################################### # 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 30695 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 1H-15N NOESY' . . . 30695 1 2 '2D 1H-1H NOESY' . . . 30695 1 3 '2D 1H-15N HSQC' . . . 30695 1 4 '2D 1H-13C HSQC' . . . 30695 1 5 '2D 1H-1H TOCSY' . . . 30695 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 SER HA H 1 3.642 0.000 . 1 . . . . A 1 SER HA . 30695 1 2 . 1 . 1 1 1 SER HB2 H 1 3.914 0.000 . 2 . . . . A 1 SER HB2 . 30695 1 3 . 1 . 1 1 1 SER HB3 H 1 3.871 0.000 . 2 . . . . A 1 SER HB3 . 30695 1 4 . 1 . 1 1 1 SER CA C 13 62.189 0.000 . 1 . . . . A 1 SER CA . 30695 1 5 . 1 . 1 1 1 SER CB C 13 63.035 0.013 . 1 . . . . A 1 SER CB . 30695 1 6 . 1 . 1 2 2 GLU H H 1 8.691 0.002 . 1 . . . . A 2 GLU H . 30695 1 7 . 1 . 1 2 2 GLU HA H 1 4.402 0.001 . 1 . . . . A 2 GLU HA . 30695 1 8 . 1 . 1 2 2 GLU HB2 H 1 1.892 0.001 . 2 . . . . A 2 GLU HB2 . 30695 1 9 . 1 . 1 2 2 GLU HB3 H 1 2.064 0.000 . 2 . . . . A 2 GLU HB3 . 30695 1 10 . 1 . 1 2 2 GLU HG2 H 1 2.340 0.018 . 2 . . . . A 2 GLU HG2 . 30695 1 11 . 1 . 1 2 2 GLU HG3 H 1 2.330 0.000 . 2 . . . . A 2 GLU HG3 . 30695 1 12 . 1 . 1 2 2 GLU CA C 13 55.921 0.000 . 1 . . . . A 2 GLU CA . 30695 1 13 . 1 . 1 2 2 GLU CB C 13 29.915 0.001 . 1 . . . . A 2 GLU CB . 30695 1 14 . 1 . 1 2 2 GLU CG C 13 34.877 0.000 . 1 . . . . A 2 GLU CG . 30695 1 15 . 1 . 1 2 2 GLU N N 15 121.595 0.017 . 1 . . . . A 2 GLU N . 30695 1 16 . 1 . 1 3 3 CYS H H 1 8.287 0.001 . 1 . . . . A 3 CYS H . 30695 1 17 . 1 . 1 3 3 CYS HA H 1 4.477 0.000 . 1 . . . . A 3 CYS HA . 30695 1 18 . 1 . 1 3 3 CYS HB2 H 1 2.995 0.002 . 2 . . . . A 3 CYS HB2 . 30695 1 19 . 1 . 1 3 3 CYS HB3 H 1 2.701 0.000 . 2 . . . . A 3 CYS HB3 . 30695 1 20 . 1 . 1 3 3 CYS CB C 13 41.641 0.004 . 1 . . . . A 3 CYS CB . 30695 1 21 . 1 . 1 3 3 CYS N N 15 119.989 0.022 . 1 . . . . A 3 CYS N . 30695 1 22 . 1 . 1 4 4 ARG H H 1 8.818 0.001 . 1 . . . . A 4 ARG H . 30695 1 23 . 1 . 1 4 4 ARG HA H 1 4.348 0.003 . 1 . . . . A 4 ARG HA . 30695 1 24 . 1 . 1 4 4 ARG HB2 H 1 1.595 0.007 . 1 . . . . A 4 ARG HB2 . 30695 1 25 . 1 . 1 4 4 ARG HB3 H 1 1.961 0.002 . 1 . . . . A 4 ARG HB3 . 30695 1 26 . 1 . 1 4 4 ARG HG2 H 1 1.732 0.001 . 1 . . . . A 4 ARG HG2 . 30695 1 27 . 1 . 1 4 4 ARG HG3 H 1 1.935 0.000 . 