.458 0.04 . 2 . . . . . 65 GLN HG2 . 17132 1 647 . 1 1 55 55 GLN HG3 H 1 2.378 0.04 . 2 . . . . . 65 GLN HG3 . 17132 1 648 . 1 1 55 55 GLN C C 13 177.938 0.4 . 1 . . . . . 65 GLN C . 17132 1 649 . 1 1 55 55 GLN CA C 13 57.960 0.40 . 1 . . . . . 65 GLN CA . 17132 1 650 . 1 1 55 55 GLN CB C 13 28.510 0.40 . 1 . . . . . 65 GLN CB . 17132 1 651 . 1 1 55 55 GLN CG C 13 33.950 0.40 . 1 . . . . . 65 GLN CG . 17132 1 652 . 1 1 55 55 GLN N N 15 116.754 0.40 . 1 . . . . . 65 GLN N . 17132 1 653 . 1 1 55 55 GLN NE2 N 15 112.417 0.04 . 2 . . . . . 65 GLN NE2 . 17132 1 654 . 1 1 56 56 LEU H H 1 7.735 0.04 . 1 . . . . . 66 LEU H . 17132 1 655 . 1 1 56 56 LEU HA H 1 4.064 0.04 . 1 . . . . . 66 LEU HA . 17132 1 656 . 1 1 56 56 LEU HB2 H 1 1.636 0.04 . 2 . . . . . 66 LEU HB2 . 17132 1 657 . 1 1 56 56 LEU HB3 H 1 1.466 0.04 . 2 . . . . . 66 LEU HB3 . 17132 1 658 . 1 1 56 56 LEU HD11 H 1 0.846 0.04 . 1 . . . . . 66 LEU HD1 . 17132 1 659 . 1 1 56 56 LEU HD12 H 1 0.846 0.04 . 1 . . . . . 66 LEU HD1 . 17132 1 660 . 1 1 56 56 LEU HD13 H 1 0.846 0.04 . 1 . . . . . 66 LEU HD1 . 17132 1 661 . 1 1 56 56 LEU HD21 H 1 0.807 0.04 . 1 . . . . . 66 LEU HD2 . 17132 1 662 . 1 1 56 56 LEU HD22 H 1 0.807 0.04 . 1 . . . . . 66 LEU HD2 . 17132 1 663 . 1 1 56 56 LEU HD23 H 1 0.807 0.04 . 1 . . . . . 66 LEU HD2 . 17132 1 664 . 1 1 56 56 LEU HG H 1 1.649 0.04 . 1 . . . . . 66 LEU HG . 17132 1 665 . 1 1 56 56 LEU C C 13 178.617 0.4 . 1 . . . . . 66 LEU C . 17132 1 666 . 1 1 56 56 LEU CA C 13 56.690 0.40 . 1 . . . . . 66 LEU CA . 17132 1 667 . 1 1 56 56 LEU CB C 13 42.200 0.40 . 1 . . . . . 66 LEU CB . 17132 1 668 . 1 1 56 56 LEU CD1 C 13 25.130 0.40 . 1 . . . . . 66 LEU CD1 . 17132 1 669 . 1 1 56 56 LEU CD2 C 13 23.710 0.40 . 1 . . . . . 66 LEU CD2 . 17132 1 670 . 1 1 56 56 LEU CG C 13 26.840 0.40 . 1 . . . . . 66 LEU CG . 17132 1 671 . 1 1 56 56 LEU N N 15 120.312 0.40 . 1 . . . . . 66 LEU N . 17132 1 672 . 1 1 57 57 ARG H H 1 7.743 0.04 . 1 . . . . . 67 ARG H . 17132 1 673 . 1 1 57 57 ARG HA H 1 3.966 0.04 . 1 . . . . . 67 ARG HA . 17132 1 674 . 1 1 57 57 ARG HB2 H 1 1.624 0.04 . 2 . . . . . 67 ARG HB2 . 17132 1 675 . 1 1 57 57 ARG HB3 H 1 1.586 0.04 . 2 . . . . . 67 ARG HB3 . 17132 1 676 . 1 1 57 57 ARG HD2 H 1 3.005 0.04 . 2 . . . . . 