################################### # 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 34000 _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 . _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 2 '3D CBCA(CO)NH' . . . 34000 1 3 '3D HNCACB' . . . 34000 1 4 '3D HNCO' . . . 34000 1 5 '3D HN(CA)CO' . . . 34000 1 6 '3D HCCH-TOCSY' . . . 34000 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 2 $software_2 . . 34000 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA H H 1 8.595 0.020 . . . . . A 1 ALA H . 34000 1 2 . 1 1 1 1 ALA HA H 1 4.440 0.020 . . . . . A 1 ALA HA . 34000 1 3 . 1 1 1 1 ALA HB1 H 1 1.432 0.020 . . . . . A 1 ALA HB1 . 34000 1 4 . 1 1 1 1 ALA HB2 H 1 1.432 0.020 . . . . . A 1 ALA HB2 . 34000 1 5 . 1 1 1 1 ALA HB3 H 1 1.432 0.020 . . . . . A 1 ALA HB3 . 34000 1 6 . 1 1 1 1 ALA CA C 13 52.531 0.200 . . . . . A 1 ALA CA . 34000 1 7 . 1 1 1 1 ALA CB C 13 19.563 0.200 . . . . . A 1 ALA CB . 34000 1 8 . 1 1 1 1 ALA N N 15 123.720 0.200 . . . . . A 1 ALA N . 34000 1 9 . 1 1 2 2 TYR H H 1 8.382 0.020 . . . . . A 2 TYR H . 34000 1 10 . 1 1 2 2 TYR HA H 1 4.654 0.020 . . . . . A 2 TYR HA . 34000 1 11 . 1 1 2 2 TYR HB2 H 1 3.110 0.020 . . . . . A 2 TYR HB2 . 34000 1 12 . 1 1 2 2 TYR HB3 H 1 3.042 0.020 . . . . . A 2 TYR HB3 . 34000 1 13 . 1 1 2 2 TYR HD1 H 1 7.211 0.020 . . . . . A 2 TYR HD1 . 34000 1 14 . 1 1 2 2 TYR HD2 H 1 7.211 0.020 . . . . . A 2 TYR HD2 . 34000 1 15 . 1 1 2 2 TYR HE1 H 1 6.926 0.020 . . . . . A 2 TYR HE1 . 34000 1 16 . 1 1 2 2 TYR HE2 H 1 6.926 0.020 . . . . . A 2 TYR HE2 . 34000 1 17 . 1 1 2 2 TYR CB C 13 39.047 0.200 . . . . . A 2 TYR CB . 34000 1 18 . 1 1 2 2 TYR CD1 C 13 133.287 0.200 . . . . . A 2 TYR CD1 . 34000 1 19 . 1 1 2 2 TYR CE1 C 13 118.306 0.200 . . . . . A 2 TYR CE1 . 34000 1 20 . 1 1 2 2 TYR N N 15 120.589 0.200 . . . . . A 2 TYR N . 34000 1 21 . 1 1 3 3 ARG H H 1 8.210 0.020 . . . . . A 3 ARG H . 34000 1 22 . 1 1 3 3 ARG HA H 1 4.672 0.020 . . . . . A 3 ARG HA . 34000 1 23 . 1 1 3 3 ARG HB2 H 1 1.873 0.020 . . . . . A 3 ARG HB2 . 34000 1 24 . 1 1 3 3 ARG HB3 H 1 1.743 0.020 . . . . . A 3 ARG HB3 . 34000 1 25 . 1 1 3 3 ARG HG2 H 1 1.676 0.020 . . . . . A 3 ARG HG2 . 34000 1 26 . 1 1 3 3 ARG HG3 H 1 1.676 0.020 . . . . . A 3 ARG HG3 . 34000 1 27 . 1 1 3 3 ARG HD2 H 1 3.282 0.020 . . . . . A 3 ARG HD2 . 34000 1 28 . 1 1 3 3 ARG HD3 H 1 3.282 0.020 . . . . . A 3 ARG HD3 . 34000 1 29 . 1 1 3 3 ARG HE H 1 7.264 0.020 . . . . . A 3 ARG HE . 34000 1 30 . 1 1 3 3 ARG CB C 13 30.894 0.200 . . . . . A 3 ARG CB . 34000 1 31 . 1 1 3 3 ARG CG C 13 26.826 0.200 . . . . . A 3 ARG CG . 34000 1 32 . 1 1 3 3 ARG N N 15 125.712 0.200 . . . . . A 3 ARG N . 34000 1 33 . 1 1 3 3 ARG NE N 15 85.204 0.200 . . . . . A 3 ARG NE . 34000 1 34 . 1 1 4 4 PRO HA H 1 4.468 0.020 . . . . . A 4 PRO HA . 34000 1 35 . 1 1 4 4 PRO HB2 H 1 2.426 0.020 . . . . . A 4 PRO HB2 . 34000 1 36 . 1 1 4 4 PRO HB3 H 1 2.057 0.020 . . . . . A 4 PRO HB3 . 34000 1 37 . 1 1 4 4 PRO HG2 H 1 2.108 0.020 . . . . . A 4 PRO HG2 . 34000 1 38 . 1 1 4 4 PRO HG3 H 1 2.083 0.020 . . . . . A 4 PRO HG3 . 34000 1 39 . 1 1 4 4 PRO HD2 H 1 3.691 0.020 . . . . . A 4 PRO HD2 . 34000 1 40 . 1 1 4 4 PRO HD3 H 1 3.637 0.020 . . . . . A 4 PRO HD3 . 34000 1 41 . 1 1 4 4 PRO CB C 13 32.180 0.200 . . . . . A 4 PRO CB . 34000 1 42 . 1 1 4 4 PRO CG C 13 27.373 0.200 . . . . . A 4 PRO CG . 34000 1 43 . 1 1 4 4 PRO CD C 13 50.688 0.200 . . . . . A 4 PRO CD . 34000 1 44 . 1 1 5 5 SER H H 1 8.316 0.020 . . . . . A 5 SER H . 34000 1 45 . 1 1 5 5 SER HA H 1 4.540 0.020 . . . . . A 5 SER HA . 34000 1 46 . 1 1 5 5 SER HB2 H 1 4.016 0.020 . . . . . A 5 SER HB2 . 34000 1 47 . 1 1 5 5 SER HB3 H 1 4.016 0.020 . . . . . A 5 SER HB3 . 34000 1 48 . 1 1 5 5 SER CB C 13 63.986 0.200 . . . . . A 5 SER CB . 34000 1 49 . 1 1 5 5 SER N N 15 115.341 0.200 . . . . . A 5 SER N . 34000 1 50 . 1 1 6 6 GLU H H 1 8.577 0.020 . . . . . A 6 GLU H . 34000 1 51 . 1 1 6 6 GLU HA H 1 4.571 0.020 . . . . . A 6 GLU HA . 34000 1 52 . 1 1 6 6 GLU HB2 H 1 2.251 0.020 . . . . . A 6 GLU HB2 . 34000 1 53 . 1 1 6 6 GLU HB3 H 1 2.116 0.020 . . . . . A 6 GLU HB3 . 34000 1 54 . 1 1 6 6 GLU HG2 H 1 2.445 0.020 . . . . . A 6 GLU HG2 . 34000 1 55 . 1 1 6 6 GLU HG3 H 1 2.445 0.020 . . . . . A 6 GLU HG3 . 34000 1 56 . 1 1 6 6 GLU CB C 13 29.757 0.200 . . . . . A 6 GLU CB . 34000 1 57 . 1 1 6 6 GLU CG C 13 34.793 0.200 . . . . . A 6 GLU CG . 34000 1 58 . 1 1 6 6 GLU N N 15 122.320 0.200 . . . . . A 6 GLU N . 34000 1 59 . 1 1 7 7 THR H H 1 8.030 0.020 . . . . . A 7 THR H . 34000 1 60 . 1 1 7 7 THR HA H 1 4.636 0.020 . . . . . A 7 THR HA . 34000 1 61 . 1 1 7 7 THR HB H 1 4.633 0.020 . . . . . A 7 THR HB . 34000 1 62 . 1 1 7 7 THR HG21 H 1 1.047 0.020 . . . . . A 7 THR HG21 . 34000 1 63 . 1 1 7 7 THR HG22 H 1 1.047 0.020 . . . . . A 7 THR HG22 . 34000 1 64 . 1 1 7 7 THR HG23 H 1 1.047 0.020 . . . . . A 7 THR HG23 . 34000 1 65 . 1 1 7 7 THR CG2 C 13 22.521 0.200 . . . . . A 7 THR CG2 . 34000 1 66 . 1 1 7 7 THR N N 15 113.924 0.200 . . . . . A 7 THR N . 34000 1 67 . 1 1 8 8 LEU H H 1 8.730 0.020 . . . . . A 8 LEU H . 34000 1 68 . 1 1 8 8 LEU HA H 1 4.726 0.020 . . . . . A 8 LEU HA . 34000 1 69 . 1 1 8 8 LEU HB2 H 1 1.679 0.020 . . . . . A 8 LEU HB2 . 34000 1 70 . 1 1 8 8 LEU HB3 H 1 1.425 0.020 . . . . . A 8 LEU HB3 . 34000 1 71 . 1 1 8 8 LEU HG H 1 1.278 0.020 . . . . . A 8 LEU HG . 34000 1 72 . 1 1 8 8 LEU HD11 H 1 0.955 0.020 . . . . . A 8 LEU HD11 . 34000 1 73 . 1 1 8 8 LEU HD12 H 1 0.955 0.020 . . . . . A 8 LEU HD12 . 34000 1 74 . 1 1 8 8 LEU HD13 H 1 0.955 0.020 . . . . . A 8 LEU HD13 . 34000 1 75 . 1 1 8 8 LEU HD21 H 1 0.924 0.020 . . . . . A 8 LEU HD21 . 34000 1 76 . 1 1 8 8 LEU HD22 H 1 0.924 0.020 . . . . . A 8 LEU HD22 . 34000 1 77 . 1 1 8 8 LEU HD23 H 1 0.924 0.020 . . . . . A 8 LEU HD23 . 34000 1 78 . 1 1 8 8 LEU CB C 13 44.980 0.200 . . . . . A 8 LEU CB . 34000 1 79 . 1 1 8 8 LEU CG C 13 26.835 0.200 . . . . . A 8 LEU CG . 34000 1 80 . 1 1 8 8 LEU CD1 C 13 24.264 0.200 . . . . . A 8 LEU CD1 . 34000 1 81 . 1 1 8 8 LEU CD2 C 13 26.395 0.200 . . . . . A 8 LEU CD2 . 34000 1 82 . 1 1 8 8 LEU N N 15 124.961 0.200 . . . . . A 8 LEU N . 34000 1 83 . 1 1 9 9 CYS H H 1 8.516 0.020 . . . . . A 9 CYS H . 34000 1 84 . 1 1 9 9 CYS HA H 1 5.025 0.020 . . . . . A 9 CYS HA . 34000 1 85 . 1 1 9 9 CYS HB2 H 1 3.299 0.020 . . . . . A 9 CYS HB2 . 34000 1 86 . 