1 . . . . A 4 ARG HG3 . 30695 1 28 . 1 . 1 4 4 ARG HD2 H 1 3.179 0.002 . 2 . . . . A 4 ARG HD2 . 30695 1 29 . 1 . 1 4 4 ARG HD3 H 1 3.179 0.002 . 2 . . . . A 4 ARG HD3 . 30695 1 30 . 1 . 1 4 4 ARG HE H 1 7.150 0.002 . 1 . . . . A 4 ARG HE . 30695 1 31 . 1 . 1 4 4 ARG CA C 13 55.216 0.000 . 1 . . . . A 4 ARG CA . 30695 1 32 . 1 . 1 4 4 ARG CB C 13 31.671 0.000 . 1 . . . . A 4 ARG CB . 30695 1 33 . 1 . 1 4 4 ARG CG C 13 27.436 0.002 . 1 . . . . A 4 ARG CG . 30695 1 34 . 1 . 1 4 4 ARG CD C 13 43.150 0.000 . 1 . . . . A 4 ARG CD . 30695 1 35 . 1 . 1 4 4 ARG N N 15 120.777 0.016 . 1 . . . . A 4 ARG N . 30695 1 36 . 1 . 1 4 4 ARG NE N 15 86.034 0.042 . 1 . . . . A 4 ARG NE . 30695 1 37 . 1 . 1 5 5 TYR H H 1 8.117 0.001 . 1 . . . . A 5 TYR H . 30695 1 38 . 1 . 1 5 5 TYR HA H 1 4.169 0.000 . 1 . . . . A 5 TYR HA . 30695 1 39 . 1 . 1 5 5 TYR HB2 H 1 2.795 0.015 . 2 . . . . A 5 TYR HB2 . 30695 1 40 . 1 . 1 5 5 TYR HB3 H 1 3.102 0.006 . 2 . . . . A 5 TYR HB3 . 30695 1 41 . 1 . 1 5 5 TYR HD1 H 1 7.072 0.000 . 1 . . . . A 5 TYR HD1 . 30695 1 42 . 1 . 1 5 5 TYR HD2 H 1 7.072 0.000 . 1 . . . . A 5 TYR HD2 . 30695 1 43 . 1 . 1 5 5 TYR HE1 H 1 6.860 0.000 . 1 . . . . A 5 TYR HE1 . 30695 1 44 . 1 . 1 5 5 TYR HE2 H 1 6.860 0.000 . 1 . . . . A 5 TYR HE2 . 30695 1 45 . 1 . 1 5 5 TYR CA C 13 56.232 0.000 . 1 . . . . A 5 TYR CA . 30695 1 46 . 1 . 1 5 5 TYR CB C 13 39.005 0.000 . 1 . . . . A 5 TYR CB . 30695 1 47 . 1 . 1 5 5 TYR CD2 C 13 133.039 0.000 . 1 . . . . A 5 TYR CD2 . 30695 1 48 . 1 . 1 5 5 TYR CE2 C 13 118.930 0.000 . 1 . . . . A 5 TYR CE2 . 30695 1 49 . 1 . 1 5 5 TYR N N 15 121.480 0.013 . 1 . . . . A 5 TYR N . 30695 1 50 . 1 . 1 6 6 LEU H H 1 6.615 0.000 . 1 . . . . A 6 LEU H . 30695 1 51 . 1 . 1 6 6 LEU HA H 1 3.311 0.001 . 1 . . . . A 6 LEU HA . 30695 1 52 . 1 . 1 6 6 LEU HB2 H 1 1.114 0.002 . 1 . . . . A 6 LEU HB2 . 30695 1 53 . 1 . 1 6 6 LEU HB3 H 1 0.564 0.000 . 1 . . . . A 6 LEU HB3 . 30695 1 54 . 1 . 1 6 6 LEU HG H 1 0.504 0.002 . 1 . . . . A 6 LEU HG . 30695 1 55 . 1 . 1 6 6 LEU HD11 H 1 0.196 0.001 . 1 . . . . A 6 LEU HD11 . 30695 1 56 . 1 . 1 6 6 LEU HD12 H 1 0.196 0.001 . 1 . . . . A 6 LEU HD12 . 30695 1 57 . 1 . 1 6 6 LEU HD13 H 1 0.196 0.001 . 1 . . . . A 6 LEU HD13 . 30695 1 58 . 1 . 1 6 6 LEU HD21 H 1 0.093 0.001 . 1 . . . . A 6 LEU HD21 . 