67 ARG HD2 . 17132 1 677 . 1 1 57 57 ARG HD3 H 1 3.005 0.04 . 2 . . . . . 67 ARG HD3 . 17132 1 678 . 1 1 57 57 ARG HG2 H 1 1.389 0.04 . 2 . . . . . 67 ARG HG2 . 17132 1 679 . 1 1 57 57 ARG HG3 H 1 1.362 0.04 . 2 . . . . . 67 ARG HG3 . 17132 1 680 . 1 1 57 57 ARG C C 13 177.125 0.4 . 1 . . . . . 67 ARG C . 17132 1 681 . 1 1 57 57 ARG CA C 13 57.200 0.40 . 1 . . . . . 67 ARG CA . 17132 1 682 . 1 1 57 57 ARG CB C 13 29.990 0.40 . 1 . . . . . 67 ARG CB . 17132 1 683 . 1 1 57 57 ARG CD C 13 43.170 0.40 . 1 . . . . . 67 ARG CD . 17132 1 684 . 1 1 57 57 ARG CG C 13 26.800 0.40 . 1 . . . . . 67 ARG CG . 17132 1 685 . 1 1 57 57 ARG N N 15 118.210 0.40 . 1 . . . . . 67 ARG N . 17132 1 686 . 1 1 58 58 GLN H H 1 7.756 0.04 . 1 . . . . . 68 GLN H . 17132 1 687 . 1 1 58 58 GLN HA H 1 4.145 0.04 . 1 . . . . . 68 GLN HA . 17132 1 688 . 1 1 58 58 GLN HB2 H 1 2.055 0.04 . 2 . . . . . 68 GLN HB2 . 17132 1 689 . 1 1 58 58 GLN HB3 H 1 1.973 0.04 . 2 . . . . . 68 GLN HB3 . 17132 1 690 . 1 1 58 58 GLN HE21 H 1 7.461 0.04 . 1 . . . . . 68 GLN HE21 . 17132 1 691 . 1 1 58 58 GLN HE22 H 1 6.750 0.04 . 2 . . . . . 68 GLN HE22 . 17132 1 692 . 1 1 58 58 GLN HG2 H 1 2.367 0.04 . 2 . . . . . 68 GLN HG2 . 17132 1 693 . 1 1 58 58 GLN HG3 H 1 2.302 0.04 . 2 . . . . . 68 GLN HG3 . 17132 1 694 . 1 1 58 58 GLN C C 13 176.503 0.4 . 1 . . . . . 68 GLN C . 17132 1 695 . 1 1 58 58 GLN CA C 13 56.660 0.40 . 1 . . . . . 68 GLN CA . 17132 1 696 . 1 1 58 58 GLN CB C 13 28.830 0.40 . 1 . . . . . 68 GLN CB . 17132 1 697 . 1 1 58 58 GLN CG C 13 33.730 0.40 . 1 . . . . . 68 GLN CG . 17132 1 698 . 1 1 58 58 GLN N N 15 118.646 0.40 . 1 . . . . . 68 GLN N . 17132 1 699 . 1 1 58 58 GLN NE2 N 15 112.100 0.04 . 2 . . . . . 68 GLN NE2 . 17132 1 700 . 1 1 59 59 VAL H H 1 8.803 0.04 . 1 . . . . . 69 VAL H . 17132 1 701 . 1 1 59 59 VAL HA H 1 3.936 0.04 . 1 . . . . . 69 VAL HA . 17132 1 702 . 1 1 59 59 VAL HB H 1 1.999 0.04 . 1 . . . . . 69 VAL HB . 17132 1 703 . 1 1 59 59 VAL HG11 H 1 0.791 0.04 . 1 . . . . . 69 VAL HG1 . 17132 1 704 . 1 1 59 59 VAL HG12 H 1 0.791 0.04 . 1 . . . . . 69 VAL HG1 . 17132 1 705 . 1 1 59 59 VAL HG13 H 1 0.791 0.04 . 1 . . . . . 69 VAL HG1 . 17132 1 706 . 1 1 59 59 VAL HG21 H 1 0.868 0.04 . 1 . . . . . 69 VAL HG2 . 