1 1 9 9 CYS HB3 H 1 2.957 0.020 . . . . . A 9 CYS HB3 . 34000 1 87 . 1 1 9 9 CYS CB C 13 48.559 0.200 . . . . . A 9 CYS CB . 34000 1 88 . 1 1 9 9 CYS N N 15 119.519 0.200 . . . . . A 9 CYS N . 34000 1 89 . 1 1 10 10 GLY H H 1 9.135 0.020 . . . . . A 10 GLY H . 34000 1 90 . 1 1 10 10 GLY HA2 H 1 4.019 0.020 . . . . . A 10 GLY HA2 . 34000 1 91 . 1 1 10 10 GLY HA3 H 1 3.925 0.020 . . . . . A 10 GLY HA3 . 34000 1 92 . 1 1 10 10 GLY CA C 13 47.065 0.200 . . . . . A 10 GLY CA . 34000 1 93 . 1 1 10 10 GLY N N 15 109.292 0.200 . . . . . A 10 GLY N . 34000 1 94 . 1 1 11 11 GLY H H 1 9.059 0.020 . . . . . A 11 GLY H . 34000 1 95 . 1 1 11 11 GLY HA2 H 1 3.951 0.020 . . . . . A 11 GLY HA2 . 34000 1 96 . 1 1 11 11 GLY HA3 H 1 3.833 0.020 . . . . . A 11 GLY HA3 . 34000 1 97 . 1 1 11 11 GLY CA C 13 47.420 0.200 . . . . . A 11 GLY CA . 34000 1 98 . 1 1 11 11 GLY N N 15 113.677 0.200 . . . . . A 11 GLY N . 34000 1 99 . 1 1 12 12 GLU H H 1 8.843 0.020 . . . . . A 12 GLU H . 34000 1 100 . 1 1 12 12 GLU HA H 1 4.174 0.020 . . . . . A 12 GLU HA . 34000 1 101 . 1 1 12 12 GLU HB2 H 1 2.381 0.020 . . . . . A 12 GLU HB2 . 34000 1 102 . 1 1 12 12 GLU HB3 H 1 2.082 0.020 . . . . . A 12 GLU HB3 . 34000 1 103 . 1 1 12 12 GLU HG2 H 1 2.715 0.020 . . . . . A 12 GLU HG2 . 34000 1 104 . 1 1 12 12 GLU HG3 H 1 2.593 0.020 . . . . . A 12 GLU HG3 . 34000 1 105 . 1 1 12 12 GLU CA C 13 60.178 0.200 . . . . . A 12 GLU CA . 34000 1 106 . 1 1 12 12 GLU CB C 13 29.096 0.200 . . . . . A 12 GLU CB . 34000 1 107 . 1 1 12 12 GLU CG C 13 36.292 0.200 . . . . . A 12 GLU CG . 34000 1 108 . 1 1 12 12 GLU N N 15 121.798 0.200 . . . . . A 12 GLU N . 34000 1 109 . 1 1 13 13 LEU H H 1 7.218 0.020 . . . . . A 13 LEU H . 34000 1 110 . 1 1 13 13 LEU HA H 1 3.909 0.020 . . . . . A 13 LEU HA . 34000 1 111 . 1 1 13 13 LEU HB2 H 1 2.190 0.020 . . . . . A 13 LEU HB2 . 34000 1 112 . 1 1 13 13 LEU HB3 H 1 1.155 0.020 . . . . . A 13 LEU HB3 . 34000 1 113 . 1 1 13 13 LEU HG H 1 1.395 0.020 . . . . . A 13 LEU HG . 34000 1 114 . 1 1 13 13 LEU HD11 H 1 0.963 0.020 . . . . . A 13 LEU HD11 . 34000 1 115 . 1 1 13 13 LEU HD12 H 1 0.963 0.020 . . . . . A 13 LEU HD12 . 34000 1 116 . 1 1 13 13 LEU HD13 H 1 0.963 0.020 . . . . . A 13 LEU HD13 . 34000 1 117 . 1 1 13 13 LEU HD21 H 1 0.759 0.020 . . . . . A 13 LEU HD21 . 34000 1 118 . 1 1 13 13 LEU HD22 H 1 0.759 0.020 . . . . . A 13 LEU HD22 . 34000 1 119 . 1 1 13 13 LEU HD23 H 1 0.759 0.020 . . . . . A 13 LEU HD23 . 34000 1 120 . 1 1 13 13 LEU CA C 13 58.395 0.200 . . . . . A 13 LEU CA . 34000 1 121 . 1 1 13 13 LEU CB C 13 40.246 0.200 . . . . . A 13 LEU CB . 34000 1 122 . 1 1 13 13 LEU CG C 13 27.503 0.200 . . . . . A 13 LEU CG . 34000 1 123 . 1 1 13 13 LEU CD1 C 13 25.798 0.200 . . . . . A 13 LEU CD1 . 34000 1 124 . 1 1 13 13 LEU CD2 C 13 22.670 0.200 . . . . . A 13 LEU CD2 . 34000 1 125 . 1 1 13 13 LEU N N 15 124.052 0.200 . . . . . A 13 LEU N . 34000 1 126 . 1 1 14 14 VAL H H 1 7.568 0.020 . . . . . A 14 VAL H . 34000 1 127 . 1 1 14 14 VAL HA H 1 3.462 0.020 . . . . . A 14 VAL HA . 34000 1 128 . 1 1 14 14 VAL HB H 1 2.268 0.020 . . . . . A 14 VAL HB . 34000 1 129 . 1 1 14 14 VAL HG11 H 1 1.246 0.020 . . . . . A 14 VAL HG11 . 34000 1 130 . 1 1 14 14 VAL HG12 H 1 1.246 0.020 . . . . . A 14 VAL HG12 . 34000 1 131 . 1 1 14 14 VAL HG13 H 1 1.246 0.020 . . . . . A 14 VAL HG13 . 34000 1 132 . 1 1 14 14 VAL HG21 H 1 1.226 0.020 . . . . . A 14 VAL HG21 . 34000 1 133 . 1 1 14 14 VAL HG22 H 1 1.226 0.020 . . . . . A 14 VAL HG22 . 34000 1 134 . 1 1 14 14 VAL HG23 H 1 1.226 0.020 . . . . . A 14 VAL HG23 . 34000 1 135 . 1 1 14 14 VAL CA C 13 67.599 0.200 . . . . . A 14 VAL CA . 34000 1 136 . 1 1 14 14 VAL CB C 13 31.703 0.200 . . . . . A 14 VAL CB . 34000 1 137 . 1 1 14 14 VAL CG1 C 13 23.011 0.200 . . . . . A 14 VAL CG1 . 34000 1 138 . 1 1 14 14 VAL CG2 C 13 21.627 0.200 . . . . . A 14 VAL CG2 . 34000 1 139 . 1 1 14 14 VAL N N 15 118.963 0.200 . . . . . A 14 VAL N . 34000 1 140 . 1 1 15 15 ASP H H 1 8.745 0.020 . . . . . A 15 ASP H . 34000 1 141 . 1 1 15 15 ASP HA H 1 4.666 0.020 . . . . . A 15 ASP HA . 34000 1 142 . 1 1 15 15 ASP HB2 H 1 3.018 0.020 . . . . . A 15 ASP HB2 . 34000 1 143 . 1 1 15 15 ASP HB3 H 1 2.659 0.020 . . . . . A 15 ASP HB3 . 34000 1 144 . 1 1 15 15 ASP CB C 13 42.053 0.200 . . . . . A 15 ASP CB . 34000 1 145 . 1 1 15 15 ASP N N 15 118.243 0.200 . . . . . A 15 ASP N . 34000 1 146 . 1 1 16 16 THR H H 1 7.986 0.020 . . . . . A 16 THR H . 34000 1 147 . 1 1 16 16 THR HA H 1 4.092 0.020 . . . . . A 16 THR HA . 34000 1 148 . 1 1 16 16 THR HB H 1 4.329 0.020 . . . . . A 16 THR HB . 34000 1 149 . 1 1 16 16 THR HG1 H 1 5.166 0.020 . . . . . A 16 THR HG1 . 34000 1 150 . 1 1 16 16 THR HG21 H 1 1.332 0.020 . . . . . A 16 THR HG21 . 34000 1 151 . 1 1 16 16 THR HG22 H 1 1.332 0.020 . . . . . A 16 THR HG22 . 34000 1 152 . 1 1 16 16 THR HG23 H 1 1.332 0.020 . . . . . A 16 THR HG23 . 34000 1 153 . 1 1 16 16 THR CA C 13 68.410 0.200 . . . . . A 16 THR CA . 34000 1 154 . 1 1 16 16 THR CB C 13 68.006 0.200 . . . . . A 16 THR CB . 34000 1 155 . 1 1 16 16 THR CG2 C 13 21.694 0.200 . . . . . A 16 THR CG2 . 34000 1 156 . 1 1 16 16 THR N N 15 116.896 0.200 . . . . . A 16 THR N . 34000 1 157 . 1 1 17 17 LEU H H 1 8.331 0.020 . . . . . A 17 LEU H . 34000 1 158 . 1 1 17 17 LEU HA H 1 3.739 0.020 . . . . . A 17 LEU HA . 34000 1 159 . 1 1 17 17 LEU HB2 H 1 1.158 0.020 . . . . . A 17 LEU HB2 . 34000 1 160 . 1 1 17 17 LEU HB3 H 1 0.234 0.020 . . . . . A 17 LEU HB3 . 34000 1 161 . 1 1 17 17 LEU HG H 1 1.133 0.020 . . . . . A 17 LEU HG . 34000 1 162 . 1 1 17 17 LEU HD11 H 1 0.430 0.020 . . . . . A 17 LEU HD11 . 34000 1 163 . 1 1 17 17 LEU HD12 H 1 0.430 0.020 . . . . . A 17 LEU HD12 . 34000 1 164 . 1 1 17 17 LEU HD13 H 1 0.430 0.020 . . . . . A 17 LEU HD13 . 34000 1 165 . 1 1 17 17 LEU HD21 H 1 0.580 0.020 . . . . . A 17 LEU HD21 . 34000 1 166 . 1 1 17 17 LEU HD22 H 1 0.580 0.020 . . . . . A 17 LEU HD22 . 34000 1 167 . 1 1 17 17 LEU HD23 H 1 0.580 0.020 . . . . . A 17 LEU HD23 . 34000 1 168 . 1 1 17 17 LEU CA C 13 58.760 0.200 . . . . . A 17 LEU CA . 34000 1 169 . 1 1 17 17 LEU CB C 13 41.340 0.200 . . . . . A 17 LEU CB . 34000 1 170 . 1 1 17 17 LEU CG C 13 27.182 0.200 . . . . . A 17 LEU CG . 34000 1 171 . 1 1 17 17 LEU CD1 C 13 25.533 0.200 . . . . . A 17 LEU CD1 . 34000 1 172 . 1 1 17 17 LEU CD2 C 13 23.962 0.200 . . . . . A 17 LEU CD2 . 34000 1 173 . 