30695 1 59 . 1 . 1 6 6 LEU HD22 H 1 0.093 0.001 . 1 . . . . A 6 LEU HD22 . 30695 1 60 . 1 . 1 6 6 LEU HD23 H 1 0.093 0.001 . 1 . . . . A 6 LEU HD23 . 30695 1 61 . 1 . 1 6 6 LEU CA C 13 56.626 0.000 . 1 . . . . A 6 LEU CA . 30695 1 62 . 1 . 1 6 6 LEU CB C 13 42.173 0.002 . 1 . . . . A 6 LEU CB . 30695 1 63 . 1 . 1 6 6 LEU CG C 13 26.031 0.000 . 1 . . . . A 6 LEU CG . 30695 1 64 . 1 . 1 6 6 LEU CD1 C 13 22.868 0.000 . 1 . . . . A 6 LEU CD1 . 30695 1 65 . 1 . 1 6 6 LEU CD2 C 13 25.378 0.000 . 1 . . . . A 6 LEU CD2 . 30695 1 66 . 1 . 1 6 6 LEU N N 15 121.299 0.000 . 1 . . . . A 6 LEU N . 30695 1 67 . 1 . 1 7 7 PHE H H 1 8.840 0.002 . 1 . . . . A 7 PHE H . 30695 1 68 . 1 . 1 7 7 PHE HA H 1 3.741 0.003 . 1 . . . . A 7 PHE HA . 30695 1 69 . 1 . 1 7 7 PHE HB2 H 1 3.376 0.000 . 2 . . . . A 7 PHE HB2 . 30695 1 70 . 1 . 1 7 7 PHE HB3 H 1 3.033 0.011 . 2 . . . . A 7 PHE HB3 . 30695 1 71 . 1 . 1 7 7 PHE HD1 H 1 6.591 0.000 . 1 . . . . A 7 PHE HD1 . 30695 1 72 . 1 . 1 7 7 PHE HD2 H 1 6.591 0.000 . 1 . . . . A 7 PHE HD2 . 30695 1 73 . 1 . 1 7 7 PHE HE1 H 1 7.176 0.000 . 1 . . . . A 7 PHE HE1 . 30695 1 74 . 1 . 1 7 7 PHE HE2 H 1 7.176 0.000 . 1 . . . . A 7 PHE HE2 . 30695 1 75 . 1 . 1 7 7 PHE HZ H 1 7.176 0.000 . 1 . . . . A 7 PHE HZ . 30695 1 76 . 1 . 1 7 7 PHE CA C 13 60.415 0.000 . 1 . . . . A 7 PHE CA . 30695 1 77 . 1 . 1 7 7 PHE CB C 13 36.125 0.000 . 1 . . . . A 7 PHE CB . 30695 1 78 . 1 . 1 7 7 PHE CD2 C 13 131.124 0.000 . 1 . . . . A 7 PHE CD2 . 30695 1 79 . 1 . 1 7 7 PHE CE1 C 13 131.255 0.000 . 1 . . . . A 7 PHE CE1 . 30695 1 80 . 1 . 1 7 7 PHE CZ C 13 129.459 0.000 . 1 . . . . A 7 PHE CZ . 30695 1 81 . 1 . 1 7 7 PHE N N 15 117.712 0.013 . 1 . . . . A 7 PHE N . 30695 1 82 . 1 . 1 8 8 GLY H H 1 9.099 0.001 . 1 . . . . A 8 GLY H . 30695 1 83 . 1 . 1 8 8 GLY HA2 H 1 4.102 0.006 . 1 . . . . A 8 GLY HA2 . 30695 1 84 . 1 . 1 8 8 GLY HA3 H 1 3.424 0.005 . 1 . . . . A 8 GLY HA3 . 30695 1 85 . 1 . 1 8 8 GLY CA C 13 45.247 0.023 . 1 . . . . A 8 GLY CA . 30695 1 86 . 1 . 1 8 8 GLY N N 15 111.098 0.008 . 1 . . . . A 8 GLY N . 30695 1 87 . 1 . 1 9 9 GLY H H 1 8.611 0.003 . 1 . . . . A 9 GLY H . 30695 1 88 . 1 . 1 9 9 GLY HA2 H 1 4.415 0.007 . 1 . . . . A 9 GLY HA2 . 30695 1 89 . 1 . 1 9 9 GLY HA3 H 1 3.709 0.006 . 1 . . . . A 9 GLY HA3 . 