17132 1 707 . 1 1 59 59 VAL HG22 H 1 0.868 0.04 . 1 . . . . . 69 VAL HG2 . 17132 1 708 . 1 1 59 59 VAL HG23 H 1 0.868 0.04 . 1 . . . . . 69 VAL HG2 . 17132 1 709 . 1 1 59 59 VAL C C 13 176.446 0.4 . 1 . . . . . 69 VAL C . 17132 1 710 . 1 1 59 59 VAL CA C 13 63.050 0.40 . 1 . . . . . 69 VAL CA . 17132 1 711 . 1 1 59 59 VAL CB C 13 32.370 0.40 . 1 . . . . . 69 VAL CB . 17132 1 712 . 1 1 59 59 VAL CG1 C 13 20.920 0.40 . 1 . . . . . 69 VAL CG1 . 17132 1 713 . 1 1 59 59 VAL CG2 C 13 20.630 0.40 . 1 . . . . . 69 VAL CG2 . 17132 1 714 . 1 1 59 59 VAL N N 15 119.326 0.40 . 1 . . . . . 69 VAL N . 17132 1 715 . 1 1 60 60 HIS H H 1 8.251 0.04 . 1 . . . . . 70 HIS H . 17132 1 716 . 1 1 60 60 HIS HA H 1 4.651 0.04 . 1 . . . . . 70 HIS HA . 17132 1 717 . 1 1 60 60 HIS HB2 H 1 3.171 0.04 . 2 . . . . . 70 HIS HB2 . 17132 1 718 . 1 1 60 60 HIS HB3 H 1 3.062 0.04 . 2 . . . . . 70 HIS HB3 . 17132 1 719 . 1 1 60 60 HIS HD2 H 1 7.062 0.04 . 2 . . . . . 70 HIS HD2 . 17132 1 720 . 1 1 60 60 HIS C C 13 175.548 0.4 . 1 . . . . . 70 HIS C . 17132 1 721 . 1 1 60 60 HIS CA C 13 56.150 0.40 . 1 . . . . . 70 HIS CA . 17132 1 722 . 1 1 60 60 HIS CB C 13 30.100 0.40 . 1 . . . . . 70 HIS CB . 17132 1 723 . 1 1 60 60 HIS CD2 C 13 120.014 0.40 . 1 . . . . . 70 HIS CD2 . 17132 1 724 . 1 1 60 60 HIS N N 15 121.691 0.40 . 1 . . . . . 70 HIS N . 17132 1 725 . 1 1 61 61 THR H H 1 7.983 0.04 . 1 . . . . . 71 THR H . 17132 1 726 . 1 1 61 61 THR HA H 1 4.194 0.04 . 1 . . . . . 71 THR HA . 17132 1 727 . 1 1 61 61 THR HB H 1 4.173 0.04 . 1 . . . . . 71 THR HB . 17132 1 728 . 1 1 61 61 THR HG21 H 1 1.137 0.04 . 1 . . . . . 71 THR HG2 . 17132 1 729 . 1 1 61 61 THR HG22 H 1 1.137 0.04 . 1 . . . . . 71 THR HG2 . 17132 1 730 . 1 1 61 61 THR HG23 H 1 1.137 0.04 . 1 . . . . . 71 THR HG2 . 17132 1 731 . 1 1 61 61 THR C C 13 174.368 0.4 . 1 . . . . . 71 THR C . 17132 1 732 . 1 1 61 61 THR CA C 13 62.340 0.40 . 1 . . . . . 71 THR CA . 17132 1 733 . 1 1 61 61 THR CB C 13 69.590 0.40 . 1 . . . . . 71 THR CB . 17132 1 734 . 1 1 61 61 THR CG2 C 13 21.690 0.40 . 1 . . . . . 71 THR CG2 . 17132 1 735 . 1 1 61 61 THR N N 15 114.974 0.40 . 1 . . . . . 71 THR N . 17132 1 736 . 1 1 62 62 ALA H H 1 8.190 0.04 . 1 . . . . . 72 ALA H . 17132 1 737 . 1 1 62 62 ALA HA H 1 4.241 0.04 . 