################################### # 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 18749 _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 HNCACB' . . . 18749 1 2 '3D CBCA(CO)NH' . . . 18749 1 3 '3D 1H-15N TOCSY' . . . 18749 1 6 '3D H(CCO)NH' . . . 18749 1 7 '3D C(CO)NH' . . . 18749 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 4 4 PRO HA H 1 4.391 0.04 . 1 . . . A 4 PRO HA . 18749 1 2 . 1 1 4 4 PRO HB2 H 1 2.184 0.04 . 2 . . . A 4 PRO HB2 . 18749 1 3 . 1 1 4 4 PRO HB3 H 1 2.184 0.04 . 2 . . . A 4 PRO HB3 . 18749 1 4 . 1 1 4 4 PRO HG2 H 1 1.949 0.04 . 2 . . . A 4 PRO HG2 . 18749 1 5 . 1 1 4 4 PRO HG3 H 1 1.949 0.04 . 2 . . . A 4 PRO HG3 . 18749 1 6 . 1 1 4 4 PRO HD2 H 1 3.58 0.04 . 2 . . . A 4 PRO HD2 . 18749 1 7 . 1 1 4 4 PRO HD3 H 1 3.58 0.04 . 2 . . . A 4 PRO HD3 . 18749 1 8 . 1 1 4 4 PRO C C 13 176.097 0.5 . 1 . . . A 4 PRO C . 18749 1 9 . 1 1 4 4 PRO CA C 13 62.96475 0.5 . 1 . . . A 4 PRO CA . 18749 1 10 . 1 1 4 4 PRO CB C 13 31.90175 0.5 . 1 . . . A 4 PRO CB . 18749 1 11 . 1 1 4 4 PRO CG C 13 27.531 0.5 . 1 . . . A 4 PRO CG . 18749 1 12 . 1 1 4 4 PRO CD C 13 50.411 0.5 . 1 . . . A 4 PRO CD . 18749 1 13 . 1 1 5 5 VAL H H 1 8.149 0.04 . 1 . . . A 5 VAL H . 18749 1 14 . 1 1 5 5 VAL HA H 1 4.341 0.04 . 1 . . . A 5 VAL HA . 18749 1 15 . 1 1 5 5 VAL HB H 1 2.021 0.04 . 1 . . . A 5 VAL HB . 18749 1 16 . 1 1 5 5 VAL HG11 H 1 0.925 0.04 . 2 . . . A 5 VAL HG11 . 18749 1 17 . 1 1 5 5 VAL HG12 H 1 0.925 0.04 . 2 . . . A 5 VAL HG12 . 18749 1 18 . 1 1 5 5 VAL HG13 H 1 0.925 0.04 . 2 . . . A 5 VAL HG13 . 18749 1 19 . 1 1 5 5 VAL HG21 H 1 0.925 0.04 . 2 . . . A 5 VAL HG21 . 18749 1 20 . 1 1 5 5 VAL HG22 H 1 0.925 0.04 . 2 . . . A 5 VAL HG22 . 18749 1 21 . 1 1 5 5 VAL HG23 H 1 0.925 0.04 . 2 . . . A 5 VAL HG23 . 18749 1 22 . 1 1 5 5 VAL CA C 13 59.763 0.5 . 1 . . . A 5 VAL CA . 18749 1 23 . 1 1 5 5 VAL CB C 13 32.567 0.5 . 1 . . . A 5 VAL CB . 18749 1 24 . 1 1 5 5 VAL N N 15 121.993 0.3 . 1 . . . A 5 VAL N . 18749 1 25 . 1 1 6 6 PRO HA H 1 4.256 0.04 . 1 . . . A 6 PRO HA . 18749 1 26 . 1 1 6 6 PRO HB2 H 1 2.084 0.04 . 2 . . . A 6 PRO HB2 . 18749 1 27 . 1 1 6 6 PRO HB3 H 1 2.084 0.04 . 2 . . . A 6 PRO HB3 . 18749 1 28 . 1 1 6 6 PRO HG2 H 1 1.852 0.04 . 2 . . . A 6 PRO HG2 . 18749 1 29 . 1 1 6 6 PRO HG3 H 1 1.852 0.04 . 2 . . . A 6 PRO HG3 . 18749 1 30 . 1 1 6 6 PRO HD2 H 1 3.593 0.04 . 2 . . . A 6 PRO HD2 . 18749 1 31 . 1 1 6 6 PRO HD3 H 1 3.593 0.04 . 2 . . . A 6 PRO HD3 . 18749 1 32 . 1 1 6 6 PRO C C 13 176.167 0.5 . 1 . . . A 6 PRO C . 18749 1 33 . 1 1 6 6 PRO CA C 13 63.13775 0.5 . 1 . . . A 6 PRO CA . 18749 1 34 . 1 1 6 6 PRO CB C 13 31.87725 0.5 . 1 . . . A 6 PRO CB . 18749 1 35 . 1 1 6 6 PRO CG C 13 27.377 0.5 . 1 . . . A 6 PRO CG . 18749 1 36 . 1 1 6 6 PRO CD C 13 50.858 0.5 . 1 . . . A 6 PRO CD . 18749 1 37 . 1 1 7 7 TYR H H 1 7.945 0.04 . 1 . . . A 7 TYR H . 18749 1 38 . 1 1 7 7 TYR HA H 1 4.443 0.04 . 1 . . . A 7 TYR HA . 18749 1 39 . 1 1 7 7 TYR HB2 H 1 2.979 0.04 . 2 . . . A 7 TYR HB2 . 18749 1 40 . 1 1 7 7 TYR HB3 H 1 2.812 0.04 . 2 . . . A 7 TYR HB3 . 18749 1 41 . 1 1 7 7 TYR CA C 13 55.602 0.5 . 1 . . . A 7 TYR CA . 18749 1 42 . 1 1 7 7 TYR CB C 13 38.212 0.5 . 1 . . . A 7 TYR CB . 18749 1 43 . 1 1 7 7 TYR N N 15 121.107 0.3 . 1 . . . A 7 TYR N . 18749 1 44 . 1 1 8 8 PRO HA H 1 4.288 0.04 . 1 . . . A 8 PRO HA . 18749 1 45 . 1 1 8 8 PRO HB2 H 1 2.104 0.04 . 2 . . . A 8 PRO HB2 . 18749 1 46 . 1 1 8 8 PRO HB3 H 1 2.104 0.04 . 2 . . . A 8 PRO HB3 . 18749 1 47 . 1 1 8 8 PRO HG2 H 1 1.835 0.04 . 2 . . . A 8 PRO HG2 . 18749 1 48 . 1 1 8 8 PRO HG3 H 1 1.835 0.04 . 2 . . . A 8 PRO HG3 . 18749 1 49 . 1 1 8 8 PRO HD2 H 1 3.638 0.04 . 2 . . . A 8 PRO HD2 . 18749 1 50 . 1 1 8 8 PRO HD3 H 1 3.361 0.04 . 2 . . . A 8 PRO HD3 . 18749 1 51 . 1 1 8 8 PRO C C 13 176.122 0.5 . 1 . . . A 8 PRO C . 18749 1 52 . 1 1 8 8 PRO CA C 13 62.9835 0.5 . 1 . . . A 8 PRO CA . 18749 1 53 . 1 1 8 8 PRO CB C 13 31.91325 0.5 . 1 . . . A 8 PRO CB . 18749 1 54 . 1 1 8 8 PRO CG C 13 27.377 0.5 . 1 . . . A 8 PRO CG . 18749 1 55 . 1 1 8 8 PRO CD C 13 50.567 0.5 . 1 . . . A 8 PRO CD . 18749 1 56 . 1 1 9 9 ASP H H 1 8.204 0.04 . 1 . . . A 9 ASP H . 18749 1 57 . 1 1 9 9 ASP HA H 1 4.466 0.04 . 1 . . . A 9 ASP HA . 18749 1 58 . 1 1 9 9 ASP HB2 H 1 2.699 0.04 . 2 . . . A 9 ASP HB2 . 18749 1 59 . 1 1 9 9 ASP HB3 H 1 2.473 0.04 . 2 . . . A 9 ASP HB3 . 18749 1 60 . 1 1 9 9 ASP CA C 13 52.317 0.5 . 1 . . . A 9 ASP CA . 18749 1 61 . 1 1 9 9 ASP CB C 13 41.371 0.5 . 1 . . . A 9 ASP CB . 18749 1 62 . 1 1 9 9 ASP N N 15 122.332 0.3 . 1 . . . A 9 ASP N . 18749 1 63 . 1 1 10 10 PRO HA H 1 4.309 0.04 . 1 . . . A 10 PRO HA . 18749 1 64 . 1 1 10 10 PRO HB2 H 1 2.209 0.04 . 2 . . . A 10 PRO HB2 . 18749 1 65 . 1 1 10 10 PRO HB3 H 1 2.209 0.04 . 2 . . . A 10 PRO HB3 . 18749 1 66 . 1 1 10 10 PRO HG2 H 1 1.925 0.04 . 2 . . . A 10 PRO HG2 . 18749 1 67 . 1 1 10 10 PRO HG3 H 1 1.925 0.04 . 2 . . . A 10 PRO HG3 . 18749 1 68 . 1 1 10 10 PRO HD2 H 1 3.783 0.04 . 2 . . . A 10 PRO HD2 . 18749 1 69 . 1 1 10 10 PRO HD3 H 1 3.783 0.04 . 2 . . . A 10 PRO HD3 . 18749 1 70 . 1 1 10 10 PRO C C 13 177.003 0.5 . 1 . . . A 10 PRO C . 18749 1 71 . 1 1 10 10 PRO CA C 13 63.635 0.5 . 1 . . . A 10 PRO CA . 18749 1 72 . 1 1 10 10 PRO CB C 13 32.207 0.5 . 1 . . . A 10 PRO CB . 18749 1 73 . 1 1 10 10 PRO CG C 13 27.373 0.5 . 1 . . . A 10 PRO CG . 18749 1 74 . 1 1 10 10 PRO CD C 13 50.881 0.5 . 1 . . . A 10 PRO CD . 18749 1 75 . 1 1 11 11 LEU H H 1 8.295 0.04 . 1 . . . A 11 LEU H . 