30695 1 90 . 1 . 1 9 9 GLY CA C 13 45.940 0.001 . 1 . . . . A 9 GLY CA . 30695 1 91 . 1 . 1 9 9 GLY N N 15 110.703 0.009 . 1 . . . . A 9 GLY N . 30695 1 92 . 1 . 1 10 10 CYS H H 1 7.736 0.001 . 1 . . . . A 10 CYS H . 30695 1 93 . 1 . 1 10 10 CYS HA H 1 4.825 0.001 . 1 . . . . A 10 CYS HA . 30695 1 94 . 1 . 1 10 10 CYS HB2 H 1 3.153 0.016 . 1 . . . . A 10 CYS HB2 . 30695 1 95 . 1 . 1 10 10 CYS HB3 H 1 3.131 0.000 . 1 . . . . A 10 CYS HB3 . 30695 1 96 . 1 . 1 10 10 CYS CA C 13 53.680 0.000 . 1 . . . . A 10 CYS CA . 30695 1 97 . 1 . 1 10 10 CYS CB C 13 47.439 0.000 . 1 . . . . A 10 CYS CB . 30695 1 98 . 1 . 1 10 10 CYS N N 15 115.457 0.012 . 1 . . . . A 10 CYS N . 30695 1 99 . 1 . 1 11 11 LYS H H 1 9.302 0.001 . 1 . . . . A 11 LYS H . 30695 1 100 . 1 . 1 11 11 LYS HA H 1 4.468 0.011 . 1 . . . . A 11 LYS HA . 30695 1 101 . 1 . 1 11 11 LYS HB2 H 1 1.796 0.001 . 2 . . . . A 11 LYS HB2 . 30695 1 102 . 1 . 1 11 11 LYS HB3 H 1 1.796 0.001 . 2 . . . . A 11 LYS HB3 . 30695 1 103 . 1 . 1 11 11 LYS HG2 H 1 1.373 0.001 . 2 . . . . A 11 LYS HG2 . 30695 1 104 . 1 . 1 11 11 LYS HG3 H 1 1.285 0.001 . 2 . . . . A 11 LYS HG3 . 30695 1 105 . 1 . 1 11 11 LYS HD2 H 1 1.534 0.002 . 2 . . . . A 11 LYS HD2 . 30695 1 106 . 1 . 1 11 11 LYS HD3 H 1 1.534 0.002 . 2 . . . . A 11 LYS HD3 . 30695 1 107 . 1 . 1 11 11 LYS HE2 H 1 2.828 0.003 . 2 . . . . A 11 LYS HE2 . 30695 1 108 . 1 . 1 11 11 LYS HE3 H 1 2.828 0.003 . 2 . . . . A 11 LYS HE3 . 30695 1 109 . 1 . 1 11 11 LYS CA C 13 54.634 0.000 . 1 . . . . A 11 LYS CA . 30695 1 110 . 1 . 1 11 11 LYS CB C 13 34.343 0.000 . 1 . . . . A 11 LYS CB . 30695 1 111 . 1 . 1 11 11 LYS CG C 13 24.921 0.005 . 1 . . . . A 11 LYS CG . 30695 1 112 . 1 . 1 11 11 LYS CD C 13 28.656 0.000 . 1 . . . . A 11 LYS CD . 30695 1 113 . 1 . 1 11 11 LYS CE C 13 41.981 0.000 . 1 . . . . A 11 LYS CE . 30695 1 114 . 1 . 1 11 11 LYS N N 15 117.764 0.027 . 1 . . . . A 11 LYS N . 30695 1 115 . 1 . 1 12 12 THR H H 1 7.797 0.002 . 1 . . . . A 12 THR H . 30695 1 116 . 1 . 1 12 12 THR HA H 1 4.618 0.002 . 1 . . . . A 12 THR HA . 30695 1 117 . 1 . 1 12 12 THR HB H 1 4.395 0.003 . 1 . . . . A 12 THR HB . 30695 1 118 . 1 . 1 12 12 THR HG21 H 1 1.120 0.002 . 1 . . . . A 12 THR HG21 . 30695 1 119 . 1 . 1 12 12 THR HG22 H 1 1.120 0.002 . 1 . . . . A 12 THR HG22 . 