1 1 17 17 LEU N N 15 124.667 0.200 . . . . . A 17 LEU N . 34000 1 174 . 1 1 18 18 GLN H H 1 8.322 0.020 . . . . . A 18 GLN H . 34000 1 175 . 1 1 18 18 GLN HA H 1 4.322 0.020 . . . . . A 18 GLN HA . 34000 1 176 . 1 1 18 18 GLN HB2 H 1 2.510 0.020 . . . . . A 18 GLN HB2 . 34000 1 177 . 1 1 18 18 GLN HB3 H 1 2.449 0.020 . . . . . A 18 GLN HB3 . 34000 1 178 . 1 1 18 18 GLN HG2 H 1 2.885 0.020 . . . . . A 18 GLN HG2 . 34000 1 179 . 1 1 18 18 GLN HG3 H 1 2.702 0.020 . . . . . A 18 GLN HG3 . 34000 1 180 . 1 1 18 18 GLN HE21 H 1 7.430 0.020 . . . . . A 18 GLN HE21 . 34000 1 181 . 1 1 18 18 GLN HE22 H 1 7.084 0.020 . . . . . A 18 GLN HE22 . 34000 1 182 . 1 1 18 18 GLN CA C 13 59.111 0.200 . . . . . A 18 GLN CA . 34000 1 183 . 1 1 18 18 GLN CB C 13 28.705 0.200 . . . . . A 18 GLN CB . 34000 1 184 . 1 1 18 18 GLN CG C 13 34.934 0.200 . . . . . A 18 GLN CG . 34000 1 185 . 1 1 18 18 GLN N N 15 116.695 0.200 . . . . . A 18 GLN N . 34000 1 186 . 1 1 18 18 GLN NE2 N 15 111.170 0.200 . . . . . A 18 GLN NE2 . 34000 1 187 . 1 1 19 19 PHE H H 1 7.788 0.020 . . . . . A 19 PHE H . 34000 1 188 . 1 1 19 19 PHE HA H 1 3.979 0.020 . . . . . A 19 PHE HA . 34000 1 189 . 1 1 19 19 PHE HB2 H 1 2.708 0.020 . . . . . A 19 PHE HB2 . 34000 1 190 . 1 1 19 19 PHE HB3 H 1 2.398 0.020 . . . . . A 19 PHE HB3 . 34000 1 191 . 1 1 19 19 PHE HD1 H 1 5.717 0.020 . . . . . A 19 PHE HD1 . 34000 1 192 . 1 1 19 19 PHE HD2 H 1 5.717 0.020 . . . . . A 19 PHE HD2 . 34000 1 193 . 1 1 19 19 PHE HE1 H 1 6.517 0.020 . . . . . A 19 PHE HE1 . 34000 1 194 . 1 1 19 19 PHE HE2 H 1 6.517 0.020 . . . . . A 19 PHE HE2 . 34000 1 195 . 1 1 19 19 PHE HZ H 1 6.635 0.020 . . . . . A 19 PHE HZ . 34000 1 196 . 1 1 19 19 PHE CA C 13 59.500 0.200 . . . . . A 19 PHE CA . 34000 1 197 . 1 1 19 19 PHE CB C 13 40.745 0.200 . . . . . A 19 PHE CB . 34000 1 198 . 1 1 19 19 PHE CD1 C 13 131.098 0.200 . . . . . A 19 PHE CD1 . 34000 1 199 . 1 1 19 19 PHE CE1 C 13 129.117 0.200 . . . . . A 19 PHE CE1 . 34000 1 200 . 1 1 19 19 PHE CZ C 13 127.636 0.200 . . . . . A 19 PHE CZ . 34000 1 201 . 1 1 19 19 PHE N N 15 119.933 0.200 . . . . . A 19 PHE N . 34000 1 202 . 1 1 20 20 VAL H H 1 8.673 0.020 . . . . . A 20 VAL H . 34000 1 203 . 1 1 20 20 VAL HA H 1 3.261 0.020 . . . . . A 20 VAL HA . 34000 1 204 . 1 1 20 20 VAL HB H 1 1.977 0.020 . . . . . A 20 VAL HB . 34000 1 205 . 1 1 20 20 VAL HG11 H 1 1.072 0.020 . . . . . A 20 VAL HG11 . 34000 1 206 . 1 1 20 20 VAL HG12 H 1 1.072 0.020 . . . . . A 20 VAL HG12 . 34000 1 207 . 1 1 20 20 VAL HG13 H 1 1.072 0.020 . . . . . A 20 VAL HG13 . 34000 1 208 . 1 1 20 20 VAL HG21 H 1 0.895 0.020 . . . . . A 20 VAL HG21 . 34000 1 209 . 1 1 20 20 VAL HG22 H 1 0.895 0.020 . . . . . A 20 VAL HG22 . 34000 1 210 . 1 1 20 20 VAL HG23 H 1 0.895 0.020 . . . . . A 20 VAL HG23 . 34000 1 211 . 1 1 20 20 VAL CA C 13 65.638 0.200 . . . . . A 20 VAL CA . 34000 1 212 . 1 1 20 20 VAL CB C 13 32.098 0.200 . . . . . A 20 VAL CB . 34000 1 213 . 1 1 20 20 VAL CG1 C 13 24.117 0.200 . . . . . A 20 VAL CG1 . 34000 1 214 . 1 1 20 20 VAL CG2 C 13 21.175 0.200 . . . . . A 20 VAL CG2 . 34000 1 215 . 1 1 20 20 VAL N N 15 117.857 0.200 . . . . . A 20 VAL N . 34000 1 216 . 1 1 21 21 CYS H H 1 8.560 0.020 . . . . . A 21 CYS H . 34000 1 217 . 1 1 21 21 CYS HA H 1 4.884 0.020 . . . . . A 21 CYS HA . 34000 1 218 . 1 1 21 21 CYS HB2 H 1 3.452 0.020 . . . . . A 21 CYS HB2 . 34000 1 219 . 1 1 21 21 CYS HB3 H 1 2.984 0.020 . . . . . A 21 CYS HB3 . 34000 1 220 . 1 1 21 21 CYS CB C 13 36.424 0.200 . . . . . A 21 CYS CB . 34000 1 221 . 1 1 21 21 CYS N N 15 114.616 0.200 . . . . . A 21 CYS N . 34000 1 222 . 1 1 22 22 GLY H H 1 7.950 0.020 . . . . . A 22 GLY H . 34000 1 223 . 1 1 22 22 GLY HA2 H 1 4.264 0.020 . . . . . A 22 GLY HA2 . 34000 1 224 . 1 1 22 22 GLY HA3 H 1 4.022 0.020 . . . . . A 22 GLY HA3 . 34000 1 225 . 1 1 22 22 GLY CA C 13 47.158 0.200 . . . . . A 22 GLY CA . 34000 1 226 . 1 1 22 22 GLY N N 15 110.353 0.200 . . . . . A 22 GLY N . 34000 1 227 . 1 1 23 23 ASP H H 1 9.420 0.020 . . . . . A 23 ASP H . 34000 1 228 . 1 1 23 23 ASP HA H 1 4.811 0.020 . . . . . A 23 ASP HA . 34000 1 229 . 1 1 23 23 ASP HB2 H 1 3.046 0.020 . . . . . A 23 ASP HB2 . 34000 1 230 . 1 1 23 23 ASP HB3 H 1 2.644 0.020 . . . . . A 23 ASP HB3 . 34000 1 231 . 1 1 23 23 ASP CB C 13 41.196 0.200 . . . . . A 23 ASP CB . 34000 1 232 . 1 1 23 23 ASP N N 15 126.511 0.200 . . . . . A 23 ASP N . 34000 1 233 . 1 1 24 24 ARG H H 1 8.327 0.020 . . . . . A 24 ARG H . 34000 1 234 . 1 1 24 24 ARG HA H 1 4.141 0.020 . . . . . A 24 ARG HA . 34000 1 235 . 1 1 24 24 ARG HB2 H 1 2.292 0.020 . . . . . A 24 ARG HB2 . 34000 1 236 . 1 1 24 24 ARG HB3 H 1 2.240 0.020 . . . . . A 24 ARG HB3 . 34000 1 237 . 1 1 24 24 ARG HG2 H 1 2.051 0.020 . . . . . A 24 ARG HG2 . 34000 1 238 . 1 1 24 24 ARG HG3 H 1 1.861 0.020 . . . . . A 24 ARG HG3 . 34000 1 239 . 1 1 24 24 ARG HD2 H 1 3.479 0.020 . . . . . A 24 ARG HD2 . 34000 1 240 . 1 1 24 24 ARG HD3 H 1 3.479 0.020 . . . . . A 24 ARG HD3 . 34000 1 241 . 1 1 24 24 ARG HE H 1 7.034 0.020 . . . . . A 24 ARG HE . 34000 1 242 . 1 1 24 24 ARG CA C 13 58.764 0.200 . . . . . A 24 ARG CA . 34000 1 243 . 1 1 24 24 ARG CB C 13 31.683 0.200 . . . . . A 24 ARG CB . 34000 1 244 . 1 1 24 24 ARG CG C 13 27.280 0.200 . . . . . A 24 ARG CG . 34000 1 245 . 1 1 24 24 ARG CD C 13 44.814 0.200 . . . . . A 24 ARG CD . 34000 1 246 . 1 1 24 24 ARG N N 15 118.413 0.200 . . . . . A 24 ARG N . 34000 1 247 . 1 1 24 24 ARG NE N 15 83.888 0.200 . . . . . A 24 ARG NE . 34000 1 248 . 1 1 25 25 GLY H H 1 7.293 0.020 . . . . . A 25 GLY H . 34000 1 249 . 1 1 25 25 GLY HA2 H 1 4.195 0.020 . . . . . A 25 GLY HA2 . 34000 1 250 . 1 1 25 25 GLY HA3 H 1 3.855 0.020 . . . . . A 25 GLY HA3 . 34000 1 251 . 1 1 25 25 GLY CA C 13 44.323 0.200 . . . . . A 25 GLY CA . 34000 1 252 . 1 1 25 25 GLY N N 15 102.232 0.200 . . . . . A 25 GLY N . 34000 1 253 . 1 1 26 26 PHE H H 1 7.618 0.020 . . . . . A 26 PHE H . 34000 1 254 . 1 1 26 26 PHE HA H 1 5.355 0.020 . . . . . A 26 PHE HA . 34000 1 255 . 1 1 26 26 PHE HB2 H 1 3.434 0.020 . . . . . A 26 PHE HB2 . 34000 1 256 . 1 1 26 26 PHE HB3 H 1 2.948 0.020 . . . . . A 26 PHE HB3 . 34000 1 257 . 1 1 26 26 PHE HD1 H 1 6.732 0.020 . . . . . A 26 PHE HD1 . 34000 1 258 . 1 1 26 26 PHE HD2 H 1 6.732 0.020 . . . . . A 26 PHE HD2 . 34000 1 259 . 1 1 26 26 PHE HE1 H 1 7.092 0.020 . . . . . A 26 PHE HE1 . 34000 1 260 . 