18749 1 76 . 1 1 11 11 LEU HA H 1 4.2205 0.04 . 1 . . . A 11 LEU HA . 18749 1 77 . 1 1 11 11 LEU HB2 H 1 1.649 0.04 . 2 . . . A 11 LEU HB2 . 18749 1 78 . 1 1 11 11 LEU HB3 H 1 1.649 0.04 . 2 . . . A 11 LEU HB3 . 18749 1 79 . 1 1 11 11 LEU HG H 1 1.496 0.04 . 1 . . . A 11 LEU HG . 18749 1 80 . 1 1 11 11 LEU HD11 H 1 0.799 0.04 . 2 . . . A 11 LEU HD11 . 18749 1 81 . 1 1 11 11 LEU HD12 H 1 0.799 0.04 . 2 . . . A 11 LEU HD12 . 18749 1 82 . 1 1 11 11 LEU HD13 H 1 0.799 0.04 . 2 . . . A 11 LEU HD13 . 18749 1 83 . 1 1 11 11 LEU HD21 H 1 0.799 0.04 . 2 . . . A 11 LEU HD21 . 18749 1 84 . 1 1 11 11 LEU HD22 H 1 0.799 0.04 . 2 . . . A 11 LEU HD22 . 18749 1 85 . 1 1 11 11 LEU HD23 H 1 0.799 0.04 . 2 . . . A 11 LEU HD23 . 18749 1 86 . 1 1 11 11 LEU C C 13 177.277 0.5 . 1 . . . A 11 LEU C . 18749 1 87 . 1 1 11 11 LEU CA C 13 54.93825 0.5 . 1 . . . A 11 LEU CA . 18749 1 88 . 1 1 11 11 LEU CB C 13 41.90825 0.5 . 1 . . . A 11 LEU CB . 18749 1 89 . 1 1 11 11 LEU CG C 13 27.209 0.5 . 1 . . . A 11 LEU CG . 18749 1 90 . 1 1 11 11 LEU CD1 C 13 25.05 0.5 . 2 . . . A 11 LEU CD1 . 18749 1 91 . 1 1 11 11 LEU CD2 C 13 23.246 0.5 . 2 . . . A 11 LEU CD2 . 18749 1 92 . 1 1 11 11 LEU N N 15 120.566 0.3 . 1 . . . A 11 LEU N . 18749 1 93 . 1 1 12 12 GLU H H 1 7.857 0.04 . 1 . . . A 12 GLU H . 18749 1 94 . 1 1 12 12 GLU HA H 1 4.384 0.04 . 1 . . . A 12 GLU HA . 18749 1 95 . 1 1 12 12 GLU HB2 H 1 1.839 0.04 . 2 . . . A 12 GLU HB2 . 18749 1 96 . 1 1 12 12 GLU HB3 H 1 1.839 0.04 . 2 . . . A 12 GLU HB3 . 18749 1 97 . 1 1 12 12 GLU HG2 H 1 2.154 0.04 . 2 . . . A 12 GLU HG2 . 18749 1 98 . 1 1 12 12 GLU HG3 H 1 2.154 0.04 . 2 . . . A 12 GLU HG3 . 18749 1 99 . 1 1 12 12 GLU CA C 13 54.384 0.5 . 1 . . . A 12 GLU CA . 18749 1 100 . 1 1 12 12 GLU CB C 13 29.988 0.5 . 1 . . . A 12 GLU CB . 18749 1 101 . 1 1 12 12 GLU N N 15 122.415 0.3 . 1 . . . A 12 GLU N . 18749 1 102 . 1 1 13 13 PRO HA H 1 4.249 0.04 . 1 . . . A 13 PRO HA . 18749 1 103 . 1 1 13 13 PRO HB2 H 1 2.1 0.04 . 2 . . . A 13 PRO HB2 . 18749 1 104 . 1 1 13 13 PRO HB3 H 1 2.1 0.04 . 2 . . . A 13 PRO HB3 . 18749 1 105 . 1 1 13 13 PRO HG2 H 1 1.847 0.04 . 2 . . . A 13 PRO HG2 . 18749 1 106 . 1 1 13 13 PRO HG3 H 1 1.847 0.04 . 2 . . . A 13 PRO HG3 . 18749 1 107 . 1 1 13 13 PRO HD2 H 1 3.551 0.04 . 2 . . . A 13 PRO HD2 . 18749 1 108 . 1 1 13 13 PRO HD3 H 1 3.551 0.04 . 2 . . . A 13 PRO HD3 . 18749 1 109 . 1 1 13 13 PRO C C 13 177.132 0.5 . 1 . . . A 13 PRO C . 18749 1 110 . 1 1 13 13 PRO CA C 13 63.45775 0.5 . 1 . . . A 13 PRO CA . 18749 1 111 . 1 1 13 13 PRO CB C 13 31.862 0.5 . 1 . . . A 13 PRO CB . 18749 1 112 . 1 1 13 13 PRO CG C 13 27.587 0.5 . 1 . . . A 13 PRO CG . 18749 1 113 . 1 1 13 13 PRO CD C 13 50.683 0.5 . 1 . . . A 13 PRO CD . 18749 1 114 . 1 1 14 14 ARG H H 1 8.337 0.04 . 1 . . . A 14 ARG H . 18749 1 115 . 1 1 14 14 ARG HA H 1 4.159 0.04 . 1 . . . A 14 ARG HA . 18749 1 116 . 1 1 14 14 ARG HG2 H 1 1.521 0.04 . 2 . . . A 14 ARG HG2 . 18749 1 117 . 1 1 14 14 ARG HG3 H 1 1.521 0.04 . 2 . . . A 14 ARG HG3 . 18749 1 118 . 1 1 14 14 ARG HD2 H 1 3.032 0.04 . 2 . . . A 14 ARG HD2 . 18749 1 119 . 1 1 14 14 ARG HD3 H 1 3.032 0.04 . 2 . . . A 14 ARG HD3 . 18749 1 120 . 1 1 14 14 ARG CA C 13 56.16225 0.5 . 1 . . . A 14 ARG CA . 18749 1 121 . 1 1 14 14 ARG CB C 13 30.632 0.5 . 1 . . . A 14 ARG CB . 18749 1 122 . 1 1 14 14 ARG CG C 13 27.236 0.5 . 1 . . . A 14 ARG CG . 18749 1 123 . 1 1 14 14 ARG CD C 13 43.526 0.5 . 1 . . . A 14 ARG CD . 18749 1 124 . 1 1 14 14 ARG N N 15 121.214 0.3 . 1 . . . A 14 ARG N . 18749 1 125 . 1 1 15 15 GLY H H 1 8.28 0.04 . 1 . . . A 15 GLY H . 18749 1 126 . 1 1 15 15 GLY HA2 H 1 3.843 0.04 . 2 . . . A 15 GLY HA2 . 18749 1 127 . 1 1 15 15 GLY HA3 H 1 3.843 0.04 . 2 . . . A 15 GLY HA3 . 18749 1 128 . 1 1 15 15 GLY C C 13 174.13 0.5 . 1 . . . A 15 GLY C . 18749 1 129 . 1 1 15 15 GLY CA C 13 45.312 0.5 . 1 . . . A 15 GLY CA . 18749 1 130 . 1 1 15 15 GLY N N 15 109.686 0.3 . 1 . . . A 15 GLY N . 18749 1 131 . 1 1 16 16 GLY H H 1 7.764 0.04 . 1 . . . A 16 GLY H . 18749 1 132 . 1 1 16 16 GLY HA2 H 1 3.513 0.04 . 2 . . . A 16 GLY HA2 . 18749 1 133 . 1 1 16 16 GLY HA3 H 1 3.253 0.04 . 2 . . . A 16 GLY HA3 . 18749 1 134 . 1 1 16 16 GLY C C 13 172.056 0.5 . 1 . . . A 16 GLY C . 18749 1 135 . 1 1 16 16 GLY CA C 13 44.89475 0.5 . 1 . . . A 16 GLY CA . 18749 1 136 . 1 1 16 16 GLY N N 15 108.011 0.3 . 1 . . . A 16 GLY N . 18749 1 137 . 1 1 17 17 LYS H H 1 7.347 0.04 . 1 . . . A 17 LYS H . 18749 1 138 . 1 1 17 17 LYS HA H 1 4.135 0.04 . 1 . . . A 17 LYS HA . 18749 1 139 . 1 1 17 17 LYS HG2 H 1 1.331 0.04 . 2 . . . A 17 LYS HG2 . 18749 1 140 . 1 1 17 17 LYS HG3 H 1 1.11 0.04 . 2 . . . A 17 LYS HG3 . 18749 1 141 . 1 1 17 17 LYS HD2 H 1 1.4435 0.04 . 2 . . . A 17 LYS HD2 . 18749 1 142 . 1 1 17 17 LYS HD3 H 1 1.4435 0.04 . 2 . . . A 17 LYS HD3 . 18749 1 143 . 1 1 17 17 LYS HE2 H 1 2.781 0.04 . 2 . . . A 17 LYS HE2 . 18749 1 144 . 1 1 17 17 LYS HE3 H 1 2.781 0.04 . 2 . . . A 17 LYS HE3 . 18749 1 145 . 1 1 17 17 LYS C C 13 175.259 0.5 . 1 . . . A 17 LYS C . 18749 1 146 . 1 1 17 17 LYS CA C 13 53.914 0.5 . 1 . . . A 17 LYS CA . 18749 1 147 . 1 1 17 17 LYS CB C 13 35.2195 0.5 . 1 . . . A 17 LYS CB . 18749 1 148 . 1 1 17 17 LYS CG C 13 24.318 0.5 . 1 . . . A 17 LYS CG . 18749 1 149 . 1 1 17 17 LYS CD C 13 29.08 0.5 . 1 . . . A 17 LYS CD . 18749 1 150 . 1 1 17 17 LYS CE C 13 42.618 0.5 . 1 . . . A 17 LYS CE . 18749 1 151 . 1 1 17 17 LYS N N 15 117.049 0.3 . 1 . . . A 17 LYS N . 18749 1 152 . 