30695 1 120 . 1 . 1 12 12 THR HG23 H 1 1.120 0.002 . 1 . . . . A 12 THR HG23 . 30695 1 121 . 1 . 1 12 12 THR CA C 13 59.325 0.000 . 1 . . . . A 12 THR CA . 30695 1 122 . 1 . 1 12 12 THR CB C 13 73.014 0.000 . 1 . . . . A 12 THR CB . 30695 1 123 . 1 . 1 12 12 THR CG2 C 13 21.071 0.000 . 1 . . . . A 12 THR CG2 . 30695 1 124 . 1 . 1 12 12 THR N N 15 107.634 0.013 . 1 . . . . A 12 THR N . 30695 1 125 . 1 . 1 13 13 THR H H 1 9.177 0.001 . 1 . . . . A 13 THR H . 30695 1 126 . 1 . 1 13 13 THR HA H 1 3.639 0.006 . 1 . . . . A 13 THR HA . 30695 1 127 . 1 . 1 13 13 THR HB H 1 4.172 0.001 . 1 . . . . A 13 THR HB . 30695 1 128 . 1 . 1 13 13 THR HG21 H 1 1.374 0.002 . 1 . . . . A 13 THR HG21 . 30695 1 129 . 1 . 1 13 13 THR HG22 H 1 1.374 0.002 . 1 . . . . A 13 THR HG22 . 30695 1 130 . 1 . 1 13 13 THR HG23 H 1 1.374 0.002 . 1 . . . . A 13 THR HG23 . 30695 1 131 . 1 . 1 13 13 THR CA C 13 64.691 2.485 . 1 . . . . A 13 THR CA . 30695 1 132 . 1 . 1 13 13 THR CB C 13 69.399 0.000 . 1 . . . . A 13 THR CB . 30695 1 133 . 1 . 1 13 13 THR CG2 C 13 23.680 0.000 . 1 . . . . A 13 THR CG2 . 30695 1 134 . 1 . 1 13 13 THR N N 15 121.735 0.001 . 1 . . . . A 13 THR N . 30695 1 135 . 1 . 1 14 14 ALA H H 1 7.830 0.001 . 1 . . . . A 14 ALA H . 30695 1 136 . 1 . 1 14 14 ALA HA H 1 4.094 0.002 . 1 . . . . A 14 ALA HA . 30695 1 137 . 1 . 1 14 14 ALA HB1 H 1 1.266 0.004 . 1 . . . . A 14 ALA HB1 . 30695 1 138 . 1 . 1 14 14 ALA HB2 H 1 1.266 0.004 . 1 . . . . A 14 ALA HB2 . 30695 1 139 . 1 . 1 14 14 ALA HB3 H 1 1.266 0.004 . 1 . . . . A 14 ALA HB3 . 30695 1 140 . 1 . 1 14 14 ALA CA C 13 54.200 0.000 . 1 . . . . A 14 ALA CA . 30695 1 141 . 1 . 1 14 14 ALA CB C 13 18.221 0.000 . 1 . . . . A 14 ALA CB . 30695 1 142 . 1 . 1 14 14 ALA N N 15 123.291 0.025 . 1 . . . . A 14 ALA N . 30695 1 143 . 1 . 1 15 15 ASP H H 1 7.644 0.002 . 1 . . . . A 15 ASP H . 30695 1 144 . 1 . 1 15 15 ASP HA H 1 4.404 0.001 . 1 . . . . A 15 ASP HA . 30695 1 145 . 1 . 1 15 15 ASP HB2 H 1 2.830 0.003 . 1 . . . . A 15 ASP HB2 . 30695 1 146 . 1 . 1 15 15 ASP HB3 H 1 2.831 0.000 . 1 . . . . A 15 ASP HB3 . 30695 1 147 . 1 . 1 15 15 ASP CB C 13 42.344 0.000 . 1 . . . . A 15 ASP CB . 30695 1 148 . 1 . 1 15 15 ASP N N 15 114.976 0.022 . 1 . . . . A 15 ASP N . 30695 1 149 . 1 . 1 16 16 CYS H H 1 7.976 0.002 . 