1 1 26 26 PHE HE2 H 1 7.092 0.020 . . . . . A 26 PHE HE2 . 34000 1 261 . 1 1 26 26 PHE HZ H 1 7.342 0.020 . . . . . A 26 PHE HZ . 34000 1 262 . 1 1 26 26 PHE CA C 13 56.178 0.200 . . . . . A 26 PHE CA . 34000 1 263 . 1 1 26 26 PHE CB C 13 42.496 0.200 . . . . . A 26 PHE CB . 34000 1 264 . 1 1 26 26 PHE CD1 C 13 132.798 0.200 . . . . . A 26 PHE CD1 . 34000 1 265 . 1 1 26 26 PHE CE1 C 13 131.115 0.200 . . . . . A 26 PHE CE1 . 34000 1 266 . 1 1 26 26 PHE CZ C 13 129.658 0.200 . . . . . A 26 PHE CZ . 34000 1 267 . 1 1 26 26 PHE N N 15 112.587 0.200 . . . . . A 26 PHE N . 34000 1 268 . 1 1 27 27 TYR H H 1 8.820 0.020 . . . . . A 27 TYR H . 34000 1 269 . 1 1 27 27 TYR HA H 1 5.062 0.020 . . . . . A 27 TYR HA . 34000 1 270 . 1 1 27 27 TYR HB2 H 1 3.589 0.020 . . . . . A 27 TYR HB2 . 34000 1 271 . 1 1 27 27 TYR HB3 H 1 3.104 0.020 . . . . . A 27 TYR HB3 . 34000 1 272 . 1 1 27 27 TYR HD1 H 1 7.244 0.020 . . . . . A 27 TYR HD1 . 34000 1 273 . 1 1 27 27 TYR HD2 H 1 7.244 0.020 . . . . . A 27 TYR HD2 . 34000 1 274 . 1 1 27 27 TYR HE1 H 1 6.913 0.020 . . . . . A 27 TYR HE1 . 34000 1 275 . 1 1 27 27 TYR HE2 H 1 6.913 0.020 . . . . . A 27 TYR HE2 . 34000 1 276 . 1 1 27 27 TYR CB C 13 41.739 0.200 . . . . . A 27 TYR CB . 34000 1 277 . 1 1 27 27 TYR CD1 C 13 133.347 0.200 . . . . . A 27 TYR CD1 . 34000 1 278 . 1 1 27 27 TYR CE1 C 13 118.198 0.200 . . . . . A 27 TYR CE1 . 34000 1 279 . 1 1 27 27 TYR N N 15 118.781 0.200 . . . . . A 27 TYR N . 34000 1 280 . 1 1 28 28 PHE H H 1 8.917 0.020 . . . . . A 28 PHE H . 34000 1 281 . 1 1 28 28 PHE HA H 1 4.939 0.020 . . . . . A 28 PHE HA . 34000 1 282 . 1 1 28 28 PHE HB2 H 1 3.433 0.020 . . . . . A 28 PHE HB2 . 34000 1 283 . 1 1 28 28 PHE HB3 H 1 3.219 0.020 . . . . . A 28 PHE HB3 . 34000 1 284 . 1 1 28 28 PHE HD1 H 1 7.409 0.020 . . . . . A 28 PHE HD1 . 34000 1 285 . 1 1 28 28 PHE HD2 H 1 7.409 0.020 . . . . . A 28 PHE HD2 . 34000 1 286 . 1 1 28 28 PHE HE1 H 1 7.378 0.020 . . . . . A 28 PHE HE1 . 34000 1 287 . 1 1 28 28 PHE HE2 H 1 7.378 0.020 . . . . . A 28 PHE HE2 . 34000 1 288 . 1 1 28 28 PHE HZ H 1 7.437 0.020 . . . . . A 28 PHE HZ . 34000 1 289 . 1 1 28 28 PHE CB C 13 40.526 0.200 . . . . . A 28 PHE CB . 34000 1 290 . 1 1 28 28 PHE CD1 C 13 131.421 0.200 . . . . . A 28 PHE CD1 . 34000 1 291 . 1 1 28 28 PHE CE1 C 13 131.344 0.200 . . . . . A 28 PHE CE1 . 34000 1 292 . 1 1 28 28 PHE CZ C 13 129.747 0.200 . . . . . A 28 PHE CZ . 34000 1 293 . 1 1 28 28 PHE N N 15 115.565 0.200 . . . . . A 28 PHE N . 34000 1 294 . 1 1 29 29 SER H H 1 8.143 0.020 . . . . . A 29 SER H . 34000 1 295 . 1 1 29 29 SER HA H 1 5.236 0.020 . . . . . A 29 SER HA . 34000 1 296 . 1 1 29 29 SER HB2 H 1 4.043 0.020 . . . . . A 29 SER HB2 . 34000 1 297 . 1 1 29 29 SER HB3 H 1 3.999 0.020 . . . . . A 29 SER HB3 . 34000 1 298 . 1 1 29 29 SER CB C 13 65.148 0.200 . . . . . A 29 SER CB . 34000 1 299 . 1 1 29 29 SER N N 15 113.604 0.200 . . . . . A 29 SER N . 34000 1 300 . 1 1 30 30 ARG H H 1 8.766 0.020 . . . . . A 30 ARG H . 34000 1 301 . 1 1 30 30 ARG HA H 1 4.654 0.020 . . . . . A 30 ARG HA . 34000 1 302 . 1 1 30 30 ARG HB2 H 1 1.850 0.020 . . . . . A 30 ARG HB2 . 34000 1 303 . 1 1 30 30 ARG HB3 H 1 1.671 0.020 . . . . . A 30 ARG HB3 . 34000 1 304 . 1 1 30 30 ARG HG2 H 1 1.512 0.020 . . . . . A 30 ARG HG2 . 34000 1 305 . 1 1 30 30 ARG HG3 H 1 1.512 0.020 . . . . . A 30 ARG HG3 . 34000 1 306 . 1 1 30 30 ARG HD2 H 1 3.004 0.020 . . . . . A 30 ARG HD2 . 34000 1 307 . 1 1 30 30 ARG HD3 H 1 2.962 0.020 . . . . . A 30 ARG HD3 . 34000 1 308 . 1 1 30 30 ARG HE H 1 6.897 0.020 . . . . . A 30 ARG HE . 34000 1 309 . 1 1 30 30 ARG CB C 13 30.676 0.200 . . . . . A 30 ARG CB . 34000 1 310 . 1 1 30 30 ARG CG C 13 26.789 0.200 . . . . . A 30 ARG CG . 34000 1 311 . 1 1 30 30 ARG CD C 13 43.517 0.200 . . . . . A 30 ARG CD . 34000 1 312 . 1 1 30 30 ARG N N 15 122.371 0.200 . . . . . A 30 ARG N . 34000 1 313 . 1 1 30 30 ARG NE N 15 84.305 0.200 . . . . . A 30 ARG NE . 34000 1 314 . 1 1 31 31 PRO HA H 1 4.368 0.020 . . . . . A 31 PRO HA . 34000 1 315 . 1 1 31 31 PRO HB2 H 1 2.233 0.020 . . . . . A 31 PRO HB2 . 34000 1 316 . 1 1 31 31 PRO HB3 H 1 1.931 0.020 . . . . . A 31 PRO HB3 . 34000 1 317 . 1 1 31 31 PRO HG2 H 1 2.029 0.020 . . . . . A 31 PRO HG2 . 34000 1 318 . 1 1 31 31 PRO HG3 H 1 1.908 0.020 . . . . . A 31 PRO HG3 . 34000 1 319 . 1 1 31 31 PRO HD2 H 1 3.530 0.020 . . . . . A 31 PRO HD2 . 34000 1 320 . 1 1 31 31 PRO HD3 H 1 3.622 0.020 . . . . . A 31 PRO HD3 . 34000 1 321 . 1 1 31 31 PRO CA C 13 63.038 0.200 . . . . . A 31 PRO CA . 34000 1 322 . 1 1 31 31 PRO CB C 13 32.153 0.200 . . . . . A 31 PRO CB . 34000 1 323 . 1 1 31 31 PRO CG C 13 27.477 0.200 . . . . . A 31 PRO CG . 34000 1 324 . 1 1 31 31 PRO CD C 13 50.487 0.200 . . . . . A 31 PRO CD . 34000 1 325 . 1 1 32 32 ALA H H 1 8.484 0.020 . . . . . A 32 ALA H . 34000 1 326 . 1 1 32 32 ALA HA H 1 4.292 0.020 . . . . . A 32 ALA HA . 34000 1 327 . 1 1 32 32 ALA HB1 H 1 1.470 0.020 . . . . . A 32 ALA HB1 . 34000 1 328 . 1 1 32 32 ALA HB2 H 1 1.470 0.020 . . . . . A 32 ALA HB2 . 34000 1 329 . 1 1 32 32 ALA HB3 H 1 1.470 0.020 . . . . . A 32 ALA HB3 . 34000 1 330 . 1 1 32 32 ALA CA C 13 53.061 0.200 . . . . . A 32 ALA CA . 34000 1 331 . 1 1 32 32 ALA CB C 13 19.655 0.200 . . . . . A 32 ALA CB . 34000 1 332 . 1 1 32 32 ALA N N 15 123.890 0.200 . . . . . A 32 ALA N . 34000 1 333 . 1 1 33 33 SER H H 1 8.316 0.020 . . . . . A 33 SER H . 34000 1 334 . 1 1 33 33 SER HA H 1 4.637 0.020 . . . . . A 33 SER HA . 34000 1 335 . 1 1 33 33 SER HB2 H 1 4.120 0.020 . . . . . A 33 SER HB2 . 34000 1 336 . 1 1 33 33 SER HB3 H 1 3.945 0.020 . . . . . A 33 SER HB3 . 34000 1 337 . 1 1 33 33 SER CB C 13 64.674 0.200 . . . . . A 33 SER CB . 34000 1 338 . 1 1 33 33 SER N N 15 114.090 0.200 . . . . . A 33 SER N . 34000 1 339 . 1 1 34 34 ARG H H 1 8.520 0.020 . . . . . A 34 ARG H . 34000 1 340 . 1 1 34 34 ARG HA H 1 4.356 0.020 . . . . . A 34 ARG HA . 34000 1 341 . 1 1 34 34 ARG HB2 H 1 2.008 0.020 . . . . . A 34 ARG HB2 . 34000 1 342 . 1 1 34 34 ARG HB3 H 1 1.927 0.020 . . . . . A 34 ARG HB3 . 34000 1 343 . 1 1 34 34 ARG HG2 H 1 1.751 0.020 . . . . . A 34 ARG HG2 . 34000 1 344 . 1 1 34 34 ARG HG3 H 1 1.751 0.020 . . . . . A 34 ARG HG3 . 34000 1 345 . 1 1 34 34 ARG HD2 H 1 3.306 0.020 . . . . . A 34 ARG HD2 . 34000 1 346 . 1 1 34 34 ARG HD3 H 1 3.306 0.020 . . . . . A 34 ARG HD3 . 34000 1 347 . 