################################### # 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 19237 _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 '2D 1H-1H COSY' . . . 19237 1 2 '2D 1H-1H TOCSY' . . . 19237 1 3 '2D 1H-1H NOESY' . . . 19237 1 4 '2D 1H-15N HSQC' . . . 19237 1 5 '2D 1H-13C HSQC' . . . 19237 1 6 '2D 1H-1H TOCSY' . . . 19237 1 7 '2D 1H-1H NOESY' . . . 19237 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 PCA CA C 13 63.042 . . . . . . B 1 PCA CA . 19237 1 2 . 1 1 1 1 PCA HA H 1 3.734 . . . . . . B 1 PCA HA . 19237 1 3 . 1 1 1 1 PCA HB2 H 1 1.936 . . . . . . B 1 PCA HB2 . 19237 1 4 . 1 1 1 1 PCA HB3 H 1 1.937 . . . . . . B 1 PCA HB3 . 19237 1 5 . 1 1 1 1 PCA HG2 H 1 0.867 . . . . . . B 1 PCA HG2 . 19237 1 6 . 1 1 1 1 PCA HG3 H 1 0.574 . . . . . . B 1 PCA HG3 . 19237 1 7 . 1 1 2 2 ARG H H 1 8.372 . . . . . . B 2 ARG H . 19237 1 8 . 1 1 2 2 ARG HA H 1 4.361 . . . . . . B 2 ARG HA . 19237 1 9 . 1 1 2 2 ARG HB2 H 1 1.924 . . . . . . B 2 ARG HB2 . 19237 1 10 . 1 1 2 2 ARG HB3 H 1 1.796 . . . . . . B 2 ARG HB3 . 19237 1 11 . 1 1 2 2 ARG HG2 H 1 1.924 . . . . . . B 2 ARG HG2 . 19237 1 12 . 1 1 2 2 ARG HG3 H 1 1.703 . . . . . . B 2 ARG HG3 . 19237 1 13 . 1 1 2 2 ARG HD2 H 1 3.243 . . . . . . B 2 ARG HD2 . 19237 1 14 . 1 1 2 2 ARG HD3 H 1 3.243 . . . . . . B 2 ARG HD3 . 19237 1 15 . 1 1 2 2 ARG HE H 1 7.206 . . . . . . B 2 ARG HE . 19237 1 16 . 1 1 3 3 LEU H H 1 8.460 . . . . . . B 3 LEU H . 19237 1 17 . 1 1 3 3 LEU HA H 1 5.129 . . . . . . B 3 LEU HA . 19237 1 18 . 1 1 3 3 LEU HB2 H 1 1.369 . . . . . . B 3 LEU HB2 . 19237 1 19 . 1 1 3 3 LEU HB3 H 1 1.818 . . . . . . B 3 LEU HB3 . 19237 1 20 . 1 1 3 3 LEU HG H 1 1.681 . . . . . . B 3 LEU HG . 19237 1 21 . 1 1 3 3 LEU HD11 H 1 0.682 . . . . . . B 3 LEU HD11 . 19237 1 22 . 1 1 3 3 LEU HD12 H 1 0.682 . . . . . . B 3 LEU HD12 . 19237 1 23 . 1 1 3 3 LEU HD13 H 1 0.682 . . . . . . B 3 LEU HD13 . 19237 1 24 . 1 1 3 3 LEU HD21 H 1 0.694 . . . . . . B 3 LEU HD21 . 19237 1 25 . 1 1 3 3 LEU HD22 H 1 0.694 . . . . . . B 3 LEU HD22 . 19237 1 26 . 1 1 3 3 LEU HD23 H 1 0.694 . . . . . . B 3 LEU HD23 . 19237 1 27 . 1 1 3 3 LEU CA C 13 54.667 . . . . . . B 3 LEU CA . 19237 1 28 . 1 1 3 3 LEU CB C 13 46.077 . . . . . . B 3 LEU CB . 19237 1 29 . 1 1 3 3 LEU CD1 C 13 24.055 . . . . . . B 3 LEU CD1 . 19237 1 30 . 1 1 3 3 LEU CD2 C 13 24.055 . . . . . . B 3 LEU CD2 . 19237 1 31 . 1 1 4 4 CYS H H 1 9.717 . . . . . . B 4 CYS H . 19237 1 32 . 1 1 4 4 CYS HA H 1 5.134 . . . . . . B 4 CYS HA . 19237 1 33 . 1 1 4 4 CYS HB2 H 1 2.996 . . . . . . B 4 CYS HB2 . 19237 1 34 . 1 1 4 4 CYS HB3 H 1 2.996 . . . . . . B 4 CYS HB3 . 19237 1 35 . 1 1 4 4 CYS CA C 13 60.428 . . . . . . B 4 CYS CA . 19237 1 36 . 1 1 4 4 CYS N N 15 122.129 . . . . . . B 4 CYS N . 19237 1 37 . 1 1 5 5 GLU H H 1 8.801 . . . . . . B 5 GLU H . 19237 1 38 . 1 1 5 5 GLU HA H 1 4.479 . . . . . . B 5 GLU HA . 19237 1 39 . 1 1 5 5 GLU HB2 H 1 1.666 . . . . . . B 5 GLU HB2 . 19237 1 40 . 1 1 5 5 GLU HB3 H 1 1.666 . . . . . . B 5 GLU HB3 . 19237 1 41 . 1 1 5 5 GLU HG2 H 1 2.050 . . . . . . B 5 GLU HG2 . 19237 1 42 . 1 1 5 5 GLU HG3 H 1 1.865 . . . . . . B 5 GLU HG3 . 19237 1 43 . 1 1 5 5 GLU CG C 13 36.907 . . . . . . B 5 GLU CG . 19237 1 44 . 1 1 5 5 GLU N N 15 122.663 . . . . . . B 5 GLU N . 19237 1 45 . 1 1 6 6 LYS H H 1 9.057 . . . . . . B 6 LYS H . 19237 1 46 . 1 1 6 6 LYS HA H 1 4.762 . . . . . . B 6 LYS HA . 19237 1 47 . 1 1 6 6 LYS HB2 H 1 1.882 . . . . . . B 6 LYS HB2 . 19237 1 48 . 1 1 6 6 LYS HB3 H 1 1.789 . . . . . . B 6 LYS HB3 . 19237 1 49 . 1 1 6 6 LYS HG2 H 1 1.476 . . . . . . B 6 LYS HG2 . 19237 1 50 . 1 1 6 6 LYS HG3 H 1 1.410 . . . . . . B 6 LYS HG3 . 19237 1 51 . 1 1 6 6 LYS HD2 H 1 1.566 . . . . . . B 6 LYS HD2 . 19237 1 52 . 1 1 6 6 LYS HD3 H 1 1.475 . . . . . . B 6 LYS HD3 . 19237 1 53 . 1 1 6 6 LYS HE2 H 1 2.769 . . . . . . B 6 LYS HE2 . 19237 1 54 . 1 1 6 6 LYS HE3 H 1 2.769 . . . . . . B 6 LYS HE3 . 19237 1 55 . 1 1 6 6 LYS HZ1 H 1 7.384 . . . . . . B 6 LYS HZ1 . 19237 1 56 . 1 1 6 6 LYS HZ2 H 1 7.384 . . . . . . B 6 LYS HZ2 . 19237 1 57 . 1 1 6 6 LYS HZ3 H 1 7.384 . . . . . . B 6 LYS HZ3 . 19237 1 58 . 1 1 6 6 LYS CB C 13 36.955 . . . . . . B 6 LYS CB . 19237 1 59 . 1 1 6 6 LYS CG C 13 25.673 . . . . . . B 6 LYS CG . 19237 1 60 . 1 1 6 6 LYS CD C 13 30.109 . . . . . . B 6 LYS CD . 19237 1 61 . 1 1 7 7 PRO HA H 1 4.468 . . . . . . B 7 PRO HA . 