1 . . . . A 16 CYS H . 30695 1 150 . 1 . 1 16 16 CYS HA H 1 5.060 0.001 . 1 . . . . A 16 CYS HA . 30695 1 151 . 1 . 1 16 16 CYS HB2 H 1 2.764 0.001 . 1 . . . . A 16 CYS HB2 . 30695 1 152 . 1 . 1 16 16 CYS HB3 H 1 3.039 0.013 . 1 . . . . A 16 CYS HB3 . 30695 1 153 . 1 . 1 16 16 CYS CA C 13 53.384 0.000 . 1 . . . . A 16 CYS CA . 30695 1 154 . 1 . 1 16 16 CYS CB C 13 41.128 0.003 . 1 . . . . A 16 CYS CB . 30695 1 155 . 1 . 1 16 16 CYS N N 15 117.958 0.024 . 1 . . . . A 16 CYS N . 30695 1 156 . 1 . 1 17 17 CYS H H 1 8.987 0.000 . 1 . . . . A 17 CYS H . 30695 1 157 . 1 . 1 17 17 CYS HA H 1 4.524 0.000 . 1 . . . . A 17 CYS HA . 30695 1 158 . 1 . 1 17 17 CYS HB2 H 1 3.308 0.005 . 1 . . . . A 17 CYS HB2 . 30695 1 159 . 1 . 1 17 17 CYS HB3 H 1 2.156 0.008 . 1 . . . . A 17 CYS HB3 . 30695 1 160 . 1 . 1 17 17 CYS CA C 13 53.534 0.000 . 1 . . . . A 17 CYS CA . 30695 1 161 . 1 . 1 17 17 CYS CB C 13 39.138 0.020 . 1 . . . . A 17 CYS CB . 30695 1 162 . 1 . 1 17 17 CYS N N 15 120.579 0.023 . 1 . . . . A 17 CYS N . 30695 1 163 . 1 . 1 18 18 LYS H H 1 7.796 0.002 . 1 . . . . A 18 LYS H . 30695 1 164 . 1 . 1 18 18 LYS HA H 1 3.892 0.003 . 1 . . . . A 18 LYS HA . 30695 1 165 . 1 . 1 18 18 LYS HB2 H 1 1.375 0.001 . 1 . . . . A 18 LYS HB2 . 30695 1 166 . 1 . 1 18 18 LYS HB3 H 1 1.595 0.007 . 1 . . . . A 18 LYS HB3 . 30695 1 167 . 1 . 1 18 18 LYS HG2 H 1 1.167 0.002 . 2 . . . . A 18 LYS HG2 . 30695 1 168 . 1 . 1 18 18 LYS HG3 H 1 0.933 0.002 . 2 . . . . A 18 LYS HG3 . 30695 1 169 . 1 . 1 18 18 LYS HD2 H 1 1.527 0.001 . 2 . . . . A 18 LYS HD2 . 30695 1 170 . 1 . 1 18 18 LYS HD3 H 1 1.527 0.001 . 2 . . . . A 18 LYS HD3 . 30695 1 171 . 1 . 1 18 18 LYS HE2 H 1 2.839 0.003 . 2 . . . . A 18 LYS HE2 . 30695 1 172 . 1 . 1 18 18 LYS HE3 H 1 2.839 0.003 . 2 . . . . A 18 LYS HE3 . 30695 1 173 . 1 . 1 18 18 LYS CA C 13 57.998 0.000 . 1 . . . . A 18 LYS CA . 30695 1 174 . 1 . 1 18 18 LYS CB C 13 32.458 0.001 . 1 . . . . A 18 LYS CB . 30695 1 175 . 1 . 1 18 18 LYS CG C 13 24.491 0.006 . 1 . . . . A 18 LYS CG . 30695 1 176 . 1 . 1 18 18 LYS CD C 13 29.003 0.000 . 1 . . . . A 18 LYS CD . 30695 1 177 . 1 . 1 18 18 LYS CE C 13 42.607 0.000 . 1 . . . . A 18 LYS CE . 30695 1 178 . 1 . 1 18 18 LYS N N 15 117.487 0.015 . 1 . . . . A 18 LYS N . 30695 1 179 . 1 . 