1 1 18 18 HIS H H 1 8.896 0.04 . 1 . . . A 18 HIS H . 18749 1 153 . 1 1 18 18 HIS HB2 H 1 2.825 0.04 . 2 . . . A 18 HIS HB2 . 18749 1 154 . 1 1 18 18 HIS HB3 H 1 2.269 0.04 . 2 . . . A 18 HIS HB3 . 18749 1 155 . 1 1 18 18 HIS C C 13 175.419 0.5 . 1 . . . A 18 HIS C . 18749 1 156 . 1 1 18 18 HIS CA C 13 57.086 0.5 . 1 . . . A 18 HIS CA . 18749 1 157 . 1 1 18 18 HIS CB C 13 30.49175 0.5 . 1 . . . A 18 HIS CB . 18749 1 158 . 1 1 18 18 HIS N N 15 120.426 0.3 . 1 . . . A 18 HIS N . 18749 1 159 . 1 1 19 19 ILE H H 1 8.18 0.04 . 1 . . . A 19 ILE H . 18749 1 160 . 1 1 19 19 ILE HA H 1 4.4535 0.04 . 1 . . . A 19 ILE HA . 18749 1 161 . 1 1 19 19 ILE HB H 1 1.824 0.04 . 1 . . . A 19 ILE HB . 18749 1 162 . 1 1 19 19 ILE HG12 H 1 1.296 0.04 . 2 . . . A 19 ILE HG12 . 18749 1 163 . 1 1 19 19 ILE HG13 H 1 1.296 0.04 . 2 . . . A 19 ILE HG13 . 18749 1 164 . 1 1 19 19 ILE HG21 H 1 0.665 0.04 . 1 . . . A 19 ILE HG21 . 18749 1 165 . 1 1 19 19 ILE HG22 H 1 0.665 0.04 . 1 . . . A 19 ILE HG22 . 18749 1 166 . 1 1 19 19 ILE HG23 H 1 0.665 0.04 . 1 . . . A 19 ILE HG23 . 18749 1 167 . 1 1 19 19 ILE C C 13 175.138 0.5 . 1 . . . A 19 ILE C . 18749 1 168 . 1 1 19 19 ILE CA C 13 59.18875 0.5 . 1 . . . A 19 ILE CA . 18749 1 169 . 1 1 19 19 ILE CB C 13 41.81575 0.5 . 1 . . . A 19 ILE CB . 18749 1 170 . 1 1 19 19 ILE CG1 C 13 27.493 0.5 . 1 . . . A 19 ILE CG1 . 18749 1 171 . 1 1 19 19 ILE CG2 C 13 17.219 0.5 . 1 . . . A 19 ILE CG2 . 18749 1 172 . 1 1 19 19 ILE N N 15 126.193 0.3 . 1 . . . A 19 ILE N . 18749 1 173 . 1 1 20 20 CYS H H 1 8.382 0.04 . 1 . . . A 20 CYS H . 18749 1 174 . 1 1 20 20 CYS HA H 1 4.915 0.04 . 1 . . . A 20 CYS HA . 18749 1 175 . 1 1 20 20 CYS HB2 H 1 3.1045 0.04 . 2 . . . A 20 CYS HB2 . 18749 1 176 . 1 1 20 20 CYS HB3 H 1 2.127 0.04 . 2 . . . A 20 CYS HB3 . 18749 1 177 . 1 1 20 20 CYS C C 13 174.996 0.5 . 1 . . . A 20 CYS C . 18749 1 178 . 1 1 20 20 CYS CA C 13 57.3695 0.5 . 1 . . . A 20 CYS CA . 18749 1 179 . 1 1 20 20 CYS CB C 13 32.008 0.5 . 1 . . . A 20 CYS CB . 18749 1 180 . 1 1 20 20 CYS N N 15 127.805 0.3 . 1 . . . A 20 CYS N . 18749 1 181 . 1 1 21 21 ALA H H 1 8.742 0.04 . 1 . . . A 21 ALA H . 18749 1 182 . 1 1 21 21 ALA HA H 1 4.1625 0.04 . 1 . . . A 21 ALA HA . 18749 1 183 . 1 1 21 21 ALA HB1 H 1 1.5515 0.04 . 1 . . . A 21 ALA HB1 . 18749 1 184 . 1 1 21 21 ALA HB2 H 1 1.5515 0.04 . 1 . . . A 21 ALA HB2 . 18749 1 185 . 1 1 21 21 ALA HB3 H 1 1.5515 0.04 . 1 . . . A 21 ALA HB3 . 18749 1 186 . 1 1 21 21 ALA C C 13 177.885 0.5 . 1 . . . A 21 ALA C . 18749 1 187 . 1 1 21 21 ALA CA C 13 54.4915 0.5 . 1 . . . A 21 ALA CA . 18749 1 188 . 1 1 21 21 ALA CB C 13 19.6245 0.5 . 1 . . . A 21 ALA CB . 18749 1 189 . 1 1 21 21 ALA N N 15 135.406 0.3 . 1 . . . A 21 ALA N . 18749 1 190 . 1 1 22 22 ILE H H 1 8.15 0.04 . 1 . . . A 22 ILE H . 18749 1 191 . 1 1 22 22 ILE HA H 1 3.8605 0.04 . 1 . . . A 22 ILE HA . 18749 1 192 . 1 1 22 22 ILE HB H 1 2.207 0.04 . 1 . . . A 22 ILE HB . 18749 1 193 . 1 1 22 22 ILE HG12 H 1 1.528 0.04 . 2 . . . A 22 ILE HG12 . 18749 1 194 . 1 1 22 22 ILE HG13 H 1 1.242 0.04 . 2 . . . A 22 ILE HG13 . 18749 1 195 . 1 1 22 22 ILE HG21 H 1 0.9155 0.04 . 1 . . . A 22 ILE HG21 . 18749 1 196 . 1 1 22 22 ILE HG22 H 1 0.9155 0.04 . 1 . . . A 22 ILE HG22 . 18749 1 197 . 1 1 22 22 ILE HG23 H 1 0.9155 0.04 . 1 . . . A 22 ILE HG23 . 18749 1 198 . 1 1 22 22 ILE C C 13 176.914 0.5 . 1 . . . A 22 ILE C . 18749 1 199 . 1 1 22 22 ILE CA C 13 63.2175 0.5 . 1 . . . A 22 ILE CA . 18749 1 200 . 1 1 22 22 ILE CB C 13 37.3715 0.5 . 1 . . . A 22 ILE CB . 18749 1 201 . 1 1 22 22 ILE CG1 C 13 27.608 0.5 . 1 . . . A 22 ILE CG1 . 18749 1 202 . 1 1 22 22 ILE CG2 C 13 18.192 0.5 . 1 . . . A 22 ILE CG2 . 18749 1 203 . 1 1 22 22 ILE N N 15 119.063 0.3 . 1 . . . A 22 ILE N . 18749 1 204 . 1 1 23 23 CYS H H 1 7.238 0.04 . 1 . . . A 23 CYS H . 18749 1 205 . 1 1 23 23 CYS HB2 H 1 3.057 0.04 . 2 . . . A 23 CYS HB2 . 18749 1 206 . 1 1 23 23 CYS HB3 H 1 3.057 0.04 . 2 . . . A 23 CYS HB3 . 18749 1 207 . 1 1 23 23 CYS C C 13 176.216 0.5 . 1 . . . A 23 CYS C . 18749 1 208 . 1 1 23 23 CYS CA C 13 57.878 0.5 . 1 . . . A 23 CYS CA . 18749 1 209 . 1 1 23 23 CYS CB C 13 30.456 0.5 . 1 . . . A 23 CYS CB . 18749 1 210 . 1 1 23 23 CYS N N 15 114.362 0.3 . 1 . . . A 23 CYS N . 18749 1 211 . 1 1 24 24 GLY H H 1 7.566 0.04 . 1 . . . A 24 GLY H . 18749 1 212 . 1 1 24 24 GLY HA2 H 1 3.977 0.04 . 2 . . . A 24 GLY HA2 . 18749 1 213 . 1 1 24 24 GLY HA3 H 1 3.7395 0.04 . 2 . . . A 24 GLY HA3 . 18749 1 214 . 1 1 24 24 GLY C C 13 173.367 0.5 . 1 . . . A 24 GLY C . 18749 1 215 . 1 1 24 24 GLY CA C 13 46.222 0.5 . 1 . . . A 24 GLY CA . 18749 1 216 . 1 1 24 24 GLY N N 15 111.898 0.3 . 1 . . . A 24 GLY N . 18749 1 217 . 1 1 25 25 ASN H H 1 7.781 0.04 . 1 . . . A 25 ASN H . 18749 1 218 . 1 1 25 25 ASN HA H 1 4.763 0.04 . 1 . . . A 25 ASN HA . 18749 1 219 . 1 1 25 25 ASN HB2 H 1 2.576 0.04 . 2 . . . A 25 ASN HB2 . 18749 1 220 . 1 1 25 25 ASN HB3 H 1 2.2915 0.04 . 2 . . . A 25 ASN HB3 . 18749 1 221 . 1 1 25 25 ASN C C 13 174.631 0.5 . 1 . . . A 25 ASN C . 18749 1 222 . 1 1 25 25 ASN CA C 13 51.9005 0.5 . 1 . . . A 25 ASN CA . 18749 1 223 . 1 1 25 25 ASN CB C 13 40.66575 0.5 . 1 . . . A 25 ASN CB . 18749 1 224 . 1 1 25 25 ASN N N 15 117.684 0.3 . 1 . . . A 25 ASN N . 18749 1 225 . 1 1 26 26 ASN H H 1 8.562 0.04 . 1 . . . A 26 ASN H . 18749 1 226 . 1 1 26 26 ASN HA H 1 4.57 0.04 . 1 . . . A 26 ASN HA . 18749 1 227 . 1 1 26 26 ASN HB2 H 1 2.872 0.04 . 2 . . . A 26 ASN HB2 . 18749 1 228 . 