19237 1 62 . 1 1 7 7 PRO HB2 H 1 2.308 . . . . . . B 7 PRO HB2 . 19237 1 63 . 1 1 7 7 PRO HB3 H 1 1.914 . . . . . . B 7 PRO HB3 . 19237 1 64 . 1 1 7 7 PRO HG2 H 1 2.154 . . . . . . B 7 PRO HG2 . 19237 1 65 . 1 1 7 7 PRO HG3 H 1 1.916 . . . . . . B 7 PRO HG3 . 19237 1 66 . 1 1 7 7 PRO HD2 H 1 3.634 . . . . . . B 7 PRO HD2 . 19237 1 67 . 1 1 7 7 PRO HD3 H 1 3.869 . . . . . . B 7 PRO HD3 . 19237 1 68 . 1 1 7 7 PRO CA C 13 64.390 . . . . . . B 7 PRO CA . 19237 1 69 . 1 1 7 7 PRO CB C 13 32.996 . . . . . . B 7 PRO CB . 19237 1 70 . 1 1 7 7 PRO CG C 13 28.879 . . . . . . B 7 PRO CG . 19237 1 71 . 1 1 7 7 PRO CD C 13 51.658 . . . . . . B 7 PRO CD . 19237 1 72 . 1 1 8 8 SER H H 1 8.628 . . . . . . B 8 SER H . 19237 1 73 . 1 1 8 8 SER HA H 1 4.751 . . . . . . B 8 SER HA . 19237 1 74 . 1 1 8 8 SER HB2 H 1 4.110 . . . . . . B 8 SER HB2 . 19237 1 75 . 1 1 8 8 SER HB3 H 1 3.704 . . . . . . B 8 SER HB3 . 19237 1 76 . 1 1 8 8 SER CA C 13 59.388 . . . . . . B 8 SER CA . 19237 1 77 . 1 1 8 8 SER CB C 13 65.016 . . . . . . B 8 SER CB . 19237 1 78 . 1 1 9 9 GLY H H 1 10.642 . . . . . . B 9 GLY H . 19237 1 79 . 1 1 9 9 GLY HA2 H 1 4.416 . . . . . . B 9 GLY HA2 . 19237 1 80 . 1 1 9 9 GLY HA3 H 1 3.912 . . . . . . B 9 GLY HA3 . 19237 1 81 . 1 1 9 9 GLY CA C 13 46.276 . . . . . . B 9 GLY CA . 19237 1 82 . 1 1 9 9 GLY N N 15 119.742 . . . . . . B 9 GLY N . 19237 1 83 . 1 1 10 10 THR H H 1 8.204 . . . . . . B 10 THR H . 19237 1 84 . 1 1 10 10 THR HA H 1 4.506 . . . . . . B 10 THR HA . 19237 1 85 . 1 1 10 10 THR HB H 1 4.161 . . . . . . B 10 THR HB . 19237 1 86 . 1 1 10 10 THR HG1 H 1 1.144 . . . . . . B 10 THR HG1 . 19237 1 87 . 1 1 10 10 THR HG21 H 1 1.142 . . . . . . B 10 THR HG21 . 19237 1 88 . 1 1 10 10 THR HG22 H 1 1.142 . . . . . . B 10 THR HG22 . 19237 1 89 . 1 1 10 10 THR HG23 H 1 1.142 . . . . . . B 10 THR HG23 . 19237 1 90 . 1 1 10 10 THR CA C 13 63.146 . . . . . . B 10 THR CA . 19237 1 91 . 1 1 10 10 THR CB C 13 71.462 . . . . . . B 10 THR CB . 19237 1 92 . 1 1 10 10 THR CG2 C 13 22.443 . . . . . . B 10 THR CG2 . 19237 1 93 . 1 1 10 10 THR N N 15 109.252 . . . . . . B 10 THR N . 19237 1 94 . 1 1 11 11 TRP H H 1 8.151 . . . . . . B 11 TRP H . 19237 1 95 . 1 1 11 11 TRP HA H 1 4.126 . . . . . . B 11 TRP HA . 19237 1 96 . 1 1 11 11 TRP HB2 H 1 3.262 . . . . . . B 11 TRP HB2 . 19237 1 97 . 1 1 11 11 TRP HB3 H 1 3.104 . . . . . . B 11 TRP HB3 . 19237 1 98 . 1 1 11 11 TRP HD1 H 1 7.099 . . . . . . B 11 TRP HD1 . 19237 1 99 . 1 1 11 11 TRP HE1 H 1 8.608 . . . . . . B 11 TRP HE1 . 19237 1 100 . 1 1 11 11 TRP HE3 H 1 7.360 . . . . . . B 11 TRP HE3 . 19237 1 101 . 1 1 11 11 TRP HZ2 H 1 7.833 . . . . . . B 11 TRP HZ2 . 19237 1 102 . 1 1 11 11 TRP HZ3 H 1 6.807 . . . . . . B 11 TRP HZ3 . 19237 1 103 . 1 1 11 11 TRP HH2 H 1 7.248 . . . . . . B 11 TRP HH2 . 19237 1 104 . 1 1 11 11 TRP CA C 13 59.332 . . . . . . B 11 TRP CA . 19237 1 105 . 1 1 11 11 TRP CB C 13 30.028 . . . . . . B 11 TRP CB . 19237 1 106 . 1 1 11 11 TRP CE3 C 13 115.540 . . . . . . B 11 TRP CE3 . 19237 1 107 . 1 1 11 11 TRP CZ2 C 13 121.369 . . . . . . B 11 TRP CZ2 . 19237 1 108 . 1 1 11 11 TRP CZ3 C 13 120.473 . . . . . . B 11 TRP CZ3 . 19237 1 109 . 1 1 11 11 TRP CH2 C 13 122.032 . . . . . . B 11 TRP CH2 . 19237 1 110 . 1 1 11 11 TRP N N 15 125.850 . . . . . . B 11 TRP N . 19237 1 111 . 1 1 12 12 SER H H 1 7.364 . . . . . . B 12 SER H . 19237 1 112 . 1 1 12 12 SER HA H 1 4.642 . . . . . . B 12 SER HA . 19237 1 113 . 1 1 12 12 SER HB2 H 1 3.572 . . . . . . B 12 SER HB2 . 19237 1 114 . 1 1 12 12 SER HB3 H 1 3.572 . . . . . . B 12 SER HB3 . 19237 1 115 . 1 1 12 12 SER CA C 13 57.769 . . . . . . B 12 SER CA . 19237 1 116 . 1 1 12 12 SER CB C 13 65.589 . . . . . . B 12 SER CB . 19237 1 117 . 1 1 12 12 SER N N 15 123.082 . . . . . . B 12 SER N . 19237 1 118 . 1 1 13 13 GLY H H 1 8.403 . . . . . . B 13 GLY H . 19237 1 119 . 1 1 13 13 GLY HA2 H 1 3.888 . . . . . . B 13 GLY HA2 . 19237 1 120 . 1 1 13 13 GLY HA3 H 1 4.188 . . . . . . B 13 GLY HA3 . 19237 1 121 . 1 1 13 13 GLY CA C 13 44.984 . . . . . . B 13 GLY CA . 19237 1 122 . 1 1 13 13 GLY N N 15 111.342 . . . . . . B 13 GLY N . 19237 1 123 . 1 1 14 14 VAL H H 1 8.540 . . . . . . B 14 VAL H . 19237 1 124 . 1 1 14 14 VAL HA H 1 4.065 . . . . . . B 14 VAL HA . 19237 1 125 . 1 1 14 14 VAL HB H 1 2.150 . . . . . . B 14 VAL HB . 19237 1 126 . 