1 1 34 34 ARG HE H 1 7.346 0.020 . . . . . A 34 ARG HE . 34000 1 348 . 1 1 34 34 ARG CA C 13 57.520 0.200 . . . . . A 34 ARG CA . 34000 1 349 . 1 1 34 34 ARG CB C 13 30.407 0.200 . . . . . A 34 ARG CB . 34000 1 350 . 1 1 34 34 ARG CG C 13 27.312 0.200 . . . . . A 34 ARG CG . 34000 1 351 . 1 1 34 34 ARG CD C 13 43.417 0.200 . . . . . A 34 ARG CD . 34000 1 352 . 1 1 34 34 ARG N N 15 120.702 0.200 . . . . . A 34 ARG N . 34000 1 353 . 1 1 34 34 ARG NE N 15 84.822 0.200 . . . . . A 34 ARG NE . 34000 1 354 . 1 1 35 35 VAL H H 1 7.902 0.020 . . . . . A 35 VAL H . 34000 1 355 . 1 1 35 35 VAL HA H 1 4.294 0.020 . . . . . A 35 VAL HA . 34000 1 356 . 1 1 35 35 VAL HB H 1 2.255 0.020 . . . . . A 35 VAL HB . 34000 1 357 . 1 1 35 35 VAL HG11 H 1 1.005 0.020 . . . . . A 35 VAL HG11 . 34000 1 358 . 1 1 35 35 VAL HG12 H 1 1.005 0.020 . . . . . A 35 VAL HG12 . 34000 1 359 . 1 1 35 35 VAL HG13 H 1 1.005 0.020 . . . . . A 35 VAL HG13 . 34000 1 360 . 1 1 35 35 VAL HG21 H 1 0.980 0.020 . . . . . A 35 VAL HG21 . 34000 1 361 . 1 1 35 35 VAL HG22 H 1 0.980 0.020 . . . . . A 35 VAL HG22 . 34000 1 362 . 1 1 35 35 VAL HG23 H 1 0.980 0.020 . . . . . A 35 VAL HG23 . 34000 1 363 . 1 1 35 35 VAL CA C 13 62.402 0.200 . . . . . A 35 VAL CA . 34000 1 364 . 1 1 35 35 VAL CB C 13 32.561 0.200 . . . . . A 35 VAL CB . 34000 1 365 . 1 1 35 35 VAL CG1 C 13 21.325 0.200 . . . . . A 35 VAL CG1 . 34000 1 366 . 1 1 35 35 VAL CG2 C 13 20.187 0.200 . . . . . A 35 VAL CG2 . 34000 1 367 . 1 1 35 35 VAL N N 15 115.422 0.200 . . . . . A 35 VAL N . 34000 1 368 . 1 1 36 36 SER H H 1 7.970 0.020 . . . . . A 36 SER H . 34000 1 369 . 1 1 36 36 SER HA H 1 4.606 0.020 . . . . . A 36 SER HA . 34000 1 370 . 1 1 36 36 SER HB2 H 1 3.967 0.020 . . . . . A 36 SER HB2 . 34000 1 371 . 1 1 36 36 SER HB3 H 1 3.941 0.020 . . . . . A 36 SER HB3 . 34000 1 372 . 1 1 36 36 SER CB C 13 64.211 0.200 . . . . . A 36 SER CB . 34000 1 373 . 1 1 36 36 SER N N 15 117.245 0.200 . . . . . A 36 SER N . 34000 1 374 . 1 1 37 37 ARG H H 1 8.428 0.020 . . . . . A 37 ARG H . 34000 1 375 . 1 1 37 37 ARG HA H 1 4.429 0.020 . . . . . A 37 ARG HA . 34000 1 376 . 1 1 37 37 ARG HB2 H 1 2.040 0.020 . . . . . A 37 ARG HB2 . 34000 1 377 . 1 1 37 37 ARG HB3 H 1 1.901 0.020 . . . . . A 37 ARG HB3 . 34000 1 378 . 1 1 37 37 ARG HG2 H 1 1.748 0.020 . . . . . A 37 ARG HG2 . 34000 1 379 . 1 1 37 37 ARG HG3 H 1 1.748 0.020 . . . . . A 37 ARG HG3 . 34000 1 380 . 1 1 37 37 ARG HD2 H 1 3.300 0.020 . . . . . A 37 ARG HD2 . 34000 1 381 . 1 1 37 37 ARG HD3 H 1 3.300 0.020 . . . . . A 37 ARG HD3 . 34000 1 382 . 1 1 37 37 ARG CA C 13 56.710 0.200 . . . . . A 37 ARG CA . 34000 1 383 . 1 1 37 37 ARG CB C 13 30.432 0.200 . . . . . A 37 ARG CB . 34000 1 384 . 1 1 37 37 ARG CG C 13 27.264 0.200 . . . . . A 37 ARG CG . 34000 1 385 . 1 1 37 37 ARG CD C 13 43.495 0.200 . . . . . A 37 ARG CD . 34000 1 386 . 1 1 37 37 ARG N N 15 122.100 0.200 . . . . . A 37 ARG N . 34000 1 387 . 1 1 38 38 ARG H H 1 8.239 0.020 . . . . . A 38 ARG H . 34000 1 388 . 1 1 38 38 ARG HA H 1 4.513 0.020 . . . . . A 38 ARG HA . 34000 1 389 . 1 1 38 38 ARG HB2 H 1 1.970 0.020 . . . . . A 38 ARG HB2 . 34000 1 390 . 1 1 38 38 ARG HB3 H 1 1.854 0.020 . . . . . A 38 ARG HB3 . 34000 1 391 . 1 1 38 38 ARG HG2 H 1 1.733 0.020 . . . . . A 38 ARG HG2 . 34000 1 392 . 1 1 38 38 ARG HG3 H 1 1.733 0.020 . . . . . A 38 ARG HG3 . 34000 1 393 . 1 1 38 38 ARG HD2 H 1 3.302 0.020 . . . . . A 38 ARG HD2 . 34000 1 394 . 1 1 38 38 ARG HD3 H 1 3.302 0.020 . . . . . A 38 ARG HD3 . 34000 1 395 . 1 1 38 38 ARG HE H 1 7.304 0.020 . . . . . A 38 ARG HE . 34000 1 396 . 1 1 38 38 ARG CB C 13 31.085 0.200 . . . . . A 38 ARG CB . 34000 1 397 . 1 1 38 38 ARG CG C 13 27.209 0.200 . . . . . A 38 ARG CG . 34000 1 398 . 1 1 38 38 ARG CD C 13 43.398 0.200 . . . . . A 38 ARG CD . 34000 1 399 . 1 1 38 38 ARG N N 15 120.102 0.200 . . . . . A 38 ARG N . 34000 1 400 . 1 1 38 38 ARG NE N 15 84.747 0.200 . . . . . A 38 ARG NE . 34000 1 401 . 1 1 39 39 SER H H 1 8.447 0.020 . . . . . A 39 SER H . 34000 1 402 . 1 1 39 39 SER HA H 1 4.647 0.020 . . . . . A 39 SER HA . 34000 1 403 . 1 1 39 39 SER HB2 H 1 3.966 0.020 . . . . . A 39 SER HB2 . 34000 1 404 . 1 1 39 39 SER HB3 H 1 3.966 0.020 . . . . . A 39 SER HB3 . 34000 1 405 . 1 1 39 39 SER CB C 13 64.547 0.200 . . . . . A 39 SER CB . 34000 1 406 . 1 1 39 39 SER N N 15 118.088 0.200 . . . . . A 39 SER N . 34000 1 407 . 1 1 40 40 ARG H H 1 8.740 0.020 . . . . . A 40 ARG H . 34000 1 408 . 1 1 40 40 ARG HA H 1 4.663 0.020 . . . . . A 40 ARG HA . 34000 1 409 . 1 1 40 40 ARG HB2 H 1 2.034 0.020 . . . . . A 40 ARG HB2 . 34000 1 410 . 1 1 40 40 ARG HB3 H 1 1.861 0.020 . . . . . A 40 ARG HB3 . 34000 1 411 . 1 1 40 40 ARG HG2 H 1 1.772 0.020 . . . . . A 40 ARG HG2 . 34000 1 412 . 1 1 40 40 ARG HG3 H 1 1.772 0.020 . . . . . A 40 ARG HG3 . 34000 1 413 . 1 1 40 40 ARG HD2 H 1 3.262 0.020 . . . . . A 40 ARG HD2 . 34000 1 414 . 1 1 40 40 ARG HD3 H 1 3.262 0.020 . . . . . A 40 ARG HD3 . 34000 1 415 . 1 1 40 40 ARG HE H 1 7.564 0.020 . . . . . A 40 ARG HE . 34000 1 416 . 1 1 40 40 ARG CB C 13 32.194 0.200 . . . . . A 40 ARG CB . 34000 1 417 . 1 1 40 40 ARG CG C 13 27.274 0.200 . . . . . A 40 ARG CG . 34000 1 418 . 1 1 40 40 ARG CD C 13 43.599 0.200 . . . . . A 40 ARG CD . 34000 1 419 . 1 1 40 40 ARG N N 15 122.596 0.200 . . . . . A 40 ARG N . 34000 1 420 . 1 1 40 40 ARG NE N 15 84.938 0.200 . . . . . A 40 ARG NE . 34000 1 421 . 1 1 41 41 GLY H H 1 8.659 0.020 . . . . . A 41 GLY H . 34000 1 422 . 1 1 41 41 GLY HA2 H 1 4.704 0.020 . . . . . A 41 GLY HA2 . 34000 1 423 . 1 1 41 41 GLY HA3 H 1 4.304 0.020 . . . . . A 41 GLY HA3 . 34000 1 424 . 1 1 41 41 GLY CA C 13 45.338 0.200 . . . . . A 41 GLY CA . 34000 1 425 . 1 1 41 41 GLY N N 15 111.262 0.200 . . . . . A 41 GLY N . 34000 1 426 . 1 1 42 42 ILE H H 1 8.009 0.020 . . . . . A 42 ILE H . 34000 1 427 . 1 1 42 42 ILE HA H 1 3.676 0.020 . . . . . A 42 ILE HA . 34000 1 428 . 1 1 42 42 ILE HB H 1 0.637 0.020 . . . . . A 42 ILE HB . 34000 1 429 . 1 1 42 42 ILE HG12 H 1 1.051 0.020 . . . . . A 42 ILE HG12 . 34000 1 430 . 1 1 42 42 ILE HG13 H 1 0.901 0.020 . . . . . A 42 ILE HG13 . 34000 1 431 . 1 1 42 42 ILE HG21 H 1 0.837 0.020 . . . . . A 42 ILE HG21 . 34000 1 432 . 1 1 42 42 ILE HG22 H 1 0.837 0.020 . . . . . A 42 ILE HG22 . 34000 1 433 . 1 1 42 42 ILE HG23 H 1 0.837 0.020 . . . . . A 42 ILE HG23 . 34000 1 434 . 