1 1 26 26 ASN HB3 H 1 2.872 0.04 . 2 . . . A 26 ASN HB3 . 18749 1 229 . 1 1 26 26 ASN C C 13 175.502 0.5 . 1 . . . A 26 ASN C . 18749 1 230 . 1 1 26 26 ASN CA C 13 53.98 0.5 . 1 . . . A 26 ASN CA . 18749 1 231 . 1 1 26 26 ASN CB C 13 38.0665 0.5 . 1 . . . A 26 ASN CB . 18749 1 232 . 1 1 26 26 ASN N N 15 118.294 0.3 . 1 . . . A 26 ASN N . 18749 1 233 . 1 1 27 27 ALA H H 1 8.217 0.04 . 1 . . . A 27 ALA H . 18749 1 234 . 1 1 27 27 ALA HB1 H 1 0.748 0.04 . 1 . . . A 27 ALA HB1 . 18749 1 235 . 1 1 27 27 ALA HB2 H 1 0.748 0.04 . 1 . . . A 27 ALA HB2 . 18749 1 236 . 1 1 27 27 ALA HB3 H 1 0.748 0.04 . 1 . . . A 27 ALA HB3 . 18749 1 237 . 1 1 27 27 ALA C C 13 177.92 0.5 . 1 . . . A 27 ALA C . 18749 1 238 . 1 1 27 27 ALA CA C 13 53.567 0.5 . 1 . . . A 27 ALA CA . 18749 1 239 . 1 1 27 27 ALA CB C 13 18.85225 0.5 . 1 . . . A 27 ALA CB . 18749 1 240 . 1 1 27 27 ALA N N 15 126.538 0.3 . 1 . . . A 27 ALA N . 18749 1 241 . 1 1 28 28 GLU H H 1 8.608 0.04 . 1 . . . A 28 GLU H . 18749 1 242 . 1 1 28 28 GLU HA H 1 4.099 0.04 . 1 . . . A 28 GLU HA . 18749 1 243 . 1 1 28 28 GLU HG2 H 1 2.138 0.04 . 2 . . . A 28 GLU HG2 . 18749 1 244 . 1 1 28 28 GLU HG3 H 1 2.138 0.04 . 2 . . . A 28 GLU HG3 . 18749 1 245 . 1 1 28 28 GLU C C 13 177.423 0.5 . 1 . . . A 28 GLU C . 18749 1 246 . 1 1 28 28 GLU CA C 13 57.783 0.5 . 1 . . . A 28 GLU CA . 18749 1 247 . 1 1 28 28 GLU CB C 13 30.926 0.5 . 1 . . . A 28 GLU CB . 18749 1 248 . 1 1 28 28 GLU CG C 13 37.655 0.5 . 1 . . . A 28 GLU CG . 18749 1 249 . 1 1 28 28 GLU N N 15 112.911 0.3 . 1 . . . A 28 GLU N . 18749 1 250 . 1 1 29 29 ASP H H 1 7.272 0.04 . 1 . . . A 29 ASP H . 18749 1 251 . 1 1 29 29 ASP HA H 1 4.434 0.04 . 1 . . . A 29 ASP HA . 18749 1 252 . 1 1 29 29 ASP HB2 H 1 2.401 0.04 . 2 . . . A 29 ASP HB2 . 18749 1 253 . 1 1 29 29 ASP HB3 H 1 2.401 0.04 . 2 . . . A 29 ASP HB3 . 18749 1 254 . 1 1 29 29 ASP C C 13 174.486 0.5 . 1 . . . A 29 ASP C . 18749 1 255 . 1 1 29 29 ASP CA C 13 55.34925 0.5 . 1 . . . A 29 ASP CA . 18749 1 256 . 1 1 29 29 ASP CB C 13 42.59625 0.5 . 1 . . . A 29 ASP CB . 18749 1 257 . 1 1 29 29 ASP N N 15 116.209 0.3 . 1 . . . A 29 ASP N . 18749 1 258 . 1 1 30 30 TYR H H 1 7.281 0.04 . 1 . . . A 30 TYR H . 18749 1 259 . 1 1 30 30 TYR HB2 H 1 3.308 0.04 . 2 . . . A 30 TYR HB2 . 18749 1 260 . 1 1 30 30 TYR HB3 H 1 2.558 0.04 . 2 . . . A 30 TYR HB3 . 18749 1 261 . 1 1 30 30 TYR CA C 13 57.018 0.5 . 1 . . . A 30 TYR CA . 18749 1 262 . 1 1 30 30 TYR CB C 13 43.459 0.5 . 1 . . . A 30 TYR CB . 18749 1 263 . 1 1 30 30 TYR N N 15 116.344 0.3 . 1 . . . A 30 TYR N . 18749 1 264 . 1 1 31 31 LYS C C 13 177.018 0.5 . 1 . . . A 31 LYS C . 18749 1 265 . 1 1 32 32 HIS H H 1 7.691 0.04 . 1 . . . A 32 HIS H . 18749 1 266 . 1 1 32 32 HIS HA H 1 3.802 0.04 . 1 . . . A 32 HIS HA . 18749 1 267 . 1 1 32 32 HIS HB2 H 1 1.944 0.04 . 2 . . . A 32 HIS HB2 . 18749 1 268 . 1 1 32 32 HIS HB3 H 1 1.944 0.04 . 2 . . . A 32 HIS HB3 . 18749 1 269 . 1 1 32 32 HIS C C 13 173.979 0.5 . 1 . . . A 32 HIS C . 18749 1 270 . 1 1 32 32 HIS CA C 13 55.1355 0.5 . 1 . . . A 32 HIS CA . 18749 1 271 . 1 1 32 32 HIS CB C 13 33.12775 0.5 . 1 . . . A 32 HIS CB . 18749 1 272 . 1 1 32 32 HIS N N 15 116.17 0.3 . 1 . . . A 32 HIS N . 18749 1 273 . 1 1 33 33 THR H H 1 8.051 0.04 . 1 . . . A 33 THR H . 18749 1 274 . 1 1 33 33 THR HA H 1 4.424 0.04 . 1 . . . A 33 THR HA . 18749 1 275 . 1 1 33 33 THR HG21 H 1 1.114 0.04 . 1 . . . A 33 THR HG21 . 18749 1 276 . 1 1 33 33 THR HG22 H 1 1.114 0.04 . 1 . . . A 33 THR HG22 . 18749 1 277 . 1 1 33 33 THR HG23 H 1 1.114 0.04 . 1 . . . A 33 THR HG23 . 18749 1 278 . 1 1 33 33 THR C C 13 175.107 0.5 . 1 . . . A 33 THR C . 18749 1 279 . 1 1 33 33 THR CA C 13 60.21825 0.5 . 1 . . . A 33 THR CA . 18749 1 280 . 1 1 33 33 THR CB C 13 69.476 0.5 . 1 . . . A 33 THR CB . 18749 1 281 . 1 1 33 33 THR N N 15 108.605 0.3 . 1 . . . A 33 THR N . 18749 1 282 . 1 1 34 34 ASP H H 1 7.973 0.04 . 1 . . . A 34 ASP H . 18749 1 283 . 1 1 34 34 ASP HA H 1 4.5895 0.04 . 1 . . . A 34 ASP HA . 18749 1 284 . 1 1 34 34 ASP HB2 H 1 3.002 0.04 . 2 . . . A 34 ASP HB2 . 18749 1 285 . 1 1 34 34 ASP HB3 H 1 2.745 0.04 . 2 . . . A 34 ASP HB3 . 18749 1 286 . 1 1 34 34 ASP C C 13 175.334 0.5 . 1 . . . A 34 ASP C . 18749 1 287 . 1 1 34 34 ASP CA C 13 53.56375 0.5 . 1 . . . A 34 ASP CA . 18749 1 288 . 1 1 34 34 ASP CB C 13 40.42025 0.5 . 1 . . . A 34 ASP CB . 18749 1 289 . 1 1 34 34 ASP N N 15 121.404 0.3 . 1 . . . A 34 ASP N . 18749 1 290 . 1 1 35 35 MET H H 1 7.585 0.04 . 1 . . . A 35 MET H . 18749 1 291 . 1 1 35 35 MET HA H 1 4.398 0.04 . 1 . . . A 35 MET HA . 18749 1 292 . 1 1 35 35 MET HB2 H 1 1.732 0.04 . 2 . . . A 35 MET HB2 . 18749 1 293 . 1 1 35 35 MET HB3 H 1 1.732 0.04 . 2 . . . A 35 MET HB3 . 18749 1 294 . 1 1 35 35 MET HG2 H 1 2.3435 0.04 . 2 . . . A 35 MET HG2 . 18749 1 295 . 1 1 35 35 MET HG3 H 1 2.3435 0.04 . 2 . . . A 35 MET HG3 . 18749 1 296 . 1 1 35 35 MET HE1 H 1 1.525 0.04 . 1 . . . A 35 MET HE1 . 18749 1 297 . 1 1 35 35 MET HE2 H 1 1.525 0.04 . 1 . . . A 35 MET HE2 . 18749 1 298 . 1 1 35 35 MET HE3 H 1 1.525 0.04 . 1 . . . A 35 MET HE3 . 18749 1 299 . 1 1 35 35 MET C C 13 174.846 0.5 . 1 . . . A 35 MET C . 18749 1 300 . 1 1 35 35 MET CA C 13 55.631 0.5 . 1 . . . A 35 MET CA . 18749 1 301 . 1 1 35 35 MET CB C 13 33.382 0.5 . 1 . . . A 35 MET CB . 18749 1 302 . 1 1 35 35 MET CG C 13 32.353 0.5 . 1 . . . A 35 MET CG . 18749 1 303 . 1 1 35 35 MET N N 15 119.898 0.3 . 1 . . . A 35 MET N . 18749 1 304 . 1 1 36 36 ASP H H 1 8.36 0.04 . 