1 19 19 HIS H H 1 8.518 0.002 . 1 . . . . A 19 HIS H . 30695 1 180 . 1 . 1 19 19 HIS HA H 1 4.226 0.009 . 1 . . . . A 19 HIS HA . 30695 1 181 . 1 . 1 19 19 HIS HB2 H 1 3.587 0.004 . 1 . . . . A 19 HIS HB2 . 30695 1 182 . 1 . 1 19 19 HIS HB3 H 1 3.936 0.018 . 1 . . . . A 19 HIS HB3 . 30695 1 183 . 1 . 1 19 19 HIS HD2 H 1 7.198 0.000 . 1 . . . . A 19 HIS HD2 . 30695 1 184 . 1 . 1 19 19 HIS HE1 H 1 8.553 0.000 . 1 . . . . A 19 HIS HE1 . 30695 1 185 . 1 . 1 19 19 HIS CA C 13 57.952 0.019 . 1 . . . . A 19 HIS CA . 30695 1 186 . 1 . 1 19 19 HIS CB C 13 26.631 0.000 . 1 . . . . A 19 HIS CB . 30695 1 187 . 1 . 1 19 19 HIS CD2 C 13 119.906 0.000 . 1 . . . . A 19 HIS CD2 . 30695 1 188 . 1 . 1 19 19 HIS CE1 C 13 136.414 0.000 . 1 . . . . A 19 HIS CE1 . 30695 1 189 . 1 . 1 19 19 HIS N N 15 112.055 0.028 . 1 . . . . A 19 HIS N . 30695 1 190 . 1 . 1 20 20 LEU H H 1 7.891 0.002 . 1 . . . . A 20 LEU H . 30695 1 191 . 1 . 1 20 20 LEU HA H 1 5.018 0.004 . 1 . . . . A 20 LEU HA . 30695 1 192 . 1 . 1 20 20 LEU HB2 H 1 1.995 0.003 . 1 . . . . A 20 LEU HB2 . 30695 1 193 . 1 . 1 20 20 LEU HB3 H 1 0.956 0.006 . 1 . . . . A 20 LEU HB3 . 30695 1 194 . 1 . 1 20 20 LEU HG H 1 1.181 0.001 . 1 . . . . A 20 LEU HG . 30695 1 195 . 1 . 1 20 20 LEU HD11 H 1 0.495 0.003 . 1 . . . . A 20 LEU HD11 . 30695 1 196 . 1 . 1 20 20 LEU HD12 H 1 0.495 0.003 . 1 . . . . A 20 LEU HD12 . 30695 1 197 . 1 . 1 20 20 LEU HD13 H 1 0.495 0.003 . 1 . . . . A 20 LEU HD13 . 30695 1 198 . 1 . 1 20 20 LEU HD21 H 1 -0.196 0.002 . 1 . . . . A 20 LEU HD21 . 30695 1 199 . 1 . 1 20 20 LEU HD22 H 1 -0.196 0.002 . 1 . . . . A 20 LEU HD22 . 30695 1 200 . 1 . 1 20 20 LEU HD23 H 1 -0.196 0.002 . 1 . . . . A 20 LEU HD23 . 30695 1 201 . 1 . 1 20 20 LEU CA C 13 53.907 0.000 . 1 . . . . A 20 LEU CA . 30695 1 202 . 1 . 1 20 20 LEU CB C 13 44.444 0.002 . 1 . . . . A 20 LEU CB . 30695 1 203 . 1 . 1 20 20 LEU CG C 13 26.900 0.000 . 1 . . . . A 20 LEU CG . 30695 1 204 . 1 . 1 20 20 LEU CD1 C 13 27.242 0.000 . 1 . . . . A 20 LEU CD1 . 30695 1 205 . 1 . 1 20 20 LEU CD2 C 13 24.863 0.000 . 1 . . . . A 20 LEU CD2 . 30695 1 206 . 1 . 1 20 20 LEU N N 15 119.138 0.010 . 1 . . . . A 20 LEU N . 30695 1 207 . 1 . 1 21 21 GLY H H 1 9.291 0.001 . 1 . . . . A 21 GLY H . 30695 1 208 . 1 . 1 21 21 GLY HA2 H 1 4.580 0.001 . 