1 1 42 42 ILE HD11 H 1 0.521 0.020 . . . . . A 42 ILE HD11 . 34000 1 435 . 1 1 42 42 ILE HD12 H 1 0.521 0.020 . . . . . A 42 ILE HD12 . 34000 1 436 . 1 1 42 42 ILE HD13 H 1 0.521 0.020 . . . . . A 42 ILE HD13 . 34000 1 437 . 1 1 42 42 ILE CA C 13 63.061 0.200 . . . . . A 42 ILE CA . 34000 1 438 . 1 1 42 42 ILE CB C 13 37.245 0.200 . . . . . A 42 ILE CB . 34000 1 439 . 1 1 42 42 ILE CG1 C 13 29.719 0.200 . . . . . A 42 ILE CG1 . 34000 1 440 . 1 1 42 42 ILE CG2 C 13 18.225 0.200 . . . . . A 42 ILE CG2 . 34000 1 441 . 1 1 42 42 ILE CD1 C 13 15.435 0.200 . . . . . A 42 ILE CD1 . 34000 1 442 . 1 1 42 42 ILE N N 15 121.410 0.200 . . . . . A 42 ILE N . 34000 1 443 . 1 1 43 43 VAL H H 1 8.317 0.020 . . . . . A 43 VAL H . 34000 1 444 . 1 1 43 43 VAL HA H 1 3.491 0.020 . . . . . A 43 VAL HA . 34000 1 445 . 1 1 43 43 VAL HB H 1 1.957 0.020 . . . . . A 43 VAL HB . 34000 1 446 . 1 1 43 43 VAL HG11 H 1 1.042 0.020 . . . . . A 43 VAL HG11 . 34000 1 447 . 1 1 43 43 VAL HG12 H 1 1.042 0.020 . . . . . A 43 VAL HG12 . 34000 1 448 . 1 1 43 43 VAL HG13 H 1 1.042 0.020 . . . . . A 43 VAL HG13 . 34000 1 449 . 1 1 43 43 VAL HG21 H 1 0.667 0.020 . . . . . A 43 VAL HG21 . 34000 1 450 . 1 1 43 43 VAL HG22 H 1 0.667 0.020 . . . . . A 43 VAL HG22 . 34000 1 451 . 1 1 43 43 VAL HG23 H 1 0.667 0.020 . . . . . A 43 VAL HG23 . 34000 1 452 . 1 1 43 43 VAL CA C 13 66.685 0.200 . . . . . A 43 VAL CA . 34000 1 453 . 1 1 43 43 VAL CB C 13 31.260 0.200 . . . . . A 43 VAL CB . 34000 1 454 . 1 1 43 43 VAL CG1 C 13 22.985 0.200 . . . . . A 43 VAL CG1 . 34000 1 455 . 1 1 43 43 VAL CG2 C 13 21.462 0.200 . . . . . A 43 VAL CG2 . 34000 1 456 . 1 1 43 43 VAL N N 15 123.909 0.200 . . . . . A 43 VAL N . 34000 1 457 . 1 1 44 44 GLU H H 1 8.109 0.020 . . . . . A 44 GLU H . 34000 1 458 . 1 1 44 44 GLU HA H 1 3.984 0.020 . . . . . A 44 GLU HA . 34000 1 459 . 1 1 44 44 GLU HB2 H 1 2.338 0.020 . . . . . A 44 GLU HB2 . 34000 1 460 . 1 1 44 44 GLU HB3 H 1 2.168 0.020 . . . . . A 44 GLU HB3 . 34000 1 461 . 1 1 44 44 GLU HG2 H 1 2.525 0.020 . . . . . A 44 GLU HG2 . 34000 1 462 . 1 1 44 44 GLU HG3 H 1 2.415 0.020 . . . . . A 44 GLU HG3 . 34000 1 463 . 1 1 44 44 GLU CA C 13 60.210 0.200 . . . . . A 44 GLU CA . 34000 1 464 . 1 1 44 44 GLU CB C 13 29.298 0.200 . . . . . A 44 GLU CB . 34000 1 465 . 1 1 44 44 GLU CG C 13 37.037 0.200 . . . . . A 44 GLU CG . 34000 1 466 . 1 1 44 44 GLU N N 15 121.323 0.200 . . . . . A 44 GLU N . 34000 1 467 . 1 1 45 45 GLU H H 1 7.563 0.020 . . . . . A 45 GLU H . 34000 1 468 . 1 1 45 45 GLU HA H 1 4.337 0.020 . . . . . A 45 GLU HA . 34000 1 469 . 1 1 45 45 GLU HB2 H 1 2.191 0.020 . . . . . A 45 GLU HB2 . 34000 1 470 . 1 1 45 45 GLU HB3 H 1 2.009 0.020 . . . . . A 45 GLU HB3 . 34000 1 471 . 1 1 45 45 GLU HG2 H 1 2.625 0.020 . . . . . A 45 GLU HG2 . 34000 1 472 . 1 1 45 45 GLU HG3 H 1 2.336 0.020 . . . . . A 45 GLU HG3 . 34000 1 473 . 1 1 45 45 GLU CA C 13 58.786 0.200 . . . . . A 45 GLU CA . 34000 1 474 . 1 1 45 45 GLU CB C 13 31.536 0.200 . . . . . A 45 GLU CB . 34000 1 475 . 1 1 45 45 GLU CG C 13 36.454 0.200 . . . . . A 45 GLU CG . 34000 1 476 . 1 1 45 45 GLU N N 15 113.330 0.200 . . . . . A 45 GLU N . 34000 1 477 . 1 1 46 46 CYS H H 1 8.207 0.020 . . . . . A 46 CYS H . 34000 1 478 . 1 1 46 46 CYS HA H 1 5.160 0.020 . . . . . A 46 CYS HA . 34000 1 479 . 1 1 46 46 CYS HB2 H 1 3.243 0.020 . . . . . A 46 CYS HB2 . 34000 1 480 . 1 1 46 46 CYS HB3 H 1 2.905 0.020 . . . . . A 46 CYS HB3 . 34000 1 481 . 1 1 46 46 CYS CB C 13 45.135 0.200 . . . . . A 46 CYS CB . 34000 1 482 . 1 1 46 46 CYS N N 15 109.840 0.200 . . . . . A 46 CYS N . 34000 1 483 . 1 1 47 47 CYS H H 1 8.250 0.020 . . . . . A 47 CYS H . 34000 1 484 . 1 1 47 47 CYS HA H 1 4.813 0.020 . . . . . A 47 CYS HA . 34000 1 485 . 1 1 47 47 CYS HB2 H 1 3.750 0.020 . . . . . A 47 CYS HB2 . 34000 1 486 . 1 1 47 47 CYS HB3 H 1 3.230 0.020 . . . . . A 47 CYS HB3 . 34000 1 487 . 1 1 47 47 CYS CB C 13 39.148 0.200 . . . . . A 47 CYS CB . 34000 1 488 . 1 1 47 47 CYS N N 15 117.334 0.200 . . . . . A 47 CYS N . 34000 1 489 . 1 1 48 48 PHE H H 1 7.906 0.020 . . . . . A 48 PHE H . 34000 1 490 . 1 1 48 48 PHE HA H 1 4.781 0.020 . . . . . A 48 PHE HA . 34000 1 491 . 1 1 48 48 PHE HB2 H 1 3.582 0.020 . . . . . A 48 PHE HB2 . 34000 1 492 . 1 1 48 48 PHE HB3 H 1 3.365 0.020 . . . . . A 48 PHE HB3 . 34000 1 493 . 1 1 48 48 PHE HD1 H 1 7.300 0.020 . . . . . A 48 PHE HD1 . 34000 1 494 . 1 1 48 48 PHE HD2 H 1 7.300 0.020 . . . . . A 48 PHE HD2 . 34000 1 495 . 1 1 48 48 PHE HE1 H 1 7.437 0.020 . . . . . A 48 PHE HE1 . 34000 1 496 . 1 1 48 48 PHE HE2 H 1 7.437 0.020 . . . . . A 48 PHE HE2 . 34000 1 497 . 1 1 48 48 PHE HZ H 1 7.365 0.020 . . . . . A 48 PHE HZ . 34000 1 498 . 1 1 48 48 PHE CB C 13 37.957 0.200 . . . . . A 48 PHE CB . 34000 1 499 . 1 1 48 48 PHE CD1 C 13 130.642 0.200 . . . . . A 48 PHE CD1 . 34000 1 500 . 1 1 48 48 PHE CE1 C 13 131.629 0.200 . . . . . A 48 PHE CE1 . 34000 1 501 . 1 1 48 48 PHE CZ C 13 129.873 0.200 . . . . . A 48 PHE CZ . 34000 1 502 . 1 1 48 48 PHE N N 15 116.949 0.200 . . . . . A 48 PHE N . 34000 1 503 . 1 1 49 49 ARG H H 1 7.555 0.020 . . . . . A 49 ARG H . 34000 1 504 . 1 1 49 49 ARG HA H 1 4.486 0.020 . . . . . A 49 ARG HA . 34000 1 505 . 1 1 49 49 ARG HB2 H 1 2.048 0.020 . . . . . A 49 ARG HB2 . 34000 1 506 . 1 1 49 49 ARG HB3 H 1 1.934 0.020 . . . . . A 49 ARG HB3 . 34000 1 507 . 1 1 49 49 ARG HG2 H 1 1.840 0.020 . . . . . A 49 ARG HG2 . 34000 1 508 . 1 1 49 49 ARG HG3 H 1 1.760 0.020 . . . . . A 49 ARG HG3 . 34000 1 509 . 1 1 49 49 ARG HD2 H 1 3.361 0.020 . . . . . A 49 ARG HD2 . 34000 1 510 . 1 1 49 49 ARG HD3 H 1 3.361 0.020 . . . . . A 49 ARG HD3 . 34000 1 511 . 1 1 49 49 ARG HE H 1 7.401 0.020 . . . . . A 49 ARG HE . 34000 1 512 . 1 1 49 49 ARG CB C 13 32.462 0.200 . . . . . A 49 ARG CB . 34000 1 513 . 1 1 49 49 ARG CG C 13 26.953 0.200 . . . . . A 49 ARG CG . 34000 1 514 . 1 1 49 49 ARG CD C 13 44.012 0.200 . . . . . A 49 ARG CD . 34000 1 515 . 1 1 49 49 ARG N N 15 117.888 0.200 . . . . . A 49 ARG N . 34000 1 516 . 1 1 49 49 ARG NE N 15 85.784 0.200 . . . . . A 49 ARG NE . 34000 1 517 . 1 1 50 50 SER H H 1 7.775 0.020 . . . . . A 50 SER H . 34000 1 518 . 1 1 50 50 SER HA H 1 4.910 0.020 . . . . . A 50 SER HA . 34000 1 519 . 1 1 50 50 SER HB2 H 1 3.933 0.020 . . . . . A 50 SER HB2 . 34000 1 520 . 1 1 50 50 SER HB3 H 1 3.933 0.020 . . . . . A 50 SER HB3 . 34000 1 521 . 