1 1 14 14 VAL HG11 H 1 1.096 . . . . . . B 14 VAL HG11 . 19237 1 127 . 1 1 14 14 VAL HG12 H 1 1.096 . . . . . . B 14 VAL HG12 . 19237 1 128 . 1 1 14 14 VAL HG13 H 1 1.096 . . . . . . B 14 VAL HG13 . 19237 1 129 . 1 1 14 14 VAL HG21 H 1 0.989 . . . . . . B 14 VAL HG21 . 19237 1 130 . 1 1 14 14 VAL HG22 H 1 0.989 . . . . . . B 14 VAL HG22 . 19237 1 131 . 1 1 14 14 VAL HG23 H 1 0.989 . . . . . . B 14 VAL HG23 . 19237 1 132 . 1 1 14 14 VAL CA C 13 64.423 . . . . . . B 14 VAL CA . 19237 1 133 . 1 1 14 14 VAL CB C 13 33.537 . . . . . . B 14 VAL CB . 19237 1 134 . 1 1 14 14 VAL CG1 C 13 22.470 . . . . . . B 14 VAL CG1 . 19237 1 135 . 1 1 14 14 VAL CG2 C 13 21.865 . . . . . . B 14 VAL CG2 . 19237 1 136 . 1 1 14 14 VAL N N 15 119.976 . . . . . . B 14 VAL N . 19237 1 137 . 1 1 15 15 CYS H H 1 8.289 . . . . . . B 15 CYS H . 19237 1 138 . 1 1 15 15 CYS HA H 1 4.946 . . . . . . B 15 CYS HA . 19237 1 139 . 1 1 15 15 CYS HB2 H 1 1.890 . . . . . . B 15 CYS HB2 . 19237 1 140 . 1 1 15 15 CYS HB3 H 1 2.924 . . . . . . B 15 CYS HB3 . 19237 1 141 . 1 1 15 15 CYS CA C 13 57.919 . . . . . . B 15 CYS CA . 19237 1 142 . 1 1 15 15 CYS CB C 13 39.661 . . . . . . B 15 CYS CB . 19237 1 143 . 1 1 16 16 GLY H H 1 8.610 . . . . . . B 16 GLY H . 19237 1 144 . 1 1 16 16 GLY HA2 H 1 3.706 . . . . . . B 16 GLY HA2 . 19237 1 145 . 1 1 16 16 GLY HA3 H 1 4.402 . . . . . . B 16 GLY HA3 . 19237 1 146 . 1 1 16 16 GLY CA C 13 45.808 . . . . . . B 16 GLY CA . 19237 1 147 . 1 1 16 16 GLY N N 15 114.030 . . . . . . B 16 GLY N . 19237 1 148 . 1 1 17 17 ASN H H 1 7.335 . . . . . . B 17 ASN H . 19237 1 149 . 1 1 17 17 ASN HA H 1 4.876 . . . . . . B 17 ASN HA . 19237 1 150 . 1 1 17 17 ASN HB2 H 1 2.792 . . . . . . B 17 ASN HB2 . 19237 1 151 . 1 1 17 17 ASN HB3 H 1 3.050 . . . . . . B 17 ASN HB3 . 19237 1 152 . 1 1 17 17 ASN HD21 H 1 7.902 . . . . . . B 17 ASN HD21 . 19237 1 153 . 1 1 17 17 ASN HD22 H 1 7.024 . . . . . . B 17 ASN HD22 . 19237 1 154 . 1 1 17 17 ASN CA C 13 53.355 . . . . . . B 17 ASN CA . 19237 1 155 . 1 1 17 17 ASN ND2 N 15 113.318 . . . . . . B 17 ASN ND2 . 19237 1 156 . 1 1 18 18 ASN H H 1 9.056 . . . . . . B 18 ASN H . 19237 1 157 . 1 1 18 18 ASN HA H 1 4.252 . . . . . . B 18 ASN HA . 19237 1 158 . 1 1 18 18 ASN HB2 H 1 3.159 . . . . . . B 18 ASN HB2 . 19237 1 159 . 1 1 18 18 ASN HB3 H 1 2.734 . . . . . . B 18 ASN HB3 . 19237 1 160 . 1 1 18 18 ASN HD21 H 1 7.042 . . . . . . B 18 ASN HD21 . 19237 1 161 . 1 1 18 18 ASN HD22 H 1 7.626 . . . . . . B 18 ASN HD22 . 19237 1 162 . 1 1 18 18 ASN CB C 13 39.481 . . . . . . B 18 ASN CB . 19237 1 163 . 1 1 18 18 ASN ND2 N 15 112.928 . . . . . . B 18 ASN ND2 . 19237 1 164 . 1 1 19 19 GLY H H 1 8.565 . . . . . . B 19 GLY H . 19237 1 165 . 1 1 19 19 GLY HA2 H 1 3.966 . . . . . . B 19 GLY HA2 . 19237 1 166 . 1 1 19 19 GLY HA3 H 1 3.789 . . . . . . B 19 GLY HA3 . 19237 1 167 . 1 1 19 19 GLY CA C 13 47.970 . . . . . . B 19 GLY CA . 19237 1 168 . 1 1 19 19 GLY N N 15 107.723 . . . . . . B 19 GLY N . 19237 1 169 . 1 1 20 20 ALA H H 1 7.949 . . . . . . B 20 ALA H . 19237 1 170 . 1 1 20 20 ALA HA H 1 4.358 . . . . . . B 20 ALA HA . 19237 1 171 . 1 1 20 20 ALA HB1 H 1 1.758 . . . . . . B 20 ALA HB1 . 19237 1 172 . 1 1 20 20 ALA HB2 H 1 1.758 . . . . . . B 20 ALA HB2 . 19237 1 173 . 1 1 20 20 ALA HB3 H 1 1.758 . . . . . . B 20 ALA HB3 . 19237 1 174 . 1 1 20 20 ALA CA C 13 55.758 . . . . . . B 20 ALA CA . 19237 1 175 . 1 1 20 20 ALA CB C 13 19.534 . . . . . . B 20 ALA CB . 19237 1 176 . 1 1 20 20 ALA N N 15 124.931 . . . . . . B 20 ALA N . 19237 1 177 . 1 1 21 21 CYS H H 1 7.335 . . . . . . B 21 CYS H . 19237 1 178 . 1 1 21 21 CYS HA H 1 4.174 . . . . . . B 21 CYS HA . 19237 1 179 . 1 1 21 21 CYS HB2 H 1 2.244 . . . . . . B 21 CYS HB2 . 19237 1 180 . 1 1 21 21 CYS HB3 H 1 2.066 . . . . . . B 21 CYS HB3 . 19237 1 181 . 1 1 21 21 CYS CA C 13 59.283 . . . . . . B 21 CYS CA . 19237 1 182 . 1 1 21 21 CYS CB C 13 37.802 . . . . . . B 21 CYS CB . 19237 1 183 . 1 1 22 22 ARG H H 1 8.494 . . . . . . B 22 ARG H . 19237 1 184 . 1 1 22 22 ARG HA H 1 3.249 . . . . . . B 22 ARG HA . 19237 1 185 . 1 1 22 22 ARG HB2 H 1 1.919 . . . . . . B 22 ARG HB2 . 19237 1 186 . 1 1 22 22 ARG HB3 H 1 1.924 . . . . . . B 22 ARG HB3 . 19237 1 187 . 1 1 22 22 ARG HG2 H 1 1.501 . . . . . . B 22 ARG HG2 . 19237 1 188 . 1 1 22 22 ARG HG3 H 1 1.501 . . . . . . B 22 ARG HG3 . 19237 1 189 . 