1 . . . . . 72 ALA HA . 17132 1 738 . 1 1 62 62 ALA HB1 H 1 1.340 0.04 . 1 . . . . . 72 ALA HB . 17132 1 739 . 1 1 62 62 ALA HB2 H 1 1.340 0.04 . 1 . . . . . 72 ALA HB . 17132 1 740 . 1 1 62 62 ALA HB3 H 1 1.340 0.04 . 1 . . . . . 72 ALA HB . 17132 1 741 . 1 1 62 62 ALA C C 13 177.287 0.4 . 1 . . . . . 72 ALA C . 17132 1 742 . 1 1 62 62 ALA CA C 13 52.750 0.40 . 1 . . . . . 72 ALA CA . 17132 1 743 . 1 1 62 62 ALA CB C 13 19.330 0.40 . 1 . . . . . 72 ALA CB . 17132 1 744 . 1 1 62 62 ALA N N 15 125.618 0.40 . 1 . . . . . 72 ALA N . 17132 1 745 . 1 1 63 63 ASN H H 1 8.219 0.04 . 1 . . . . . 73 ASN H . 17132 1 746 . 1 1 63 63 ASN HA H 1 4.627 0.04 . 1 . . . . . 73 ASN HA . 17132 1 747 . 1 1 63 63 ASN HB2 H 1 2.772 0.04 . 2 . . . . . 73 ASN HB2 . 17132 1 748 . 1 1 63 63 ASN HB3 H 1 2.648 0.04 . 2 . . . . . 73 ASN HB3 . 17132 1 749 . 1 1 63 63 ASN C C 13 174.679 0.4 . 1 . . . . . 73 ASN C . 17132 1 750 . 1 1 63 63 ASN CA C 13 53.010 0.40 . 1 . . . . . 73 ASN CA . 17132 1 751 . 1 1 63 63 ASN CB C 13 38.880 0.40 . 1 . . . . . 73 ASN CB . 17132 1 752 . 1 1 63 63 ASN N N 15 117.045 0.40 . 1 . . . . . 73 ASN N . 17132 1 753 . 1 1 64 64 LEU H H 1 7.944 0.04 . 1 . . . . . 74 LEU H . 17132 1 754 . 1 1 64 64 LEU HA H 1 4.516 0.04 . 1 . . . . . 74 LEU HA . 17132 1 755 . 1 1 64 64 LEU HB2 H 1 1.530 0.04 . 2 . . . . . 74 LEU HB2 . 17132 1 756 . 1 1 64 64 LEU HB3 H 1 1.450 0.04 . 2 . . . . . 74 LEU HB3 . 17132 1 757 . 1 1 64 64 LEU HD11 H 1 0.870 0.04 . 1 . . . . . 74 LEU HD1 . 17132 1 758 . 1 1 64 64 LEU HD12 H 1 0.870 0.04 . 1 . . . . . 74 LEU HD1 . 17132 1 759 . 1 1 64 64 LEU HD13 H 1 0.870 0.04 . 1 . . . . . 74 LEU HD1 . 17132 1 760 . 1 1 64 64 LEU HD21 H 1 0.830 0.04 . 1 . . . . . 74 LEU HD2 . 17132 1 761 . 1 1 64 64 LEU HD22 H 1 0.830 0.04 . 1 . . . . . 74 LEU HD2 . 17132 1 762 . 1 1 64 64 LEU HD23 H 1 0.830 0.04 . 1 . . . . . 74 LEU HD2 . 17132 1 763 . 1 1 64 64 LEU HG H 1 1.587 0.04 . 1 . . . . . 74 LEU HG . 17132 1 764 . 1 1 64 64 LEU CA C 13 53.060 0.40 . 1 . . . . . 74 LEU CA . 17132 1 765 . 1 1 64 64 LEU CB C 13 41.420 0.40 . 1 . . . . . 74 LEU CB . 17132 1 766 . 1 1 64 64 LEU CD1 C 13 25.220 0.40 . 1 . . . . . 74 LEU CD1 . 17132 1 767 . 1 1 64 64 LEU CD2 C 13 23.360 0.40 . 1 . . . . . 