1 1 50 50 SER CB C 13 64.737 0.200 . . . . . A 50 SER CB . 34000 1 522 . 1 1 50 50 SER N N 15 110.763 0.200 . . . . . A 50 SER N . 34000 1 523 . 1 1 51 51 CYS H H 1 9.705 0.020 . . . . . A 51 CYS H . 34000 1 524 . 1 1 51 51 CYS HA H 1 5.323 0.020 . . . . . A 51 CYS HA . 34000 1 525 . 1 1 51 51 CYS HB2 H 1 3.798 0.020 . . . . . A 51 CYS HB2 . 34000 1 526 . 1 1 51 51 CYS HB3 H 1 3.444 0.020 . . . . . A 51 CYS HB3 . 34000 1 527 . 1 1 51 51 CYS CA C 13 53.343 0.200 . . . . . A 51 CYS CA . 34000 1 528 . 1 1 51 51 CYS CB C 13 47.521 0.200 . . . . . A 51 CYS CB . 34000 1 529 . 1 1 51 51 CYS N N 15 120.532 0.200 . . . . . A 51 CYS N . 34000 1 530 . 1 1 52 52 ASP H H 1 7.499 0.020 . . . . . A 52 ASP H . 34000 1 531 . 1 1 52 52 ASP HA H 1 4.613 0.020 . . . . . A 52 ASP HA . 34000 1 532 . 1 1 52 52 ASP HB2 H 1 3.177 0.020 . . . . . A 52 ASP HB2 . 34000 1 533 . 1 1 52 52 ASP HB3 H 1 2.598 0.020 . . . . . A 52 ASP HB3 . 34000 1 534 . 1 1 52 52 ASP CB C 13 42.834 0.200 . . . . . A 52 ASP CB . 34000 1 535 . 1 1 52 52 ASP N N 15 115.658 0.200 . . . . . A 52 ASP N . 34000 1 536 . 1 1 53 53 LEU H H 1 7.341 0.020 . . . . . A 53 LEU H . 34000 1 537 . 1 1 53 53 LEU HA H 1 4.202 0.020 . . . . . A 53 LEU HA . 34000 1 538 . 1 1 53 53 LEU HB2 H 1 2.167 0.020 . . . . . A 53 LEU HB2 . 34000 1 539 . 1 1 53 53 LEU HB3 H 1 1.342 0.020 . . . . . A 53 LEU HB3 . 34000 1 540 . 1 1 53 53 LEU HG H 1 2.285 0.020 . . . . . A 53 LEU HG . 34000 1 541 . 1 1 53 53 LEU HD11 H 1 1.076 0.020 . . . . . A 53 LEU HD11 . 34000 1 542 . 1 1 53 53 LEU HD12 H 1 1.076 0.020 . . . . . A 53 LEU HD12 . 34000 1 543 . 1 1 53 53 LEU HD13 H 1 1.076 0.020 . . . . . A 53 LEU HD13 . 34000 1 544 . 1 1 53 53 LEU HD21 H 1 1.298 0.020 . . . . . A 53 LEU HD21 . 34000 1 545 . 1 1 53 53 LEU HD22 H 1 1.298 0.020 . . . . . A 53 LEU HD22 . 34000 1 546 . 1 1 53 53 LEU HD23 H 1 1.298 0.020 . . . . . A 53 LEU HD23 . 34000 1 547 . 1 1 53 53 LEU CA C 13 58.206 0.200 . . . . . A 53 LEU CA . 34000 1 548 . 1 1 53 53 LEU CB C 13 42.748 0.200 . . . . . A 53 LEU CB . 34000 1 549 . 1 1 53 53 LEU CG C 13 27.070 0.200 . . . . . A 53 LEU CG . 34000 1 550 . 1 1 53 53 LEU CD1 C 13 22.976 0.200 . . . . . A 53 LEU CD1 . 34000 1 551 . 1 1 53 53 LEU CD2 C 13 27.232 0.200 . . . . . A 53 LEU CD2 . 34000 1 552 . 1 1 53 53 LEU N N 15 117.097 0.200 . . . . . A 53 LEU N . 34000 1 553 . 1 1 54 54 ALA H H 1 8.473 0.020 . . . . . A 54 ALA H . 34000 1 554 . 1 1 54 54 ALA HA H 1 4.065 0.020 . . . . . A 54 ALA HA . 34000 1 555 . 1 1 54 54 ALA HB1 H 1 1.502 0.020 . . . . . A 54 ALA HB1 . 34000 1 556 . 1 1 54 54 ALA HB2 H 1 1.502 0.020 . . . . . A 54 ALA HB2 . 34000 1 557 . 1 1 54 54 ALA HB3 H 1 1.502 0.020 . . . . . A 54 ALA HB3 . 34000 1 558 . 1 1 54 54 ALA CA C 13 55.249 0.200 . . . . . A 54 ALA CA . 34000 1 559 . 1 1 54 54 ALA CB C 13 17.641 0.200 . . . . . A 54 ALA CB . 34000 1 560 . 1 1 54 54 ALA N N 15 120.421 0.200 . . . . . A 54 ALA N . 34000 1 561 . 1 1 55 55 LEU H H 1 8.014 0.020 . . . . . A 55 LEU H . 34000 1 562 . 1 1 55 55 LEU HA H 1 4.418 0.020 . . . . . A 55 LEU HA . 34000 1 563 . 1 1 55 55 LEU HB2 H 1 2.101 0.020 . . . . . A 55 LEU HB2 . 34000 1 564 . 1 1 55 55 LEU HB3 H 1 2.046 0.020 . . . . . A 55 LEU HB3 . 34000 1 565 . 1 1 55 55 LEU HG H 1 1.950 0.020 . . . . . A 55 LEU HG . 34000 1 566 . 1 1 55 55 LEU HD11 H 1 1.160 0.020 . . . . . A 55 LEU HD11 . 34000 1 567 . 1 1 55 55 LEU HD12 H 1 1.160 0.020 . . . . . A 55 LEU HD12 . 34000 1 568 . 1 1 55 55 LEU HD13 H 1 1.160 0.020 . . . . . A 55 LEU HD13 . 34000 1 569 . 1 1 55 55 LEU HD21 H 1 1.160 0.020 . . . . . A 55 LEU HD21 . 34000 1 570 . 1 1 55 55 LEU HD22 H 1 1.160 0.020 . . . . . A 55 LEU HD22 . 34000 1 571 . 1 1 55 55 LEU HD23 H 1 1.160 0.020 . . . . . A 55 LEU HD23 . 34000 1 572 . 1 1 55 55 LEU CA C 13 57.968 0.200 . . . . . A 55 LEU CA . 34000 1 573 . 1 1 55 55 LEU CB C 13 41.604 0.200 . . . . . A 55 LEU CB . 34000 1 574 . 1 1 55 55 LEU CG C 13 28.122 0.200 . . . . . A 55 LEU CG . 34000 1 575 . 1 1 55 55 LEU CD1 C 13 25.209 0.200 . . . . . A 55 LEU CD1 . 34000 1 576 . 1 1 55 55 LEU N N 15 120.635 0.200 . . . . . A 55 LEU N . 34000 1 577 . 1 1 56 56 LEU H H 1 8.318 0.020 . . . . . A 56 LEU H . 34000 1 578 . 1 1 56 56 LEU HA H 1 3.991 0.020 . . . . . A 56 LEU HA . 34000 1 579 . 1 1 56 56 LEU HB2 H 1 2.095 0.020 . . . . . A 56 LEU HB2 . 34000 1 580 . 1 1 56 56 LEU HB3 H 1 1.641 0.020 . . . . . A 56 LEU HB3 . 34000 1 581 . 1 1 56 56 LEU HG H 1 1.841 0.020 . . . . . A 56 LEU HG . 34000 1 582 . 1 1 56 56 LEU HD11 H 1 0.812 0.020 . . . . . A 56 LEU HD11 . 34000 1 583 . 1 1 56 56 LEU HD12 H 1 0.812 0.020 . . . . . A 56 LEU HD12 . 34000 1 584 . 1 1 56 56 LEU HD13 H 1 0.812 0.020 . . . . . A 56 LEU HD13 . 34000 1 585 . 1 1 56 56 LEU HD21 H 1 0.872 0.020 . . . . . A 56 LEU HD21 . 34000 1 586 . 1 1 56 56 LEU HD22 H 1 0.872 0.020 . . . . . A 56 LEU HD22 . 34000 1 587 . 1 1 56 56 LEU HD23 H 1 0.872 0.020 . . . . . A 56 LEU HD23 . 34000 1 588 . 1 1 56 56 LEU CA C 13 60.219 0.200 . . . . . A 56 LEU CA . 34000 1 589 . 1 1 56 56 LEU CB C 13 42.163 0.200 . . . . . A 56 LEU CB . 34000 1 590 . 1 1 56 56 LEU CG C 13 27.552 0.200 . . . . . A 56 LEU CG . 34000 1 591 . 1 1 56 56 LEU CD1 C 13 26.461 0.200 . . . . . A 56 LEU CD1 . 34000 1 592 . 1 1 56 56 LEU CD2 C 13 27.807 0.200 . . . . . A 56 LEU CD2 . 34000 1 593 . 1 1 56 56 LEU N N 15 123.958 0.200 . . . . . A 56 LEU N . 34000 1 594 . 1 1 57 57 GLU H H 1 8.060 0.020 . . . . . A 57 GLU H . 34000 1 595 . 1 1 57 57 GLU HA H 1 4.463 0.020 . . . . . A 57 GLU HA . 34000 1 596 . 1 1 57 57 GLU HB2 H 1 2.253 0.020 . . . . . A 57 GLU HB2 . 34000 1 597 . 1 1 57 57 GLU HB3 H 1 2.070 0.020 . . . . . A 57 GLU HB3 . 34000 1 598 . 1 1 57 57 GLU HG2 H 1 2.618 0.020 . . . . . A 57 GLU HG2 . 34000 1 599 . 1 1 57 57 GLU HG3 H 1 2.386 0.020 . . . . . A 57 GLU HG3 . 34000 1 600 . 1 1 57 57 GLU CB C 13 29.481 0.200 . . . . . A 57 GLU CB . 34000 1 601 . 1 1 57 57 GLU CG C 13 36.522 0.200 . . . . . A 57 GLU CG . 34000 1 602 . 1 1 57 57 GLU N N 15 115.756 0.200 . . . . . A 57 GLU N . 34000 1 603 . 1 1 58 58 THR H H 1 8.051 0.020 . . . . . A 58 THR H . 34000 1 604 . 1 1 58 58 THR HA H 1 4.414 0.020 . . . . . A 58 THR HA . 34000 1 605 . 1 1 58 58 THR HB H 1 4.431 0.020 . . . . . A 58 THR HB . 34000 1 606 . 1 1 58 58 THR HG21 H 1 1.596 0.020 . . . . . A 58 THR HG21 . 34000 1 607 . 1 1 58 58 THR HG22 H 1 1.596 0.020 . . . . . A 58 THR HG22 . 34000 1 608 . 