1 1 22 22 ARG HD2 H 1 3.315 . . . . . . B 22 ARG HD2 . 19237 1 190 . 1 1 22 22 ARG HD3 H 1 3.478 . . . . . . B 22 ARG HD3 . 19237 1 191 . 1 1 22 22 ARG HE H 1 7.723 . . . . . . B 22 ARG HE . 19237 1 192 . 1 1 22 22 ARG CA C 13 54.049 . . . . . . B 22 ARG CA . 19237 1 193 . 1 1 22 22 ARG CB C 13 29.748 . . . . . . B 22 ARG CB . 19237 1 194 . 1 1 22 22 ARG CG C 13 30.402 . . . . . . B 22 ARG CG . 19237 1 195 . 1 1 22 22 ARG CD C 13 44.619 . . . . . . B 22 ARG CD . 19237 1 196 . 1 1 22 22 ARG N N 15 122.243 . . . . . . B 22 ARG N . 19237 1 197 . 1 1 23 23 ASN H H 1 8.271 . . . . . . B 23 ASN H . 19237 1 198 . 1 1 23 23 ASN HA H 1 4.399 . . . . . . B 23 ASN HA . 19237 1 199 . 1 1 23 23 ASN HB2 H 1 2.928 . . . . . . B 23 ASN HB2 . 19237 1 200 . 1 1 23 23 ASN HB3 H 1 2.848 . . . . . . B 23 ASN HB3 . 19237 1 201 . 1 1 23 23 ASN HD21 H 1 7.696 . . . . . . B 23 ASN HD21 . 19237 1 202 . 1 1 23 23 ASN HD22 H 1 6.976 . . . . . . B 23 ASN HD22 . 19237 1 203 . 1 1 23 23 ASN N N 15 114.938 . . . . . . B 23 ASN N . 19237 1 204 . 1 1 23 23 ASN ND2 N 15 112.295 . . . . . . B 23 ASN ND2 . 19237 1 205 . 1 1 24 24 GLN H H 1 8.221 . . . . . . B 24 GLN H . 19237 1 206 . 1 1 24 24 GLN HA H 1 4.107 . . . . . . B 24 GLN HA . 19237 1 207 . 1 1 24 24 GLN HB2 H 1 2.405 . . . . . . B 24 GLN HB2 . 19237 1 208 . 1 1 24 24 GLN HB3 H 1 2.589 . . . . . . B 24 GLN HB3 . 19237 1 209 . 1 1 24 24 GLN HG2 H 1 2.584 . . . . . . B 24 GLN HG2 . 19237 1 210 . 1 1 24 24 GLN HG3 H 1 2.582 . . . . . . B 24 GLN HG3 . 19237 1 211 . 1 1 24 24 GLN HE21 H 1 6.568 . . . . . . B 24 GLN HE21 . 19237 1 212 . 1 1 24 24 GLN HE22 H 1 7.814 . . . . . . B 24 GLN HE22 . 19237 1 213 . 1 1 24 24 GLN CB C 13 28.964 . . . . . . B 24 GLN CB . 19237 1 214 . 1 1 24 24 GLN CG C 13 28.964 . . . . . . B 24 GLN CG . 19237 1 215 . 1 1 24 24 GLN N N 15 120.890 . . . . . . B 24 GLN N . 19237 1 216 . 1 1 24 24 GLN NE2 N 15 110.324 . . . . . . B 24 GLN NE2 . 19237 1 217 . 1 1 25 25 CYS H H 1 8.747 . . . . . . B 25 CYS H . 19237 1 218 . 1 1 25 25 CYS HA H 1 4.241 . . . . . . B 25 CYS HA . 19237 1 219 . 1 1 25 25 CYS HB2 H 1 2.545 . . . . . . B 25 CYS HB2 . 19237 1 220 . 1 1 25 25 CYS HB3 H 1 2.863 . . . . . . B 25 CYS HB3 . 19237 1 221 . 1 1 25 25 CYS CA C 13 60.365 . . . . . . B 25 CYS CA . 19237 1 222 . 1 1 25 25 CYS CB C 13 38.032 . . . . . . B 25 CYS CB . 19237 1 223 . 1 1 26 26 ILE H H 1 8.198 . . . . . . B 26 ILE H . 19237 1 224 . 1 1 26 26 ILE HA H 1 3.852 . . . . . . B 26 ILE HA . 19237 1 225 . 1 1 26 26 ILE HB H 1 1.732 . . . . . . B 26 ILE HB . 19237 1 226 . 1 1 26 26 ILE HG12 H 1 1.448 . . . . . . B 26 ILE HG12 . 19237 1 227 . 1 1 26 26 ILE HG13 H 1 1.732 . . . . . . B 26 ILE HG13 . 19237 1 228 . 1 1 26 26 ILE HG21 H 1 0.889 . . . . . . B 26 ILE HG21 . 19237 1 229 . 1 1 26 26 ILE HG22 H 1 0.889 . . . . . . B 26 ILE HG22 . 19237 1 230 . 1 1 26 26 ILE HG23 H 1 0.889 . . . . . . B 26 ILE HG23 . 19237 1 231 . 1 1 26 26 ILE HD11 H 1 0.814 . . . . . . B 26 ILE HD11 . 19237 1 232 . 1 1 26 26 ILE HD12 H 1 0.814 . . . . . . B 26 ILE HD12 . 19237 1 233 . 1 1 26 26 ILE HD13 H 1 0.814 . . . . . . B 26 ILE HD13 . 19237 1 234 . 1 1 26 26 ILE CA C 13 66.031 . . . . . . B 26 ILE CA . 19237 1 235 . 1 1 26 26 ILE CB C 13 40.352 . . . . . . B 26 ILE CB . 19237 1 236 . 1 1 26 26 ILE CG2 C 13 17.436 . . . . . . B 26 ILE CG2 . 19237 1 237 . 1 1 26 26 ILE CD1 C 13 15.411 . . . . . . B 26 ILE CD1 . 19237 1 238 . 1 1 26 26 ILE N N 15 119.696 . . . . . . B 26 ILE N . 19237 1 239 . 1 1 27 27 ARG H H 1 8.736 . . . . . . B 27 ARG H . 19237 1 240 . 1 1 27 27 ARG HA H 1 4.141 . . . . . . B 27 ARG HA . 19237 1 241 . 1 1 27 27 ARG HB2 H 1 1.909 . . . . . . B 27 ARG HB2 . 19237 1 242 . 1 1 27 27 ARG HB3 H 1 1.654 . . . . . . B 27 ARG HB3 . 19237 1 243 . 1 1 27 27 ARG HG2 H 1 1.824 . . . . . . B 27 ARG HG2 . 19237 1 244 . 1 1 27 27 ARG HG3 H 1 1.990 . . . . . . B 27 ARG HG3 . 19237 1 245 . 1 1 27 27 ARG HD2 H 1 3.207 . . . . . . B 27 ARG HD2 . 19237 1 246 . 1 1 27 27 ARG HD3 H 1 3.264 . . . . . . B 27 ARG HD3 . 19237 1 247 . 1 1 27 27 ARG HE H 1 7.320 . . . . . . B 27 ARG HE . 19237 1 248 . 1 1 27 27 ARG CA C 13 60.507 . . . . . . B 27 ARG CA . 19237 1 249 . 1 1 27 27 ARG CB C 13 32.042 . . . . . . B 27 ARG CB . 19237 1 250 . 1 1 28 28 LEU H H 1 8.572 . . . . . . B 28 LEU H . 19237 1 251 . 1 1 28 28 LEU HA H 1 4.721 . . . . . . B 28 LEU HA . 