74 LEU CD2 . 17132 1 768 . 1 1 64 64 LEU CG C 13 26.770 0.40 . 1 . . . . . 74 LEU CG . 17132 1 769 . 1 1 64 64 LEU N N 15 123.289 0.40 . 1 . . . . . 74 LEU N . 17132 1 770 . 1 1 65 65 PRO HA H 1 4.314 0.04 . 1 . . . . . 75 PRO HA . 17132 1 771 . 1 1 65 65 PRO HB2 H 1 2.199 0.04 . 2 . . . . . 75 PRO HB2 . 17132 1 772 . 1 1 65 65 PRO HB3 H 1 1.754 0.04 . 2 . . . . . 75 PRO HB3 . 17132 1 773 . 1 1 65 65 PRO HD2 H 1 3.736 0.04 . 2 . . . . . 75 PRO HD2 . 17132 1 774 . 1 1 65 65 PRO HD3 H 1 3.563 0.04 . 2 . . . . . 75 PRO HD3 . 17132 1 775 . 1 1 65 65 PRO HG2 H 1 1.937 0.04 . 2 . . . . . 75 PRO HG2 . 17132 1 776 . 1 1 65 65 PRO HG3 H 1 1.937 0.04 . 2 . . . . . 75 PRO HG3 . 17132 1 777 . 1 1 65 65 PRO C C 13 176.595 0.4 . 1 . . . . . 75 PRO C . 17132 1 778 . 1 1 65 65 PRO CA C 13 63.200 0.40 . 1 . . . . . 75 PRO CA . 17132 1 779 . 1 1 65 65 PRO CB C 13 32.080 0.40 . 1 . . . . . 75 PRO CB . 17132 1 780 . 1 1 65 65 PRO CD C 13 50.440 0.40 . 1 . . . . . 75 PRO CD . 17132 1 781 . 1 1 65 65 PRO CG C 13 27.300 0.40 . 1 . . . . . 75 PRO CG . 17132 1 782 . 1 1 66 66 HIS H H 1 8.318 0.04 . 1 . . . . . 76 HIS H . 17132 1 783 . 1 1 66 66 HIS HA H 1 4.539 0.04 . 1 . . . . . 76 HIS HA . 17132 1 784 . 1 1 66 66 HIS HB2 H 1 3.016 0.04 . 2 . . . . . 76 HIS HB2 . 17132 1 785 . 1 1 66 66 HIS HB3 H 1 3.016 0.04 . 2 . . . . . 76 HIS HB3 . 17132 1 786 . 1 1 66 66 HIS HD2 H 1 6.926 0.04 . 2 . . . . . 76 HIS HD2 . 17132 1 787 . 1 1 66 66 HIS C C 13 174.714 0.4 . 1 . . . . . 76 HIS C . 17132 1 788 . 1 1 66 66 HIS CA C 13 55.610 0.40 . 1 . . . . . 76 HIS CA . 17132 1 789 . 1 1 66 66 HIS CB C 13 30.060 0.40 . 1 . . . . . 76 HIS CB . 17132 1 790 . 1 1 66 66 HIS CD2 C 13 119.853 0.40 . 1 . . . . . 76 HIS CD2 . 17132 1 791 . 1 1 66 66 HIS N N 15 118.986 0.40 . 1 . . . . . 76 HIS N . 17132 1 792 . 1 1 67 67 VAL H H 1 7.880 0.04 . 1 . . . . . 77 VAL H . 17132 1 793 . 1 1 67 67 VAL HA H 1 3.991 0.04 . 1 . . . . . 77 VAL HA . 17132 1 794 . 1 1 67 67 VAL HB H 1 1.887 0.04 . 1 . . . . . 77 VAL HB . 17132 1 795 . 1 1 67 67 VAL C C 13 175.541 0.4 . 1 . . . . . 77 VAL C . 17132 1 796 . 1 1 67 67 VAL CA C 13 61.900 0.40 . 1 . . . . . 77 VAL CA . 17132 1 797 . 1 1 67 67 VAL CB C 13 32.950 0.40 . 1 . . . . . 77 VAL CB . 17132 1 798 . 