1 1 58 58 THR HG23 H 1 1.596 0.020 . . . . . A 58 THR HG23 . 34000 1 609 . 1 1 58 58 THR CA C 13 64.554 0.200 . . . . . A 58 THR CA . 34000 1 610 . 1 1 58 58 THR CB C 13 69.722 0.200 . . . . . A 58 THR CB . 34000 1 611 . 1 1 58 58 THR CG2 C 13 21.681 0.200 . . . . . A 58 THR CG2 . 34000 1 612 . 1 1 58 58 THR N N 15 110.639 0.200 . . . . . A 58 THR N . 34000 1 613 . 1 1 59 59 TYR H H 1 8.319 0.020 . . . . . A 59 TYR H . 34000 1 614 . 1 1 59 59 TYR HA H 1 4.371 0.020 . . . . . A 59 TYR HA . 34000 1 615 . 1 1 59 59 TYR HB2 H 1 3.977 0.020 . . . . . A 59 TYR HB2 . 34000 1 616 . 1 1 59 59 TYR HB3 H 1 3.125 0.020 . . . . . A 59 TYR HB3 . 34000 1 617 . 1 1 59 59 TYR HD1 H 1 7.359 0.020 . . . . . A 59 TYR HD1 . 34000 1 618 . 1 1 59 59 TYR HD2 H 1 7.359 0.020 . . . . . A 59 TYR HD2 . 34000 1 619 . 1 1 59 59 TYR HE1 H 1 6.627 0.020 . . . . . A 59 TYR HE1 . 34000 1 620 . 1 1 59 59 TYR HE2 H 1 6.627 0.020 . . . . . A 59 TYR HE2 . 34000 1 621 . 1 1 59 59 TYR CB C 13 36.834 0.200 . . . . . A 59 TYR CB . 34000 1 622 . 1 1 59 59 TYR CD1 C 13 134.263 0.200 . . . . . A 59 TYR CD1 . 34000 1 623 . 1 1 59 59 TYR CE1 C 13 117.147 0.200 . . . . . A 59 TYR CE1 . 34000 1 624 . 1 1 59 59 TYR N N 15 121.046 0.200 . . . . . A 59 TYR N . 34000 1 625 . 1 1 60 60 CYS H H 1 7.621 0.020 . . . . . A 60 CYS H . 34000 1 626 . 1 1 60 60 CYS HA H 1 5.328 0.020 . . . . . A 60 CYS HA . 34000 1 627 . 1 1 60 60 CYS HB2 H 1 3.241 0.020 . . . . . A 60 CYS HB2 . 34000 1 628 . 1 1 60 60 CYS HB3 H 1 2.909 0.020 . . . . . A 60 CYS HB3 . 34000 1 629 . 1 1 60 60 CYS CA C 13 53.289 0.200 . . . . . A 60 CYS CA . 34000 1 630 . 1 1 60 60 CYS CB C 13 34.413 0.200 . . . . . A 60 CYS CB . 34000 1 631 . 1 1 60 60 CYS N N 15 116.571 0.200 . . . . . A 60 CYS N . 34000 1 632 . 1 1 61 61 ALA H H 1 8.214 0.020 . . . . . A 61 ALA H . 34000 1 633 . 1 1 61 61 ALA HA H 1 4.282 0.020 . . . . . A 61 ALA HA . 34000 1 634 . 1 1 61 61 ALA HB1 H 1 1.214 0.020 . . . . . A 61 ALA HB1 . 34000 1 635 . 1 1 61 61 ALA HB2 H 1 1.214 0.020 . . . . . A 61 ALA HB2 . 34000 1 636 . 1 1 61 61 ALA HB3 H 1 1.214 0.020 . . . . . A 61 ALA HB3 . 34000 1 637 . 1 1 61 61 ALA CA C 13 53.070 0.200 . . . . . A 61 ALA CA . 34000 1 638 . 1 1 61 61 ALA CB C 13 18.750 0.200 . . . . . A 61 ALA CB . 34000 1 639 . 1 1 61 61 ALA N N 15 125.680 0.200 . . . . . A 61 ALA N . 34000 1 640 . 1 1 62 62 THR H H 1 7.799 0.020 . . . . . A 62 THR H . 34000 1 641 . 1 1 62 62 THR HA H 1 4.794 0.020 . . . . . A 62 THR HA . 34000 1 642 . 1 1 62 62 THR HB H 1 4.294 0.020 . . . . . A 62 THR HB . 34000 1 643 . 1 1 62 62 THR HG21 H 1 1.379 0.020 . . . . . A 62 THR HG21 . 34000 1 644 . 1 1 62 62 THR HG22 H 1 1.379 0.020 . . . . . A 62 THR HG22 . 34000 1 645 . 1 1 62 62 THR HG23 H 1 1.379 0.020 . . . . . A 62 THR HG23 . 34000 1 646 . 1 1 62 62 THR CB C 13 70.229 0.200 . . . . . A 62 THR CB . 34000 1 647 . 1 1 62 62 THR CG2 C 13 21.768 0.200 . . . . . A 62 THR CG2 . 34000 1 648 . 1 1 62 62 THR N N 15 112.629 0.200 . . . . . A 62 THR N . 34000 1 649 . 1 1 63 63 PRO HA H 1 4.550 0.020 . . . . . A 63 PRO HA . 34000 1 650 . 1 1 63 63 PRO HB2 H 1 2.420 0.020 . . . . . A 63 PRO HB2 . 34000 1 651 . 1 1 63 63 PRO HB3 H 1 2.036 0.020 . . . . . A 63 PRO HB3 . 34000 1 652 . 1 1 63 63 PRO HG2 H 1 2.161 0.020 . . . . . A 63 PRO HG2 . 34000 1 653 . 1 1 63 63 PRO HG3 H 1 2.075 0.020 . . . . . A 63 PRO HG3 . 34000 1 654 . 1 1 63 63 PRO HD2 H 1 3.908 0.020 . . . . . A 63 PRO HD2 . 34000 1 655 . 1 1 63 63 PRO HD3 H 1 3.844 0.020 . . . . . A 63 PRO HD3 . 34000 1 656 . 1 1 63 63 PRO CB C 13 32.340 0.200 . . . . . A 63 PRO CB . 34000 1 657 . 1 1 63 63 PRO CG C 13 27.497 0.200 . . . . . A 63 PRO CG . 34000 1 658 . 1 1 63 63 PRO CD C 13 51.216 0.200 . . . . . A 63 PRO CD . 34000 1 659 . 1 1 64 64 ALA H H 1 8.499 0.020 . . . . . A 64 ALA H . 34000 1 660 . 1 1 64 64 ALA HA H 1 4.356 0.020 . . . . . A 64 ALA HA . 34000 1 661 . 1 1 64 64 ALA HB1 H 1 1.490 0.020 . . . . . A 64 ALA HB1 . 34000 1 662 . 1 1 64 64 ALA HB2 H 1 1.490 0.020 . . . . . A 64 ALA HB2 . 34000 1 663 . 1 1 64 64 ALA HB3 H 1 1.490 0.020 . . . . . A 64 ALA HB3 . 34000 1 664 . 1 1 64 64 ALA CA C 13 52.517 0.200 . . . . . A 64 ALA CA . 34000 1 665 . 1 1 64 64 ALA CB C 13 19.434 0.200 . . . . . A 64 ALA CB . 34000 1 666 . 1 1 64 64 ALA N N 15 124.366 0.200 . . . . . A 64 ALA N . 34000 1 667 . 1 1 65 65 LYS H H 1 8.357 0.020 . . . . . A 65 LYS H . 34000 1 668 . 1 1 65 65 LYS HA H 1 4.468 0.020 . . . . . A 65 LYS HA . 34000 1 669 . 1 1 65 65 LYS HB2 H 1 1.963 0.020 . . . . . A 65 LYS HB2 . 34000 1 670 . 1 1 65 65 LYS HB3 H 1 1.869 0.020 . . . . . A 65 LYS HB3 . 34000 1 671 . 1 1 65 65 LYS HG2 H 1 1.530 0.020 . . . . . A 65 LYS HG2 . 34000 1 672 . 1 1 65 65 LYS HG3 H 1 1.530 0.020 . . . . . A 65 LYS HG3 . 34000 1 673 . 1 1 65 65 LYS HD2 H 1 1.804 0.020 . . . . . A 65 LYS HD2 . 34000 1 674 . 1 1 65 65 LYS HD3 H 1 1.804 0.020 . . . . . A 65 LYS HD3 . 34000 1 675 . 1 1 65 65 LYS HE2 H 1 3.099 0.020 . . . . . A 65 LYS HE2 . 34000 1 676 . 1 1 65 65 LYS HE3 H 1 3.099 0.020 . . . . . A 65 LYS HE3 . 34000 1 677 . 1 1 65 65 LYS CB C 13 33.495 0.200 . . . . . A 65 LYS CB . 34000 1 678 . 1 1 65 65 LYS CG C 13 24.684 0.200 . . . . . A 65 LYS CG . 34000 1 679 . 1 1 65 65 LYS CD C 13 29.236 0.200 . . . . . A 65 LYS CD . 34000 1 680 . 1 1 65 65 LYS CE C 13 42.181 0.200 . . . . . A 65 LYS CE . 34000 1 681 . 1 1 65 65 LYS N N 15 120.744 0.200 . . . . . A 65 LYS N . 34000 1 682 . 1 1 66 66 SER H H 1 8.450 0.020 . . . . . A 66 SER H . 34000 1 683 . 1 1 66 66 SER HA H 1 4.575 0.020 . . . . . A 66 SER HA . 34000 1 684 . 1 1 66 66 SER HB2 H 1 3.957 0.020 . . . . . A 66 SER HB2 . 34000 1 685 . 1 1 66 66 SER HB3 H 1 3.957 0.020 . . . . . A 66 SER HB3 . 34000 1 686 . 1 1 66 66 SER N N 15 118.103 0.200 . . . . . A 66 SER N . 34000 1 687 . 1 1 67 67 GLU H H 1 8.067 0.020 . . . . . A 67 GLU H . 34000 1 688 . 1 1 67 67 GLU HA H 1 4.288 0.020 . . . . . A 67 GLU HA . 34000 1 689 . 1 1 67 67 GLU HB2 H 1 2.180 0.020 . . . . . A 67 GLU HB2 . 34000 1 690 . 1 1 67 67 GLU HB3 H 1 1.997 0.020 . . . . . A 67 GLU HB3 . 34000 1 691 . 1 1 67 67 GLU HG2 H 1 2.341 0.020 . . . . . A 67 GLU HG2 . 34000 1 692 . 1 1 67 67 GLU HG3 H 1 2.341 0.020 . . . . . A 67 GLU HG3 . 34000 1 693 . 1 1 67 67 GLU CB C 13 31.002 0.200 . . . . . A 67 GLU CB . 34000 1 694 . 1 1 67 67 GLU N N 15 127.346 0.200 . . . . . A 67 GLU N . 34000 1 stop_ save_