1 . . . A 36 ASP H . 18749 1 305 . 1 1 36 36 ASP HA H 1 4.486 0.04 . 1 . . . A 36 ASP HA . 18749 1 306 . 1 1 36 36 ASP HB2 H 1 2.57 0.04 . 2 . . . A 36 ASP HB2 . 18749 1 307 . 1 1 36 36 ASP HB3 H 1 2.57 0.04 . 2 . . . A 36 ASP HB3 . 18749 1 308 . 1 1 36 36 ASP C C 13 176.456 0.5 . 1 . . . A 36 ASP C . 18749 1 309 . 1 1 36 36 ASP CA C 13 54.279 0.5 . 1 . . . A 36 ASP CA . 18749 1 310 . 1 1 36 36 ASP CB C 13 41.156 0.5 . 1 . . . A 36 ASP CB . 18749 1 311 . 1 1 36 36 ASP N N 15 123.631 0.3 . 1 . . . A 36 ASP N . 18749 1 312 . 1 1 37 37 LEU H H 1 8.224 0.04 . 1 . . . A 37 LEU H . 18749 1 313 . 1 1 37 37 LEU HA H 1 4.303 0.04 . 1 . . . A 37 LEU HA . 18749 1 314 . 1 1 37 37 LEU HD11 H 1 0.792 0.04 . 2 . . . A 37 LEU HD11 . 18749 1 315 . 1 1 37 37 LEU HD12 H 1 0.792 0.04 . 2 . . . A 37 LEU HD12 . 18749 1 316 . 1 1 37 37 LEU HD13 H 1 0.792 0.04 . 2 . . . A 37 LEU HD13 . 18749 1 317 . 1 1 37 37 LEU HD21 H 1 0.792 0.04 . 2 . . . A 37 LEU HD21 . 18749 1 318 . 1 1 37 37 LEU HD22 H 1 0.792 0.04 . 2 . . . A 37 LEU HD22 . 18749 1 319 . 1 1 37 37 LEU HD23 H 1 0.792 0.04 . 2 . . . A 37 LEU HD23 . 18749 1 320 . 1 1 37 37 LEU C C 13 177.554 0.5 . 1 . . . A 37 LEU C . 18749 1 321 . 1 1 37 37 LEU CA C 13 55.317 0.5 . 1 . . . A 37 LEU CA . 18749 1 322 . 1 1 37 37 LEU CB C 13 41.945 0.5 . 1 . . . A 37 LEU CB . 18749 1 323 . 1 1 37 37 LEU CG C 13 26.995 0.5 . 1 . . . A 37 LEU CG . 18749 1 324 . 1 1 37 37 LEU CD1 C 13 25.388 0.5 . 2 . . . A 37 LEU CD1 . 18749 1 325 . 1 1 37 37 LEU CD2 C 13 23.235 0.5 . 2 . . . A 37 LEU CD2 . 18749 1 326 . 1 1 37 37 LEU N N 15 123.812 0.3 . 1 . . . A 37 LEU N . 18749 1 327 . 1 1 38 38 THR H H 1 8.321 0.04 . 1 . . . A 38 THR H . 18749 1 328 . 1 1 38 38 THR HA H 1 4.153 0.04 . 1 . . . A 38 THR HA . 18749 1 329 . 1 1 38 38 THR HB H 1 4.029 0.04 . 1 . . . A 38 THR HB . 18749 1 330 . 1 1 38 38 THR HG21 H 1 1.001 0.04 . 1 . . . A 38 THR HG21 . 18749 1 331 . 1 1 38 38 THR HG22 H 1 1.001 0.04 . 1 . . . A 38 THR HG22 . 18749 1 332 . 1 1 38 38 THR HG23 H 1 1.001 0.04 . 1 . . . A 38 THR HG23 . 18749 1 333 . 1 1 38 38 THR C C 13 174.786 0.5 . 1 . . . A 38 THR C . 18749 1 334 . 1 1 38 38 THR CA C 13 62.673 0.5 . 1 . . . A 38 THR CA . 18749 1 335 . 1 1 38 38 THR CB C 13 69.79225 0.5 . 1 . . . A 38 THR CB . 18749 1 336 . 1 1 38 38 THR N N 15 113.723 0.3 . 1 . . . A 38 THR N . 18749 1 337 . 1 1 39 39 TYR H H 1 7.92 0.04 . 1 . . . A 39 TYR H . 18749 1 338 . 1 1 39 39 TYR HB2 H 1 2.921 0.04 . 2 . . . A 39 TYR HB2 . 18749 1 339 . 1 1 39 39 TYR HB3 H 1 2.921 0.04 . 2 . . . A 39 TYR HB3 . 18749 1 340 . 1 1 39 39 TYR C C 13 175.992 0.5 . 1 . . . A 39 TYR C . 18749 1 341 . 1 1 39 39 TYR CA C 13 58.083 0.5 . 1 . . . A 39 TYR CA . 18749 1 342 . 1 1 39 39 TYR CB C 13 38.3085 0.5 . 1 . . . A 39 TYR CB . 18749 1 343 . 1 1 39 39 TYR N N 15 121.098 0.3 . 1 . . . A 39 TYR N . 18749 1 344 . 1 1 40 40 THR H H 1 7.885 0.04 . 1 . . . A 40 THR H . 18749 1 345 . 1 1 40 40 THR HB H 1 4.231 0.04 . 1 . . . A 40 THR HB . 18749 1 346 . 1 1 40 40 THR HG21 H 1 1.063 0.04 . 1 . . . A 40 THR HG21 . 18749 1 347 . 1 1 40 40 THR HG22 H 1 1.063 0.04 . 1 . . . A 40 THR HG22 . 18749 1 348 . 1 1 40 40 THR HG23 H 1 1.063 0.04 . 1 . . . A 40 THR HG23 . 18749 1 349 . 1 1 40 40 THR C C 13 174.356 0.5 . 1 . . . A 40 THR C . 18749 1 350 . 1 1 40 40 THR CA C 13 61.8015 0.5 . 1 . . . A 40 THR CA . 18749 1 351 . 1 1 40 40 THR CB C 13 69.96475 0.5 . 1 . . . A 40 THR CB . 18749 1 352 . 1 1 40 40 THR N N 15 113.38 0.3 . 1 . . . A 40 THR N . 18749 1 353 . 1 1 41 41 ASP H H 1 8.184 0.04 . 1 . . . A 41 ASP H . 18749 1 354 . 1 1 41 41 ASP HA H 1 4.468 0.04 . 1 . . . A 41 ASP HA . 18749 1 355 . 1 1 41 41 ASP HB2 H 1 2.654 0.04 . 2 . . . A 41 ASP HB2 . 18749 1 356 . 1 1 41 41 ASP HB3 H 1 2.654 0.04 . 2 . . . A 41 ASP HB3 . 18749 1 357 . 1 1 41 41 ASP C C 13 176.338 0.5 . 1 . . . A 41 ASP C . 18749 1 358 . 1 1 41 41 ASP CA C 13 54.67375 0.5 . 1 . . . A 41 ASP CA . 18749 1 359 . 1 1 41 41 ASP CB C 13 40.996 0.5 . 1 . . . A 41 ASP CB . 18749 1 360 . 1 1 41 41 ASP N N 15 121.537 0.3 . 1 . . . A 41 ASP N . 18749 1 361 . 1 1 42 42 ARG H H 1 7.997 0.04 . 1 . . . A 42 ARG H . 18749 1 362 . 1 1 42 42 ARG HA H 1 4.1715 0.04 . 1 . . . A 42 ARG HA . 18749 1 363 . 1 1 42 42 ARG HB2 H 1 1.727 0.04 . 2 . . . A 42 ARG HB2 . 18749 1 364 . 1 1 42 42 ARG HB3 H 1 1.727 0.04 . 2 . . . A 42 ARG HB3 . 18749 1 365 . 1 1 42 42 ARG HG2 H 1 1.535 0.04 . 2 . . . A 42 ARG HG2 . 18749 1 366 . 1 1 42 42 ARG HG3 H 1 1.535 0.04 . 2 . . . A 42 ARG HG3 . 18749 1 367 . 1 1 42 42 ARG HD2 H 1 3.068 0.04 . 2 . . . A 42 ARG HD2 . 18749 1 368 . 1 1 42 42 ARG HD3 H 1 3.068 0.04 . 2 . . . A 42 ARG HD3 . 18749 1 369 . 1 1 42 42 ARG C C 13 175.906 0.5 . 1 . . . A 42 ARG C . 18749 1 370 . 1 1 42 42 ARG CA C 13 56.644 0.5 . 1 . . . A 42 ARG CA . 18749 1 371 . 1 1 42 42 ARG CB C 13 30.788 0.5 . 1 . . . A 42 ARG CB . 18749 1 372 . 1 1 42 42 ARG CG C 13 26.924 0.5 . 1 . . . A 42 ARG CG . 18749 1 373 . 1 1 42 42 ARG CD C 13 43.459 0.5 . 1 . . . A 42 ARG CD . 18749 1 374 . 1 1 42 42 ARG N N 15 119.745 0.3 . 1 . . . A 42 ARG N . 18749 1 375 . 1 1 43 43 ASP H H 1 8.181 0.04 . 1 . . . A 43 ASP H . 18749 1 376 . 1 1 43 43 ASP HA H 1 4.503 0.04 . 1 . . . A 43 ASP HA . 18749 1 377 . 1 1 43 43 ASP HB2 H 1 2.526 0.04 . 2 . . . A 43 ASP HB2 . 18749 1 378 . 1 1 43 43 ASP HB3 H 1 2.526 0.04 . 2 . . . A 43 ASP HB3 . 18749 1 379 . 1 1 43 43 ASP C C 13 175.599 0.5 . 1 . . . A 43 ASP C . 18749 1 380 . 1 1 43 43 ASP CA C 13 54.3685 0.5 . 