1 1 67 67 VAL N N 15 121.365 0.40 . 1 . . . . . 77 VAL N . 17132 1 799 . 1 1 68 68 PHE H H 1 8.360 0.04 . 1 . . . . . 78 PHE H . 17132 1 800 . 1 1 68 68 PHE HA H 1 4.555 0.04 . 1 . . . . . 78 PHE HA . 17132 1 801 . 1 1 68 68 PHE HB2 H 1 3.041 0.04 . 2 . . . . . 78 PHE HB2 . 17132 1 802 . 1 1 68 68 PHE HB3 H 1 2.957 0.04 . 2 . . . . . 78 PHE HB3 . 17132 1 803 . 1 1 68 68 PHE HD1 H 1 7.209 0.04 . 2 . . . . . 78 PHE HD1 . 17132 1 804 . 1 1 68 68 PHE HD2 H 1 7.209 0.04 . 2 . . . . . 78 PHE HD2 . 17132 1 805 . 1 1 68 68 PHE HE1 H 1 7.284 0.04 . 2 . . . . . 78 PHE HE1 . 17132 1 806 . 1 1 68 68 PHE HE2 H 1 7.284 0.04 . 2 . . . . . 78 PHE HE2 . 17132 1 807 . 1 1 68 68 PHE HZ H 1 7.216 0.04 . 1 . . . . . 78 PHE HZ . 17132 1 808 . 1 1 68 68 PHE C C 13 175.407 0.4 . 1 . . . . . 78 PHE C . 17132 1 809 . 1 1 68 68 PHE CA C 13 57.670 0.40 . 1 . . . . . 78 PHE CA . 17132 1 810 . 1 1 68 68 PHE CB C 13 39.350 0.40 . 1 . . . . . 78 PHE CB . 17132 1 811 . 1 1 68 68 PHE CD1 C 13 132.252 0.40 . 1 . . . . . 78 PHE CD1 . 17132 1 812 . 1 1 68 68 PHE CE1 C 13 132.091 0.40 . 1 . . . . . 78 PHE CE1 . 17132 1 813 . 1 1 68 68 PHE CZ C 13 129.621 0.40 . 1 . . . . . 78 PHE CZ . 17132 1 814 . 1 1 68 68 PHE N N 15 124.098 0.40 . 1 . . . . . 78 PHE N . 17132 1 815 . 1 1 69 69 ASN H H 1 8.346 0.04 . 1 . . . . . 79 ASN H . 17132 1 816 . 1 1 69 69 ASN HA H 1 4.574 0.04 . 1 . . . . . 79 ASN HA . 17132 1 817 . 1 1 69 69 ASN HB2 H 1 2.722 0.04 . 2 . . . . . 79 ASN HB2 . 17132 1 818 . 1 1 69 69 ASN HB3 H 1 2.592 0.04 . 2 . . . . . 79 ASN HB3 . 17132 1 819 . 1 1 69 69 ASN C C 13 174.834 0.4 . 1 . . . . . 79 ASN C . 17132 1 820 . 1 1 69 69 ASN CA C 13 52.930 0.40 . 1 . . . . . 79 ASN CA . 17132 1 821 . 1 1 69 69 ASN CB C 13 38.770 0.40 . 1 . . . . . 79 ASN CB . 17132 1 822 . 1 1 69 69 ASN N N 15 121.457 0.40 . 1 . . . . . 79 ASN N . 17132 1 823 . 1 1 70 70 GLU H H 1 8.290 0.04 . 1 . . . . . 80 GLU H . 17132 1 824 . 1 1 70 70 GLU HA H 1 4.117 0.04 . 1 . . . . . 80 GLU HA . 17132 1 825 . 1 1 70 70 GLU HB2 H 1 2.020 0.04 . 2 . . . . . 80 GLU HB2 . 17132 1 826 . 1 1 70 70 GLU HB3 H 1 1.894 0.04 . 2 . . . . . 80 GLU HB3 . 17132 1 827 . 1 1 70 70 GLU HG2 H 1 2.182 0.04 . 2 . . . . . 80 GLU HG2 . 17132 1 828 . 1 1 70 70 GLU HG3 H 1 2.182 0.04 . 2 . . . . . 