19237 1 252 . 1 1 28 28 LEU HB2 H 1 1.673 . . . . . . B 28 LEU HB2 . 19237 1 253 . 1 1 28 28 LEU HB3 H 1 2.210 . . . . . . B 28 LEU HB3 . 19237 1 254 . 1 1 28 28 LEU HG H 1 1.778 . . . . . . B 28 LEU HG . 19237 1 255 . 1 1 28 28 LEU HD11 H 1 1.003 . . . . . . B 28 LEU HD11 . 19237 1 256 . 1 1 28 28 LEU HD12 H 1 1.003 . . . . . . B 28 LEU HD12 . 19237 1 257 . 1 1 28 28 LEU HD13 H 1 1.003 . . . . . . B 28 LEU HD13 . 19237 1 258 . 1 1 28 28 LEU HD21 H 1 0.930 . . . . . . B 28 LEU HD21 . 19237 1 259 . 1 1 28 28 LEU HD22 H 1 0.930 . . . . . . B 28 LEU HD22 . 19237 1 260 . 1 1 28 28 LEU HD23 H 1 0.930 . . . . . . B 28 LEU HD23 . 19237 1 261 . 1 1 28 28 LEU CA C 13 56.621 . . . . . . B 28 LEU CA . 19237 1 262 . 1 1 28 28 LEU CB C 13 43.722 . . . . . . B 28 LEU CB . 19237 1 263 . 1 1 28 28 LEU CG C 13 28.828 . . . . . . B 28 LEU CG . 19237 1 264 . 1 1 28 28 LEU CD1 C 13 25.859 . . . . . . B 28 LEU CD1 . 19237 1 265 . 1 1 28 28 LEU CD2 C 13 23.619 . . . . . . B 28 LEU CD2 . 19237 1 266 . 1 1 29 29 GLU H H 1 7.032 . . . . . . B 29 GLU H . 19237 1 267 . 1 1 29 29 GLU HA H 1 4.810 . . . . . . B 29 GLU HA . 19237 1 268 . 1 1 29 29 GLU HB2 H 1 2.759 . . . . . . B 29 GLU HB2 . 19237 1 269 . 1 1 29 29 GLU HB3 H 1 2.661 . . . . . . B 29 GLU HB3 . 19237 1 270 . 1 1 29 29 GLU HG2 H 1 2.380 . . . . . . B 29 GLU HG2 . 19237 1 271 . 1 1 29 29 GLU HG3 H 1 2.270 . . . . . . B 29 GLU HG3 . 19237 1 272 . 1 1 29 29 GLU CA C 13 56.943 . . . . . . B 29 GLU CA . 19237 1 273 . 1 1 29 29 GLU CB C 13 31.048 . . . . . . B 29 GLU CB . 19237 1 274 . 1 1 29 29 GLU CG C 13 39.629 . . . . . . B 29 GLU CG . 19237 1 275 . 1 1 29 29 GLU N N 15 115.746 . . . . . . B 29 GLU N . 19237 1 276 . 1 1 30 30 LYS H H 1 7.475 . . . . . . B 30 LYS H . 19237 1 277 . 1 1 30 30 LYS HA H 1 4.246 . . . . . . B 30 LYS HA . 19237 1 278 . 1 1 30 30 LYS HB2 H 1 2.164 . . . . . . B 30 LYS HB2 . 19237 1 279 . 1 1 30 30 LYS HB3 H 1 2.265 . . . . . . B 30 LYS HB3 . 19237 1 280 . 1 1 30 30 LYS HG2 H 1 1.437 . . . . . . B 30 LYS HG2 . 19237 1 281 . 1 1 30 30 LYS HG3 H 1 1.437 . . . . . . B 30 LYS HG3 . 19237 1 282 . 1 1 30 30 LYS HD2 H 1 1.743 . . . . . . B 30 LYS HD2 . 19237 1 283 . 1 1 30 30 LYS HD3 H 1 1.741 . . . . . . B 30 LYS HD3 . 19237 1 284 . 1 1 30 30 LYS HE2 H 1 3.066 . . . . . . B 30 LYS HE2 . 19237 1 285 . 1 1 30 30 LYS HE3 H 1 3.066 . . . . . . B 30 LYS HE3 . 19237 1 286 . 1 1 30 30 LYS HZ1 H 1 7.566 . . . . . . B 30 LYS HZ1 . 19237 1 287 . 1 1 30 30 LYS HZ2 H 1 7.566 . . . . . . B 30 LYS HZ2 . 19237 1 288 . 1 1 30 30 LYS HZ3 H 1 7.566 . . . . . . B 30 LYS HZ3 . 19237 1 289 . 1 1 30 30 LYS CA C 13 58.203 . . . . . . B 30 LYS CA . 19237 1 290 . 1 1 30 30 LYS CG C 13 26.251 . . . . . . B 30 LYS CG . 19237 1 291 . 1 1 31 31 ALA H H 1 7.974 . . . . . . B 31 ALA H . 19237 1 292 . 1 1 31 31 ALA HA H 1 4.009 . . . . . . B 31 ALA HA . 19237 1 293 . 1 1 31 31 ALA HB1 H 1 0.829 . . . . . . B 31 ALA HB1 . 19237 1 294 . 1 1 31 31 ALA HB2 H 1 0.829 . . . . . . B 31 ALA HB2 . 19237 1 295 . 1 1 31 31 ALA HB3 H 1 0.829 . . . . . . B 31 ALA HB3 . 19237 1 296 . 1 1 31 31 ALA CA C 13 51.807 . . . . . . B 31 ALA CA . 19237 1 297 . 1 1 31 31 ALA CB C 13 14.022 . . . . . . B 31 ALA CB . 19237 1 298 . 1 1 31 31 ALA N N 15 120.618 . . . . . . B 31 ALA N . 19237 1 299 . 1 1 32 32 ARG H H 1 8.230 . . . . . . B 32 ARG H . 19237 1 300 . 1 1 32 32 ARG HA H 1 4.482 . . . . . . B 32 ARG HA . 19237 1 301 . 1 1 32 32 ARG HB2 H 1 1.622 . . . . . . B 32 ARG HB2 . 19237 1 302 . 1 1 32 32 ARG HB3 H 1 1.835 . . . . . . B 32 ARG HB3 . 19237 1 303 . 1 1 32 32 ARG HG2 H 1 1.769 . . . . . . B 32 ARG HG2 . 19237 1 304 . 1 1 32 32 ARG HG3 H 1 1.714 . . . . . . B 32 ARG HG3 . 19237 1 305 . 1 1 32 32 ARG HD2 H 1 3.253 . . . . . . B 32 ARG HD2 . 19237 1 306 . 1 1 32 32 ARG HD3 H 1 3.253 . . . . . . B 32 ARG HD3 . 19237 1 307 . 1 1 32 32 ARG HE H 1 7.463 . . . . . . B 32 ARG HE . 19237 1 308 . 1 1 32 32 ARG N N 15 113.739 . . . . . . B 32 ARG N . 19237 1 309 . 1 1 33 33 HIS H H 1 7.683 . . . . . . B 33 HIS H . 19237 1 310 . 1 1 33 33 HIS HA H 1 4.750 . . . . . . B 33 HIS HA . 19237 1 311 . 1 1 33 33 HIS HB2 H 1 3.220 . . . . . . B 33 HIS HB2 . 19237 1 312 . 1 1 33 33 HIS HB3 H 1 2.393 . . . . . . B 33 HIS HB3 . 19237 1 313 . 1 1 33 33 HIS HD2 H 1 6.003 . . . . . . B 33 HIS HD2 . 19237 1 314 . 1 1 33 33 HIS HE1 H 1 7.802 . . . . . . B 33 HIS HE1 . 