1 . . . A 43 ASP CA . 18749 1 381 . 1 1 43 43 ASP CB C 13 41.07125 0.5 . 1 . . . A 43 ASP CB . 18749 1 382 . 1 1 43 43 ASP N N 15 119.314 0.3 . 1 . . . A 43 ASP N . 18749 1 383 . 1 1 44 44 TYR H H 1 7.806 0.04 . 1 . . . A 44 TYR H . 18749 1 384 . 1 1 44 44 TYR HA H 1 4.324 0.04 . 1 . . . A 44 TYR HA . 18749 1 385 . 1 1 44 44 TYR HB2 H 1 2.9275 0.04 . 2 . . . A 44 TYR HB2 . 18749 1 386 . 1 1 44 44 TYR HB3 H 1 2.9275 0.04 . 2 . . . A 44 TYR HB3 . 18749 1 387 . 1 1 44 44 TYR C C 13 175.321 0.5 . 1 . . . A 44 TYR C . 18749 1 388 . 1 1 44 44 TYR CA C 13 58.5525 0.5 . 1 . . . A 44 TYR CA . 18749 1 389 . 1 1 44 44 TYR CB C 13 38.61375 0.5 . 1 . . . A 44 TYR CB . 18749 1 390 . 1 1 44 44 TYR N N 15 120.178 0.3 . 1 . . . A 44 TYR N . 18749 1 391 . 1 1 45 45 LYS H H 1 7.731 0.04 . 1 . . . A 45 LYS H . 18749 1 392 . 1 1 45 45 LYS CA C 13 55.745 0.5 . 1 . . . A 45 LYS CA . 18749 1 393 . 1 1 45 45 LYS CB C 13 33.789 0.5 . 1 . . . A 45 LYS CB . 18749 1 394 . 1 1 45 45 LYS N N 15 123.353 0.3 . 1 . . . A 45 LYS N . 18749 1 395 . 1 1 47 47 CYS H H 1 8.811 0.04 . 1 . . . A 47 CYS H . 18749 1 396 . 1 1 47 47 CYS N N 15 125.06 0.3 . 1 . . . A 47 CYS N . 18749 1 397 . 1 1 48 48 GLU C C 13 178.473 0.5 . 1 . . . A 48 GLU C . 18749 1 398 . 1 1 49 49 SER H H 1 8.737 0.04 . 1 . . . A 49 SER H . 18749 1 399 . 1 1 49 49 SER C C 13 172.276 0.5 . 1 . . . A 49 SER C . 18749 1 400 . 1 1 49 49 SER CA C 13 61.125 0.5 . 1 . . . A 49 SER CA . 18749 1 401 . 1 1 49 49 SER CB C 13 63.2235 0.5 . 1 . . . A 49 SER CB . 18749 1 402 . 1 1 49 49 SER N N 15 120.359 0.3 . 1 . . . A 49 SER N . 18749 1 403 . 1 1 50 50 TYR H H 1 6.326 0.04 . 1 . . . A 50 TYR H . 18749 1 404 . 1 1 50 50 TYR C C 13 175.624 0.5 . 1 . . . A 50 TYR C . 18749 1 405 . 1 1 50 50 TYR CA C 13 59.205 0.5 . 1 . . . A 50 TYR CA . 18749 1 406 . 1 1 50 50 TYR CB C 13 38.1965 0.5 . 1 . . . A 50 TYR CB . 18749 1 407 . 1 1 50 50 TYR N N 15 110.556 0.3 . 1 . . . A 50 TYR N . 18749 1 408 . 1 1 51 51 HIS H H 1 5.89 0.04 . 1 . . . A 51 HIS H . 18749 1 409 . 1 1 51 51 HIS HA H 1 3.757 0.04 . 1 . . . A 51 HIS HA . 18749 1 410 . 1 1 51 51 HIS C C 13 176.588 0.5 . 1 . . . A 51 HIS C . 18749 1 411 . 1 1 51 51 HIS CA C 13 59.323 0.5 . 1 . . . A 51 HIS CA . 18749 1 412 . 1 1 51 51 HIS CB C 13 27.5135 0.5 . 1 . . . A 51 HIS CB . 18749 1 413 . 1 1 51 51 HIS N N 15 119.871 0.3 . 1 . . . A 51 HIS N . 18749 1 414 . 1 1 52 52 LYS H H 1 7.66 0.04 . 1 . . . A 52 LYS H . 18749 1 415 . 1 1 52 52 LYS C C 13 178.958 0.5 . 1 . . . A 52 LYS C . 18749 1 416 . 1 1 52 52 LYS CA C 13 58.9215 0.5 . 1 . . . A 52 LYS CA . 18749 1 417 . 1 1 52 52 LYS CB C 13 31.2915 0.5 . 1 . . . A 52 LYS CB . 18749 1 418 . 1 1 52 52 LYS N N 15 122.505 0.3 . 1 . . . A 52 LYS N . 18749 1 419 . 1 1 53 53 CYS H H 1 8.256 0.04 . 1 . . . A 53 CYS H . 18749 1 420 . 1 1 53 53 CYS HB2 H 1 3.159 0.04 . 2 . . . A 53 CYS HB2 . 18749 1 421 . 1 1 53 53 CYS HB3 H 1 2.863 0.04 . 2 . . . A 53 CYS HB3 . 18749 1 422 . 1 1 53 53 CYS C C 13 179.241 0.5 . 1 . . . A 53 CYS C . 18749 1 423 . 1 1 53 53 CYS CA C 13 64.8025 0.5 . 1 . . . A 53 CYS CA . 18749 1 424 . 1 1 53 53 CYS CB C 13 30.90625 0.5 . 1 . . . A 53 CYS CB . 18749 1 425 . 1 1 53 53 CYS N N 15 117.268 0.3 . 1 . . . A 53 CYS N . 18749 1 426 . 1 1 54 54 SER H H 1 7.671 0.04 . 1 . . . A 54 SER H . 18749 1 427 . 1 1 54 54 SER HA H 1 3.839 0.04 . 1 . . . A 54 SER HA . 18749 1 428 . 1 1 54 54 SER HB2 H 1 3.574 0.04 . 2 . . . A 54 SER HB2 . 18749 1 429 . 1 1 54 54 SER HB3 H 1 3.394 0.04 . 2 . . . A 54 SER HB3 . 18749 1 430 . 1 1 54 54 SER C C 13 175.922 0.5 . 1 . . . A 54 SER C . 18749 1 431 . 1 1 54 54 SER CA C 13 60.263 0.5 . 1 . . . A 54 SER CA . 18749 1 432 . 1 1 54 54 SER CB C 13 64.1195 0.5 . 1 . . . A 54 SER CB . 18749 1 433 . 1 1 54 54 SER N N 15 111.716 0.3 . 1 . . . A 54 SER N . 18749 1 434 . 1 1 55 55 ASP H H 1 7.438 0.04 . 1 . . . A 55 ASP H . 18749 1 435 . 1 1 55 55 ASP HA H 1 4.295 0.04 . 1 . . . A 55 ASP HA . 18749 1 436 . 1 1 55 55 ASP HB2 H 1 2.788 0.04 . 2 . . . A 55 ASP HB2 . 18749 1 437 . 1 1 55 55 ASP HB3 H 1 2.577 0.04 . 2 . . . A 55 ASP HB3 . 18749 1 438 . 1 1 55 55 ASP C C 13 178.101 0.5 . 1 . . . A 55 ASP C . 18749 1 439 . 1 1 55 55 ASP CA C 13 57.387 0.5 . 1 . . . A 55 ASP CA . 18749 1 440 . 1 1 55 55 ASP CB C 13 40.31475 0.5 . 1 . . . A 55 ASP CB . 18749 1 441 . 1 1 55 55 ASP N N 15 119.056 0.3 . 1 . . . A 55 ASP N . 18749 1 442 . 1 1 56 56 LEU H H 1 7.565 0.04 . 1 . . . A 56 LEU H . 18749 1 443 . 1 1 56 56 LEU HA H 1 4.168 0.04 . 1 . . . A 56 LEU HA . 18749 1 444 . 1 1 56 56 LEU HD11 H 1 0.727 0.04 . 2 . . . A 56 LEU HD11 . 18749 1 445 . 1 1 56 56 LEU HD12 H 1 0.727 0.04 . 2 . . . A 56 LEU HD12 . 18749 1 446 . 1 1 56 56 LEU HD13 H 1 0.727 0.04 . 2 . . . A 56 LEU HD13 . 18749 1 447 . 1 1 56 56 LEU HD21 H 1 0.727 0.04 . 2 . . . A 56 LEU HD21 . 18749 1 448 . 1 1 56 56 LEU HD22 H 1 0.727 0.04 . 2 . . . A 56 LEU HD22 . 18749 1 449 . 1 1 56 56 LEU HD23 H 1 0.727 0.04 . 2 . . . A 56 LEU HD23 . 18749 1 450 . 1 1 56 56 LEU C C 13 176.25 0.5 . 1 . . . A 56 LEU C . 18749 1 451 . 1 1 56 56 LEU CA C 13 55.33275 0.5 . 1 . . . A 56 LEU CA . 18749 1 452 . 1 1 56 56 LEU CB C 13 43.17325 0.5 . 1 . . . A 56 LEU CB . 18749 1 453 . 1 1 56 56 LEU CG C 13 25.857 0.5 . 1 . . . A 56 LEU CG . 18749 1 454 . 1 1 56 56 LEU CD1 C 13 22.475 0.5 . 2 . . . A 56 LEU CD1 . 18749 1 455 . 1 1 56 56 LEU CD2 C 13 22.475 0.5 . 2 . . . A 56 LEU CD2 . 18749 1 456 . 1 1 56 56 LEU N N 15 118.324 0.3 . 1 . . . A 56 LEU N . 18749 1 457 . 