80 GLU HG3 . 17132 1 829 . 1 1 70 70 GLU C C 13 176.814 0.4 . 1 . . . . . 80 GLU C . 17132 1 830 . 1 1 70 70 GLU CA C 13 57.240 0.40 . 1 . . . . . 80 GLU CA . 17132 1 831 . 1 1 70 70 GLU CB C 13 29.660 0.40 . 1 . . . . . 80 GLU CB . 17132 1 832 . 1 1 70 70 GLU CG C 13 36.300 0.40 . 1 . . . . . 80 GLU CG . 17132 1 833 . 1 1 70 70 GLU N N 15 121.060 0.40 . 1 . . . . . 80 GLU N . 17132 1 834 . 1 1 71 71 GLY H H 1 8.334 0.04 . 1 . . . . . 81 GLY H . 17132 1 835 . 1 1 71 71 GLY HA2 H 1 3.889 0.04 . 2 . . . . . 81 GLY HA2 . 17132 1 836 . 1 1 71 71 GLY HA3 H 1 3.889 0.04 . 2 . . . . . 81 GLY HA3 . 17132 1 837 . 1 1 71 71 GLY C C 13 174.205 0.4 . 1 . . . . . 81 GLY C . 17132 1 838 . 1 1 71 71 GLY CA C 13 45.530 0.40 . 1 . . . . . 81 GLY CA . 17132 1 839 . 1 1 71 71 GLY N N 15 109.442 0.40 . 1 . . . . . 81 GLY N . 17132 1 840 . 1 1 72 72 ARG H H 1 8.046 0.04 . 1 . . . . . 82 ARG H . 17132 1 841 . 1 1 72 72 ARG HA H 1 4.322 0.04 . 1 . . . . . 82 ARG HA . 17132 1 842 . 1 1 72 72 ARG HB2 H 1 1.857 0.04 . 2 . . . . . 82 ARG HB2 . 17132 1 843 . 1 1 72 72 ARG HB3 H 1 1.703 0.04 . 2 . . . . . 82 ARG HB3 . 17132 1 844 . 1 1 72 72 ARG HD2 H 1 3.118 0.04 . 2 . . . . . 82 ARG HD2 . 17132 1 845 . 1 1 72 72 ARG HD3 H 1 3.118 0.04 . 2 . . . . . 82 ARG HD3 . 17132 1 846 . 1 1 72 72 ARG HG2 H 1 1.565 0.04 . 2 . . . . . 82 ARG HG2 . 17132 1 847 . 1 1 72 72 ARG HG3 H 1 1.565 0.04 . 2 . . . . . 82 ARG HG3 . 17132 1 848 . 1 1 72 72 ARG C C 13 175.845 0.4 . 1 . . . . . 82 ARG C . 17132 1 849 . 1 1 72 72 ARG CA C 13 55.900 0.40 . 1 . . . . . 82 ARG CA . 17132 1 850 . 1 1 72 72 ARG CB C 13 30.860 0.40 . 1 . . . . . 82 ARG CB . 17132 1 851 . 1 1 72 72 ARG CD C 13 43.310 0.40 . 1 . . . . . 82 ARG CD . 17132 1 852 . 1 1 72 72 ARG CG C 13 27.040 0.40 . 1 . . . . . 82 ARG CG . 17132 1 853 . 1 1 72 72 ARG N N 15 120.309 0.40 . 1 . . . . . 82 ARG N . 17132 1 854 . 1 1 73 73 GLY H H 1 8.019 0.04 . 1 . . . . . 83 GLY H . 17132 1 855 . 1 1 73 73 GLY HA2 H 1 3.686 0.04 . 2 . . . . . 83 GLY HA2 . 17132 1 856 . 1 1 73 73 GLY HA3 H 1 3.686 0.04 . 2 . . . . . 83 GLY HA3 . 17132 1 857 . 1 1 73 73 GLY CA C 13 46.070 0.40 . 1 . . . . . 83 GLY CA . 17132 1 858 . 1 1 73 73 GLY N N 15 115.974 0.40 . 1 . . . . . 83 GLY N . 17132 1 stop_ save_