19237 1 315 . 1 1 33 33 HIS CB C 13 34.441 . . . . . . B 33 HIS CB . 19237 1 316 . 1 1 33 33 HIS CD2 C 13 119.297 . . . . . . B 33 HIS CD2 . 19237 1 317 . 1 1 33 33 HIS CE1 C 13 141.284 . . . . . . B 33 HIS CE1 . 19237 1 318 . 1 1 34 34 GLY H H 1 6.313 . . . . . . B 34 GLY H . 19237 1 319 . 1 1 34 34 GLY HA2 H 1 3.825 . . . . . . B 34 GLY HA2 . 19237 1 320 . 1 1 34 34 GLY HA3 H 1 5.317 . . . . . . B 34 GLY HA3 . 19237 1 321 . 1 1 34 34 GLY CA C 13 47.457 . . . . . . B 34 GLY CA . 19237 1 322 . 1 1 34 34 GLY N N 15 110.723 . . . . . . B 34 GLY N . 19237 1 323 . 1 1 35 35 SER H H 1 9.075 . . . . . . B 35 SER H . 19237 1 324 . 1 1 35 35 SER HA H 1 4.118 . . . . . . B 35 SER HA . 19237 1 325 . 1 1 35 35 SER HB2 H 1 3.714 . . . . . . B 35 SER HB2 . 19237 1 326 . 1 1 35 35 SER HB3 H 1 3.720 . . . . . . B 35 SER HB3 . 19237 1 327 . 1 1 35 35 SER CA C 13 61.816 . . . . . . B 35 SER CA . 19237 1 328 . 1 1 35 35 SER CB C 13 73.315 . . . . . . B 35 SER CB . 19237 1 329 . 1 1 36 36 CYS H H 1 8.552 . . . . . . B 36 CYS H . 19237 1 330 . 1 1 36 36 CYS HA H 1 5.455 . . . . . . B 36 CYS HA . 19237 1 331 . 1 1 36 36 CYS HB2 H 1 2.872 . . . . . . B 36 CYS HB2 . 19237 1 332 . 1 1 36 36 CYS HB3 H 1 2.728 . . . . . . B 36 CYS HB3 . 19237 1 333 . 1 1 36 36 CYS CA C 13 52.833 . . . . . . B 36 CYS CA . 19237 1 334 . 1 1 36 36 CYS CB C 13 37.259 . . . . . . B 36 CYS CB . 19237 1 335 . 1 1 37 37 ASN H H 1 9.079 . . . . . . B 37 ASN H . 19237 1 336 . 1 1 37 37 ASN HA H 1 4.999 . . . . . . B 37 ASN HA . 19237 1 337 . 1 1 37 37 ASN HB2 H 1 2.759 . . . . . . B 37 ASN HB2 . 19237 1 338 . 1 1 37 37 ASN HB3 H 1 2.760 . . . . . . B 37 ASN HB3 . 19237 1 339 . 1 1 37 37 ASN HD21 H 1 6.790 . . . . . . B 37 ASN HD21 . 19237 1 340 . 1 1 37 37 ASN HD22 H 1 7.399 . . . . . . B 37 ASN HD22 . 19237 1 341 . 1 1 37 37 ASN CA C 13 52.088 . . . . . . B 37 ASN CA . 19237 1 342 . 1 1 37 37 ASN CB C 13 42.750 . . . . . . B 37 ASN CB . 19237 1 343 . 1 1 37 37 ASN ND2 N 15 110.690 . . . . . . B 37 ASN ND2 . 19237 1 344 . 1 1 38 38 TYR H H 1 8.829 . . . . . . B 38 TYR H . 19237 1 345 . 1 1 38 38 TYR HA H 1 4.208 . . . . . . B 38 TYR HA . 19237 1 346 . 1 1 38 38 TYR HB2 H 1 2.558 . . . . . . B 38 TYR HB2 . 19237 1 347 . 1 1 38 38 TYR HB3 H 1 3.011 . . . . . . B 38 TYR HB3 . 19237 1 348 . 1 1 38 38 TYR HD1 H 1 6.599 . . . . . . B 38 TYR HD1 . 19237 1 349 . 1 1 38 38 TYR HD2 H 1 6.599 . . . . . . B 38 TYR HD2 . 19237 1 350 . 1 1 38 38 TYR HE1 H 1 6.701 . . . . . . B 38 TYR HE1 . 19237 1 351 . 1 1 38 38 TYR HE2 H 1 6.701 . . . . . . B 38 TYR HE2 . 19237 1 352 . 1 1 38 38 TYR CD1 C 13 133.647 . . . . . . B 38 TYR CD1 . 19237 1 353 . 1 1 38 38 TYR CD2 C 13 133.647 . . . . . . B 38 TYR CD2 . 19237 1 354 . 1 1 38 38 TYR CE1 C 13 118.754 . . . . . . B 38 TYR CE1 . 19237 1 355 . 1 1 38 38 TYR CE2 C 13 118.754 . . . . . . B 38 TYR CE2 . 19237 1 356 . 1 1 39 39 VAL H H 1 7.680 . . . . . . B 39 VAL H . 19237 1 357 . 1 1 39 39 VAL HA H 1 3.887 . . . . . . B 39 VAL HA . 19237 1 358 . 1 1 39 39 VAL HB H 1 1.881 . . . . . . B 39 VAL HB . 19237 1 359 . 1 1 39 39 VAL HG11 H 1 0.873 . . . . . . B 39 VAL HG11 . 19237 1 360 . 1 1 39 39 VAL HG12 H 1 0.873 . . . . . . B 39 VAL HG12 . 19237 1 361 . 1 1 39 39 VAL HG13 H 1 0.873 . . . . . . B 39 VAL HG13 . 19237 1 362 . 1 1 39 39 VAL HG21 H 1 0.873 . . . . . . B 39 VAL HG21 . 19237 1 363 . 1 1 39 39 VAL HG22 H 1 0.873 . . . . . . B 39 VAL HG22 . 19237 1 364 . 1 1 39 39 VAL HG23 H 1 0.873 . . . . . . B 39 VAL HG23 . 19237 1 365 . 1 1 39 39 VAL CA C 13 64.862 . . . . . . B 39 VAL CA . 19237 1 366 . 1 1 39 39 VAL CG1 C 13 21.990 . . . . . . B 39 VAL CG1 . 19237 1 367 . 1 1 39 39 VAL CG2 C 13 21.209 . . . . . . B 39 VAL CG2 . 19237 1 368 . 1 1 40 40 PHE H H 1 8.441 . . . . . . B 40 PHE H . 19237 1 369 . 1 1 40 40 PHE HA H 1 3.956 . . . . . . B 40 PHE HA . 19237 1 370 . 1 1 40 40 PHE HB2 H 1 3.036 . . . . . . B 40 PHE HB2 . 19237 1 371 . 1 1 40 40 PHE HB3 H 1 2.884 . . . . . . B 40 PHE HB3 . 19237 1 372 . 1 1 40 40 PHE HD1 H 1 7.312 . . . . . . B 40 PHE HD1 . 19237 1 373 . 1 1 40 40 PHE HD2 H 1 7.312 . . . . . . B 40 PHE HD2 . 19237 1 374 . 1 1 40 40 PHE HE1 H 1 7.423 . . . . . . B 40 PHE HE1 . 19237 1 375 . 1 1 40 40 PHE HE2 H 1 7.423 . . . . . . B 40 PHE HE2 . 19237 1 376 . 1 1 40 40 PHE HZ H 1 7.381 . . . . . . B 40 PHE HZ . 19237 1 377 . 1 1 40 40 PHE CA C 13 57.565 . . . . . . B 40 PHE CA . 