1 1 57 57 CYS H H 1 7.265 0.04 . 1 . . . A 57 CYS H . 18749 1 458 . 1 1 57 57 CYS HA H 1 4.255 0.04 . 1 . . . A 57 CYS HA . 18749 1 459 . 1 1 57 57 CYS HB2 H 1 3.339 0.04 . 2 . . . A 57 CYS HB2 . 18749 1 460 . 1 1 57 57 CYS HB3 H 1 3.339 0.04 . 2 . . . A 57 CYS HB3 . 18749 1 461 . 1 1 57 57 CYS C C 13 177.371 0.5 . 1 . . . A 57 CYS C . 18749 1 462 . 1 1 57 57 CYS CA C 13 59.255 0.5 . 1 . . . A 57 CYS CA . 18749 1 463 . 1 1 57 57 CYS CB C 13 30.1285 0.5 . 1 . . . A 57 CYS CB . 18749 1 464 . 1 1 57 57 CYS N N 15 124.095 0.3 . 1 . . . A 57 CYS N . 18749 1 465 . 1 1 58 58 GLN H H 1 9.451 0.04 . 1 . . . A 58 GLN H . 18749 1 466 . 1 1 58 58 GLN HA H 1 3.923 0.04 . 1 . . . A 58 GLN HA . 18749 1 467 . 1 1 58 58 GLN HG2 H 1 2.426 0.04 . 2 . . . A 58 GLN HG2 . 18749 1 468 . 1 1 58 58 GLN HG3 H 1 2.426 0.04 . 2 . . . A 58 GLN HG3 . 18749 1 469 . 1 1 58 58 GLN C C 13 178.435 0.5 . 1 . . . A 58 GLN C . 18749 1 470 . 1 1 58 58 GLN CA C 13 59.28775 0.5 . 1 . . . A 58 GLN CA . 18749 1 471 . 1 1 58 58 GLN CB C 13 28.1945 0.5 . 1 . . . A 58 GLN CB . 18749 1 472 . 1 1 58 58 GLN CG C 13 33.997 0.5 . 1 . . . A 58 GLN CG . 18749 1 473 . 1 1 58 58 GLN N N 15 131.839 0.3 . 1 . . . A 58 GLN N . 18749 1 474 . 1 1 59 59 TYR H H 1 8.699 0.04 . 1 . . . A 59 TYR H . 18749 1 475 . 1 1 59 59 TYR HA H 1 4.4295 0.04 . 1 . . . A 59 TYR HA . 18749 1 476 . 1 1 59 59 TYR HB2 H 1 2.732 0.04 . 2 . . . A 59 TYR HB2 . 18749 1 477 . 1 1 59 59 TYR HB3 H 1 2.085 0.04 . 2 . . . A 59 TYR HB3 . 18749 1 478 . 1 1 59 59 TYR C C 13 178.722 0.5 . 1 . . . A 59 TYR C . 18749 1 479 . 1 1 59 59 TYR CA C 13 60.2955 0.5 . 1 . . . A 59 TYR CA . 18749 1 480 . 1 1 59 59 TYR CB C 13 38.59075 0.5 . 1 . . . A 59 TYR CB . 18749 1 481 . 1 1 59 59 TYR N N 15 124.026 0.3 . 1 . . . A 59 TYR N . 18749 1 482 . 1 1 60 60 CYS H H 1 8.432 0.04 . 1 . . . A 60 CYS H . 18749 1 483 . 1 1 60 60 CYS HA H 1 4.317 0.04 . 1 . . . A 60 CYS HA . 18749 1 484 . 1 1 60 60 CYS HB2 H 1 3.381 0.04 . 2 . . . A 60 CYS HB2 . 18749 1 485 . 1 1 60 60 CYS HB3 H 1 2.924 0.04 . 2 . . . A 60 CYS HB3 . 18749 1 486 . 1 1 60 60 CYS C C 13 176.011 0.5 . 1 . . . A 60 CYS C . 18749 1 487 . 1 1 60 60 CYS CA C 13 64.4985 0.5 . 1 . . . A 60 CYS CA . 18749 1 488 . 1 1 60 60 CYS CB C 13 30.20325 0.5 . 1 . . . A 60 CYS CB . 18749 1 489 . 1 1 60 60 CYS N N 15 122.268 0.3 . 1 . . . A 60 CYS N . 18749 1 490 . 1 1 61 61 ARG H H 1 7.265 0.04 . 1 . . . A 61 ARG H . 18749 1 491 . 1 1 61 61 ARG HA H 1 3.895 0.04 . 1 . . . A 61 ARG HA . 18749 1 492 . 1 1 61 61 ARG HG2 H 1 1.623 0.04 . 2 . . . A 61 ARG HG2 . 18749 1 493 . 1 1 61 61 ARG HG3 H 1 1.623 0.04 . 2 . . . A 61 ARG HG3 . 18749 1 494 . 1 1 61 61 ARG HD2 H 1 3.069 0.04 . 2 . . . A 61 ARG HD2 . 18749 1 495 . 1 1 61 61 ARG HD3 H 1 3.069 0.04 . 2 . . . A 61 ARG HD3 . 18749 1 496 . 1 1 61 61 ARG C C 13 176.965 0.5 . 1 . . . A 61 ARG C . 18749 1 497 . 1 1 61 61 ARG CA C 13 58.3355 0.5 . 1 . . . A 61 ARG CA . 18749 1 498 . 1 1 61 61 ARG CB C 13 29.7715 0.5 . 1 . . . A 61 ARG CB . 18749 1 499 . 1 1 61 61 ARG CG C 13 27.378 0.5 . 1 . . . A 61 ARG CG . 18749 1 500 . 1 1 61 61 ARG CD C 13 43.319 0.5 . 1 . . . A 61 ARG CD . 18749 1 501 . 1 1 61 61 ARG N N 15 116.449 0.3 . 1 . . . A 61 ARG N . 18749 1 502 . 1 1 62 62 TYR H H 1 7.259 0.04 . 1 . . . A 62 TYR H . 18749 1 503 . 1 1 62 62 TYR HA H 1 4.469 0.04 . 1 . . . A 62 TYR HA . 18749 1 504 . 1 1 62 62 TYR HB2 H 1 2.955 0.04 . 2 . . . A 62 TYR HB2 . 18749 1 505 . 1 1 62 62 TYR HB3 H 1 2.778 0.04 . 2 . . . A 62 TYR HB3 . 18749 1 506 . 1 1 62 62 TYR C C 13 175.562 0.5 . 1 . . . A 62 TYR C . 18749 1 507 . 1 1 62 62 TYR CA C 13 58.5655 0.5 . 1 . . . A 62 TYR CA . 18749 1 508 . 1 1 62 62 TYR CB C 13 39.18175 0.5 . 1 . . . A 62 TYR CB . 18749 1 509 . 1 1 62 62 TYR N N 15 117.341 0.3 . 1 . . . A 62 TYR N . 18749 1 510 . 1 1 63 63 GLN H H 1 7.856 0.04 . 1 . . . A 63 GLN H . 18749 1 511 . 1 1 63 63 GLN HA H 1 4.2105 0.04 . 1 . . . A 63 GLN HA . 18749 1 512 . 1 1 63 63 GLN HB2 H 1 1.706 0.04 . 2 . . . A 63 GLN HB2 . 18749 1 513 . 1 1 63 63 GLN HB3 H 1 1.358 0.04 . 2 . . . A 63 GLN HB3 . 18749 1 514 . 1 1 63 63 GLN HG2 H 1 2.006 0.04 . 2 . . . A 63 GLN HG2 . 18749 1 515 . 1 1 63 63 GLN HG3 H 1 2.006 0.04 . 2 . . . A 63 GLN HG3 . 18749 1 516 . 1 1 63 63 GLN C C 13 173.076 0.5 . 1 . . . A 63 GLN C . 18749 1 517 . 1 1 63 63 GLN CA C 13 54.492 0.5 . 1 . . . A 63 GLN CA . 18749 1 518 . 1 1 63 63 GLN CB C 13 29.4015 0.5 . 1 . . . A 63 GLN CB . 18749 1 519 . 1 1 63 63 GLN CG C 13 33.812 0.5 . 1 . . . A 63 GLN CG . 18749 1 520 . 1 1 63 63 GLN N N 15 121.663 0.3 . 1 . . . A 63 GLN N . 18749 1 521 . 1 1 64 64 LYS H H 1 8.204 0.04 . 1 . . . A 64 LYS H . 18749 1 522 . 1 1 64 64 LYS HA H 1 4.301 0.04 . 1 . . . A 64 LYS HA . 18749 1 523 . 1 1 64 64 LYS HB2 H 1 1.732 0.04 . 2 . . . A 64 LYS HB2 . 18749 1 524 . 1 1 64 64 LYS HB3 H 1 1.732 0.04 . 2 . . . A 64 LYS HB3 . 18749 1 525 . 1 1 64 64 LYS HD2 H 1 1.399 0.04 . 2 . . . A 64 LYS HD2 . 18749 1 526 . 1 1 64 64 LYS HD3 H 1 1.399 0.04 . 2 . . . A 64 LYS HD3 . 18749 1 527 . 1 1 64 64 LYS C C 13 177.301 0.5 . 1 . . . A 64 LYS C . 18749 1 528 . 1 1 64 64 LYS CA C 13 58.18175 0.5 . 1 . . . A 64 LYS CA . 18749 1 529 . 1 1 64 64 LYS CB C 13 32.5135 0.5 . 1 . . . A 64 LYS CB . 18749 1 530 . 1 1 64 64 LYS CG C 13 24.642 0.5 . 1 . . . A 64 LYS CG . 18749 1 531 . 1 1 64 64 LYS CD C 13 29.546 0.5 . 1 . . . A 64 LYS CD . 18749 1 532 . 1 1 64 64 LYS N N 15 127.668 0.3 . 1 . . . A 64 LYS N . 18749 1 533 . 1 1 65 65 ASP H H 1 8.677 0.04 . 