19237 1 378 . 1 1 40 40 PHE CD1 C 13 133.203 . . . . . . B 40 PHE CD1 . 19237 1 379 . 1 1 40 40 PHE CD2 C 13 133.203 . . . . . . B 40 PHE CD2 . 19237 1 380 . 1 1 40 40 PHE CE1 C 13 132.768 . . . . . . B 40 PHE CE1 . 19237 1 381 . 1 1 40 40 PHE CE2 C 13 132.768 . . . . . . B 40 PHE CE2 . 19237 1 382 . 1 1 40 40 PHE CZ C 13 131.536 . . . . . . B 40 PHE CZ . 19237 1 383 . 1 1 41 41 PRO HA H 1 3.868 . . . . . . B 41 PRO HA . 19237 1 384 . 1 1 41 41 PRO HB2 H 1 1.981 . . . . . . B 41 PRO HB2 . 19237 1 385 . 1 1 41 41 PRO HB3 H 1 0.969 . . . . . . B 41 PRO HB3 . 19237 1 386 . 1 1 41 41 PRO HG2 H 1 1.497 . . . . . . B 41 PRO HG2 . 19237 1 387 . 1 1 41 41 PRO HG3 H 1 1.716 . . . . . . B 41 PRO HG3 . 19237 1 388 . 1 1 41 41 PRO HD2 H 1 3.353 . . . . . . B 41 PRO HD2 . 19237 1 389 . 1 1 41 41 PRO HD3 H 1 3.281 . . . . . . B 41 PRO HD3 . 19237 1 390 . 1 1 41 41 PRO CA C 13 62.617 . . . . . . B 41 PRO CA . 19237 1 391 . 1 1 41 41 PRO CG C 13 24.910 . . . . . . B 41 PRO CG . 19237 1 392 . 1 1 41 41 PRO CD C 13 49.877 . . . . . . B 41 PRO CD . 19237 1 393 . 1 1 42 42 ALA H H 1 8.286 . . . . . . B 42 ALA H . 19237 1 394 . 1 1 42 42 ALA HA H 1 4.777 . . . . . . B 42 ALA HA . 19237 1 395 . 1 1 42 42 ALA HB1 H 1 1.340 . . . . . . B 42 ALA HB1 . 19237 1 396 . 1 1 42 42 ALA HB2 H 1 1.340 . . . . . . B 42 ALA HB2 . 19237 1 397 . 1 1 42 42 ALA HB3 H 1 1.340 . . . . . . B 42 ALA HB3 . 19237 1 398 . 1 1 42 42 ALA CA C 13 52.598 . . . . . . B 42 ALA CA . 19237 1 399 . 1 1 42 42 ALA CB C 13 23.268 . . . . . . B 42 ALA CB . 19237 1 400 . 1 1 43 43 HIS H H 1 8.588 . . . . . . B 43 HIS H . 19237 1 401 . 1 1 43 43 HIS HA H 1 4.954 . . . . . . B 43 HIS HA . 19237 1 402 . 1 1 43 43 HIS HB2 H 1 3.120 . . . . . . B 43 HIS HB2 . 19237 1 403 . 1 1 43 43 HIS HB3 H 1 3.305 . . . . . . B 43 HIS HB3 . 19237 1 404 . 1 1 43 43 HIS HD2 H 1 8.253 . . . . . . B 43 HIS HD2 . 19237 1 405 . 1 1 43 43 HIS HE1 H 1 7.284 . . . . . . B 43 HIS HE1 . 19237 1 406 . 1 1 43 43 HIS CA C 13 56.597 . . . . . . B 43 HIS CA . 19237 1 407 . 1 1 43 43 HIS CB C 13 31.205 . . . . . . B 43 HIS CB . 19237 1 408 . 1 1 43 43 HIS CD2 C 13 125.229 . . . . . . B 43 HIS CD2 . 19237 1 409 . 1 1 43 43 HIS CE1 C 13 138.211 . . . . . . B 43 HIS CE1 . 19237 1 410 . 1 1 44 44 LYS H H 1 8.825 . . . . . . B 44 LYS H . 19237 1 411 . 1 1 44 44 LYS HA H 1 4.667 . . . . . . B 44 LYS HA . 19237 1 412 . 1 1 44 44 LYS HB2 H 1 1.553 . . . . . . B 44 LYS HB2 . 19237 1 413 . 1 1 44 44 LYS HB3 H 1 1.877 . . . . . . B 44 LYS HB3 . 19237 1 414 . 1 1 44 44 LYS HG2 H 1 1.508 . . . . . . B 44 LYS HG2 . 19237 1 415 . 1 1 44 44 LYS HG3 H 1 1.408 . . . . . . B 44 LYS HG3 . 19237 1 416 . 1 1 44 44 LYS HD2 H 1 1.495 . . . . . . B 44 LYS HD2 . 19237 1 417 . 1 1 44 44 LYS HD3 H 1 1.676 . . . . . . B 44 LYS HD3 . 19237 1 418 . 1 1 44 44 LYS HE2 H 1 2.986 . . . . . . B 44 LYS HE2 . 19237 1 419 . 1 1 44 44 LYS HE3 H 1 2.986 . . . . . . B 44 LYS HE3 . 19237 1 420 . 1 1 44 44 LYS HZ1 H 1 7.656 . . . . . . B 44 LYS HZ1 . 19237 1 421 . 1 1 44 44 LYS HZ2 H 1 7.656 . . . . . . B 44 LYS HZ2 . 19237 1 422 . 1 1 44 44 LYS HZ3 H 1 7.656 . . . . . . B 44 LYS HZ3 . 19237 1 423 . 1 1 44 44 LYS CA C 13 55.564 . . . . . . B 44 LYS CA . 19237 1 424 . 1 1 44 44 LYS CB C 13 37.018 . . . . . . B 44 LYS CB . 19237 1 425 . 1 1 44 44 LYS CE C 13 42.838 . . . . . . B 44 LYS CE . 19237 1 426 . 1 1 45 45 CYS H H 1 9.154 . . . . . . B 45 CYS H . 19237 1 427 . 1 1 45 45 CYS HA H 1 4.714 . . . . . . B 45 CYS HA . 19237 1 428 . 1 1 45 45 CYS HB2 H 1 2.208 . . . . . . B 45 CYS HB2 . 19237 1 429 . 1 1 45 45 CYS HB3 H 1 1.618 . . . . . . B 45 CYS HB3 . 19237 1 430 . 1 1 45 45 CYS CB C 13 36.420 . . . . . . B 45 CYS CB . 19237 1 431 . 1 1 45 45 CYS N N 15 120.533 . . . . . . B 45 CYS N . 19237 1 432 . 1 1 46 46 ILE H H 1 8.773 . . . . . . B 46 ILE H . 19237 1 433 . 1 1 46 46 ILE HA H 1 4.159 . . . . . . B 46 ILE HA . 19237 1 434 . 1 1 46 46 ILE HB H 1 2.052 . . . . . . B 46 ILE HB . 19237 1 435 . 1 1 46 46 ILE HG12 H 1 1.309 . . . . . . B 46 ILE HG12 . 19237 1 436 . 1 1 46 46 ILE HG13 H 1 1.549 . . . . . . B 46 ILE HG13 . 19237 1 437 . 1 1 46 46 ILE HG21 H 1 0.390 . . . . . . B 46 ILE HG21 . 19237 1 438 . 1 1 46 46 ILE HG22 H 1 0.390 . . . . . . B 46 ILE HG22 . 19237 1 439 . 1 1 46 46 ILE HG23 H 1 0.390 . . . . . . B 46 ILE HG23 . 19237 1 440 . 1 1 46 46 ILE HD11 H 1 0.598 . . . . . . B 46 ILE HD11 . 19237 1 441 . 1 1 46 46 ILE HD12 H 1 0.598 . . . . . . B 46 ILE HD12 . 19237 1 442 . 1 1 46 46 ILE HD13 H 1 0.598 . . . . . . B 46 ILE HD13 . 19237 1 443 . 1 1 46 46 ILE CA C 13 58.950 . . . . . . B 46 ILE CA . 19237 1 444 . 1 1 46 46 ILE CB C 13 38.351 . . . . . . B 46 ILE CB . 19237 1 445 . 1 1 46 46 ILE CG1 C 13 27.803 . . . . . . B 46 ILE CG1 . 19237 1 446 . 1 1 46 46 ILE CG2 C 13 18.314 . . . . . . B 46 ILE CG2 . 19237 1 447 . 1 1 46 46 ILE CD1 C 13 10.433 . . . . . . B 46 ILE CD1 . 19237 1 448 . 1 1 46 46 ILE N N 15 133.530 . . . . . . B 46 ILE N . 19237 1 449 . 1 1 47 47 CYS H H 1 8.520 . . . . . . B 47 CYS H . 19237 1 450 . 1 1 47 47 CYS HA H 1 5.341 . . . . . . B 47 CYS HA . 19237 1 451 . 1 1 47 47 CYS HB2 H 1 2.734 . . . . . . B 47 CYS HB2 . 19237 1 452 . 1 1 47 47 CYS HB3 H 1 3.008 . . . . . . B 47 CYS HB3 . 19237 1 453 . 1 1 47 47 CYS CA C 13 52.088 . . . . . . B 47 CYS CA . 19237 1 454 . 1 1 47 47 CYS N N 15 120.445 . . . . . . B 47 CYS N . 19237 1 455 . 1 1 48 48 TYR H H 1 7.870 . . . . . . B 48 TYR H . 19237 1 456 . 1 1 48 48 TYR HA H 1 5.280 . . . . . . B 48 TYR HA . 19237 1 457 . 1 1 48 48 TYR HB2 H 1 2.744 . . . . . . B 48 TYR HB2 . 19237 1 458 . 1 1 48 48 TYR HB3 H 1 2.433 . . . . . . B 48 TYR HB3 . 19237 1 459 . 1 1 48 48 TYR HD1 H 1 6.661 . . . . . . B 48 TYR HD1 . 19237 1 460 . 1 1 48 48 TYR HD2 H 1 6.661 . . . . . . B 48 TYR HD2 . 19237 1 461 . 1 1 48 48 TYR HE1 H 1 6.738 . . . . . . B 48 TYR HE1 . 19237 1 462 . 1 1 48 48 TYR HE2 H 1 6.738 . . . . . . B 48 TYR HE2 . 19237 1 463 . 1 1 48 48 TYR CA C 13 57.903 . . . . . . B 48 TYR CA . 19237 1 464 . 1 1 48 48 TYR CB C 13 42.520 . . . . . . B 48 TYR CB . 19237 1 465 . 1 1 48 48 TYR CD1 C 13 133.354 . . . . . . B 48 TYR CD1 . 19237 1 466 . 1 1 48 48 TYR CD2 C 13 133.354 . . . . . . B 48 TYR CD2 . 19237 1 467 . 1 1 48 48 TYR CE1 C 13 119.915 . . . . . . B 48 TYR CE1 . 19237 1 468 . 1 1 48 48 TYR CE2 C 13 119.915 . . . . . . B 48 TYR CE2 . 19237 1 469 . 1 1 48 48 TYR N N 15 116.569 . . . . . . B 48 TYR N . 19237 1 470 . 1 1 49 49 PHE H H 1 9.162 . . . . . . B 49 PHE H . 19237 1 471 . 1 1 49 49 PHE HA H 1 4.961 . . . . . . B 49 PHE HA . 19237 1 472 . 1 1 49 49 PHE HB2 H 1 3.312 . . . . . . B 49 PHE HB2 . 19237 1 473 . 1 1 49 49 PHE HB3 H 1 2.769 . . . . . . B 49 PHE HB3 . 19237 1 474 . 1 1 49 49 PHE HD1 H 1 7.270 . . . . . . B 49 PHE HD1 . 19237 1 475 . 1 1 49 49 PHE HD2 H 1 7.270 . . . . . . B 49 PHE HD2 . 19237 1 476 . 1 1 49 49 PHE HE1 H 1 7.482 . . . . . . B 49 PHE HE1 . 19237 1 477 . 1 1 49 49 PHE HE2 H 1 7.482 . . . . . . B 49 PHE HE2 . 19237 1 478 . 1 1 49 49 PHE HZ H 1 7.346 . . . . . . B 49 PHE HZ . 19237 1 479 . 1 1 49 49 PHE CD1 C 13 133.044 . . . . . . B 49 PHE CD1 . 19237 1 480 . 1 1 49 49 PHE CD2 C 13 133.044 . . . . . . B 49 PHE CD2 . 19237 1 481 . 1 1 49 49 PHE CE1 C 13 133.453 . . . . . . B 49 PHE CE1 . 19237 1 482 . 1 1 49 49 PHE CE2 C 13 133.453 . . . . . . B 49 PHE CE2 . 19237 1 483 . 1 1 49 49 PHE CZ C 13 131.266 . . . . . . B 49 PHE CZ . 19237 1 484 . 1 1 49 49 PHE N N 15 122.029 . . . . . . B 49 PHE N . 19237 1 485 . 1 1 50 50 PRO HA H 1 4.894 . . . . . . B 50 PRO HA . 19237 1 486 . 1 1 50 50 PRO HB2 H 1 2.109 . . . . . . B 50 PRO HB2 . 19237 1 487 . 1 1 50 50 PRO HB3 H 1 2.386 . . . . . . B 50 PRO HB3 . 19237 1 488 . 1 1 50 50 PRO HG2 H 1 1.952 . . . . . . B 50 PRO HG2 . 19237 1 489 . 1 1 50 50 PRO HG3 H 1 2.385 . . . . . . B 50 PRO HG3 . 19237 1 490 . 1 1 50 50 PRO HD2 H 1 3.816 . . . . . . B 50 PRO HD2 . 19237 1 491 . 1 1 50 50 PRO HD3 H 1 4.123 . . . . . . B 50 PRO HD3 . 19237 1 492 . 1 1 50 50 PRO CA C 13 64.668 . . . . . . B 50 PRO CA . 19237 1 493 . 1 1 50 50 PRO CB C 13 32.918 . . . . . . B 50 PRO CB . 19237 1 494 . 1 1 50 50 PRO CG C 13 29.079 . . . . . . B 50 PRO CG . 19237 1 495 . 1 1 50 50 PRO CD C 13 51.958 . . . . . . B 50 PRO CD . 19237 1 496 . 1 1 51 51 CYS H H 1 8.348 . . . . . . B 51 CYS H . 19237 1 497 . 1 1 51 51 CYS HA H 1 4.565 . . . . . . B 51 CYS HA . 19237 1 498 . 1 1 51 51 CYS HB2 H 1 3.401 . . . . . . B 51 CYS HB2 . 19237 1 499 . 1 1 51 51 CYS HB3 H 1 3.201 . . . . . . B 51 CYS HB3 . 19237 1 500 . 1 1 51 51 CYS CA C 13 57.632 . . . . . . B 51 CYS CA . 19237 1 501 . 1 1 51 51 CYS CB C 13 44.537 . . . . . . B 51 CYS CB . 19237 1 502 . 1 1 51 51 CYS N N 15 126.422 . . . . . . B 51 CYS N . 19237 1 stop_ save_