1 . . . A 65 ASP H . 18749 1 534 . 1 1 65 65 ASP HB2 H 1 2.5175 0.04 . 2 . . . A 65 ASP HB2 . 18749 1 535 . 1 1 65 65 ASP HB3 H 1 2.265 0.04 . 2 . . . A 65 ASP HB3 . 18749 1 536 . 1 1 65 65 ASP C C 13 174.529 0.5 . 1 . . . A 65 ASP C . 18749 1 537 . 1 1 65 65 ASP CA C 13 53.23175 0.5 . 1 . . . A 65 ASP CA . 18749 1 538 . 1 1 65 65 ASP CB C 13 41.22225 0.5 . 1 . . . A 65 ASP CB . 18749 1 539 . 1 1 65 65 ASP N N 15 131.04 0.3 . 1 . . . A 65 ASP N . 18749 1 540 . 1 1 66 66 LEU H H 1 8.733 0.04 . 1 . . . A 66 LEU H . 18749 1 541 . 1 1 66 66 LEU HA H 1 4.088 0.04 . 1 . . . A 66 LEU HA . 18749 1 542 . 1 1 66 66 LEU HB2 H 1 1.764 0.04 . 2 . . . A 66 LEU HB2 . 18749 1 543 . 1 1 66 66 LEU HB3 H 1 1.454 0.04 . 2 . . . A 66 LEU HB3 . 18749 1 544 . 1 1 66 66 LEU HD11 H 1 0.953 0.04 . 2 . . . A 66 LEU HD11 . 18749 1 545 . 1 1 66 66 LEU HD12 H 1 0.953 0.04 . 2 . . . A 66 LEU HD12 . 18749 1 546 . 1 1 66 66 LEU HD13 H 1 0.953 0.04 . 2 . . . A 66 LEU HD13 . 18749 1 547 . 1 1 66 66 LEU HD21 H 1 0.953 0.04 . 2 . . . A 66 LEU HD21 . 18749 1 548 . 1 1 66 66 LEU HD22 H 1 0.953 0.04 . 2 . . . A 66 LEU HD22 . 18749 1 549 . 1 1 66 66 LEU HD23 H 1 0.953 0.04 . 2 . . . A 66 LEU HD23 . 18749 1 550 . 1 1 66 66 LEU C C 13 178.676 0.5 . 1 . . . A 66 LEU C . 18749 1 551 . 1 1 66 66 LEU CA C 13 57.83575 0.5 . 1 . . . A 66 LEU CA . 18749 1 552 . 1 1 66 66 LEU CB C 13 43.196 0.5 . 1 . . . A 66 LEU CB . 18749 1 553 . 1 1 66 66 LEU CD1 C 13 25.628 0.5 . 2 . . . A 66 LEU CD1 . 18749 1 554 . 1 1 66 66 LEU CD2 C 13 25.628 0.5 . 2 . . . A 66 LEU CD2 . 18749 1 555 . 1 1 66 66 LEU N N 15 125.688 0.3 . 1 . . . A 66 LEU N . 18749 1 556 . 1 1 67 67 ALA H H 1 8.076 0.04 . 1 . . . A 67 ALA H . 18749 1 557 . 1 1 67 67 ALA HB1 H 1 1.388 0.04 . 1 . . . A 67 ALA HB1 . 18749 1 558 . 1 1 67 67 ALA HB2 H 1 1.388 0.04 . 1 . . . A 67 ALA HB2 . 18749 1 559 . 1 1 67 67 ALA HB3 H 1 1.388 0.04 . 1 . . . A 67 ALA HB3 . 18749 1 560 . 1 1 67 67 ALA C C 13 180.513 0.5 . 1 . . . A 67 ALA C . 18749 1 561 . 1 1 67 67 ALA CA C 13 55.1505 0.5 . 1 . . . A 67 ALA CA . 18749 1 562 . 1 1 67 67 ALA CB C 13 18.11825 0.5 . 1 . . . A 67 ALA CB . 18749 1 563 . 1 1 67 67 ALA N N 15 119.916 0.3 . 1 . . . A 67 ALA N . 18749 1 564 . 1 1 68 68 ILE H H 1 7.342 0.04 . 1 . . . A 68 ILE H . 18749 1 565 . 1 1 68 68 ILE HA H 1 3.6595 0.04 . 1 . . . A 68 ILE HA . 18749 1 566 . 1 1 68 68 ILE HG12 H 1 1.194 0.04 . 2 . . . A 68 ILE HG12 . 18749 1 567 . 1 1 68 68 ILE HG13 H 1 0.953 0.04 . 2 . . . A 68 ILE HG13 . 18749 1 568 . 1 1 68 68 ILE HG21 H 1 0.65 0.04 . 1 . . . A 68 ILE HG21 . 18749 1 569 . 1 1 68 68 ILE HG22 H 1 0.65 0.04 . 1 . . . A 68 ILE HG22 . 18749 1 570 . 1 1 68 68 ILE HG23 H 1 0.65 0.04 . 1 . . . A 68 ILE HG23 . 18749 1 571 . 1 1 68 68 ILE HD11 H 1 0.212 0.04 . 1 . . . A 68 ILE HD11 . 18749 1 572 . 1 1 68 68 ILE HD12 H 1 0.212 0.04 . 1 . . . A 68 ILE HD12 . 18749 1 573 . 1 1 68 68 ILE HD13 H 1 0.212 0.04 . 1 . . . A 68 ILE HD13 . 18749 1 574 . 1 1 68 68 ILE C C 13 177.647 0.5 . 1 . . . A 68 ILE C . 18749 1 575 . 1 1 68 68 ILE CA C 13 63.2675 0.5 . 1 . . . A 68 ILE CA . 18749 1 576 . 1 1 68 68 ILE CB C 13 37.338 0.5 . 1 . . . A 68 ILE CB . 18749 1 577 . 1 1 68 68 ILE CG1 C 13 29.063 0.5 . 1 . . . A 68 ILE CG1 . 18749 1 578 . 1 1 68 68 ILE N N 15 119.735 0.3 . 1 . . . A 68 ILE N . 18749 1 579 . 1 1 69 69 HIS H H 1 6.608 0.04 . 1 . . . A 69 HIS H . 18749 1 580 . 1 1 69 69 HIS HA H 1 4.303 0.04 . 1 . . . A 69 HIS HA . 18749 1 581 . 1 1 69 69 HIS CA C 13 59.224 0.5 . 1 . . . A 69 HIS CA . 18749 1 582 . 1 1 69 69 HIS CB C 13 28.569 0.5 . 1 . . . A 69 HIS CB . 18749 1 583 . 1 1 69 69 HIS N N 15 119.542 0.3 . 1 . . . A 69 HIS N . 18749 1 584 . 1 1 84 84 GLY HA2 H 1 3.948 0.04 . 2 . . . A 84 GLY HA2 . 18749 1 585 . 1 1 84 84 GLY HA3 H 1 3.948 0.04 . 2 . . . A 84 GLY HA3 . 18749 1 586 . 1 1 84 84 GLY C C 13 174.391 0.5 . 1 . . . A 84 GLY C . 18749 1 587 . 1 1 84 84 GLY CA C 13 45.472 0.5 . 1 . . . A 84 GLY CA . 18749 1 588 . 1 1 85 85 THR H H 1 8.012 0.04 . 1 . . . A 85 THR H . 18749 1 589 . 1 1 85 85 THR HG21 H 1 1.067 0.04 . 1 . . . A 85 THR HG21 . 18749 1 590 . 1 1 85 85 THR HG22 H 1 1.067 0.04 . 1 . . . A 85 THR HG22 . 18749 1 591 . 1 1 85 85 THR HG23 H 1 1.067 0.04 . 1 . . . A 85 THR HG23 . 18749 1 592 . 1 1 85 85 THR C C 13 175.056 0.5 . 1 . . . A 85 THR C . 18749 1 593 . 1 1 85 85 THR CA C 13 61.9805 0.5 . 1 . . . A 85 THR CA . 18749 1 594 . 1 1 85 85 THR CB C 13 69.868 0.5 . 1 . . . A 85 THR CB . 18749 1 595 . 1 1 85 85 THR N N 15 112.734 0.3 . 1 . . . A 85 THR N . 18749 1 596 . 1 1 86 86 GLY H H 1 8.276 0.04 . 1 . . . A 86 GLY H . 18749 1 597 . 1 1 86 86 GLY HA2 H 1 3.789 0.04 . 2 . . . A 86 GLY HA2 . 18749 1 598 . 1 1 86 86 GLY HA3 H 1 3.789 0.04 . 2 . . . A 86 GLY HA3 . 18749 1 599 . 1 1 86 86 GLY C C 13 172.909 0.5 . 1 . . . A 86 GLY C . 18749 1 600 . 1 1 86 86 GLY CA C 13 45.26775 0.5 . 1 . . . A 86 GLY CA . 18749 1 601 . 1 1 86 86 GLY N N 15 111.173 0.3 . 1 . . . A 86 GLY N . 18749 1 602 . 1 1 87 87 TYR H H 1 7.541 0.04 . 1 . . . A 87 TYR H . 18749 1 603 . 1 1 87 87 TYR HA H 1 4.335 0.04 . 1 . . . A 87 TYR HA . 18749 1 604 . 1 1 87 87 TYR HB2 H 1 2.983 0.04 . 2 . . . A 87 TYR HB2 . 18749 1 605 . 1 1 87 87 TYR HB3 H 1 2.802 0.04 . 2 . . . A 87 TYR HB3 . 18749 1 606 . 1 1 87 87 TYR CA C 13 59.109 0.5 . 1 . . . A 87 TYR CA . 18749 1 607 . 1 1 87 87 TYR CB C 13 39.454 0.5 . 1 . . . A 87 TYR CB . 18749 1 608 . 1 1 87 87 TYR N N 15 124.767 0.3 . 1 . . . A 87 TYR N . 18749 1 stop_ save_