1 . . . . A 21 GLY HA2 . 30695 1 209 . 1 . 1 21 21 GLY HA3 H 1 3.644 0.003 . 1 . . . . A 21 GLY HA3 . 30695 1 210 . 1 . 1 21 21 GLY CA C 13 43.838 0.006 . 1 . . . . A 21 GLY CA . 30695 1 211 . 1 . 1 21 21 GLY N N 15 106.909 0.009 . 1 . . . . A 21 GLY N . 30695 1 212 . 1 . 1 22 22 CYS H H 1 8.500 0.001 . 1 . . . . A 22 CYS H . 30695 1 213 . 1 . 1 22 22 CYS HA H 1 4.461 0.000 . 1 . . . . A 22 CYS HA . 30695 1 214 . 1 . 1 22 22 CYS HB2 H 1 2.286 0.013 . 1 . . . . A 22 CYS HB2 . 30695 1 215 . 1 . 1 22 22 CYS HB3 H 1 2.610 0.004 . 1 . . . . A 22 CYS HB3 . 30695 1 216 . 1 . 1 22 22 CYS CA C 13 57.194 0.060 . 1 . . . . A 22 CYS CA . 30695 1 217 . 1 . 1 22 22 CYS CB C 13 40.888 0.000 . 1 . . . . A 22 CYS CB . 30695 1 218 . 1 . 1 22 22 CYS N N 15 121.524 0.018 . 1 . . . . A 22 CYS N . 30695 1 219 . 1 . 1 23 23 ARG H H 1 8.025 0.000 . 1 . . . . A 23 ARG H . 30695 1 220 . 1 . 1 23 23 ARG HA H 1 3.916 0.002 . 1 . . . . A 23 ARG HA . 30695 1 221 . 1 . 1 23 23 ARG HB2 H 1 1.238 0.002 . 2 . . . . A 23 ARG HB2 . 30695 1 222 . 1 . 1 23 23 ARG HB3 H 1 1.238 0.002 . 2 . . . . A 23 ARG HB3 . 30695 1 223 . 1 . 1 23 23 ARG HG2 H 1 1.123 0.002 . 1 . . . . A 23 ARG HG2 . 30695 1 224 . 1 . 1 23 23 ARG HG3 H 1 1.124 0.002 . 1 . . . . A 23 ARG HG3 . 30695 1 225 . 1 . 1 23 23 ARG HD2 H 1 2.538 0.001 . 1 . . . . A 23 ARG HD2 . 30695 1 226 . 1 . 1 23 23 ARG HD3 H 1 2.284 0.003 . 1 . . . . A 23 ARG HD3 . 30695 1 227 . 1 . 1 23 23 ARG HE H 1 8.328 0.000 . 1 . . . . A 23 ARG HE . 30695 1 228 . 1 . 1 23 23 ARG CB C 13 30.336 0.000 . 1 . . . . A 23 ARG CB . 30695 1 229 . 1 . 1 23 23 ARG CG C 13 25.540 0.000 . 1 . . . . A 23 ARG CG . 30695 1 230 . 1 . 1 23 23 ARG CD C 13 43.179 0.002 . 1 . . . . A 23 ARG CD . 30695 1 231 . 1 . 1 23 23 ARG N N 15 130.125 0.000 . 1 . . . . A 23 ARG N . 30695 1 232 . 1 . 1 23 23 ARG NE N 15 83.481 0.000 . 1 . . . . A 23 ARG NE . 30695 1 233 . 1 . 1 24 24 THR H H 1 7.997 0.007 . 1 . . . . A 24 THR H . 30695 1 234 . 1 . 1 24 24 THR HA H 1 3.144 0.005 . 1 . . . . A 24 THR HA . 30695 1 235 . 1 . 1 24 24 THR HB H 1 4.222 0.001 . 1 . . . . A 24 THR HB . 30695 1 236 . 1 . 1 24 24 THR HG21 H 1 1.053 0.002 . 1 . . . . A 24 THR HG21 . 30695 1 237 . 1 . 1 24 24 THR HG22 H 1 1.053 0.002 . 1 . . . . A 24 THR HG22 . 30695 1 238 . 1 . 1 24 24 THR HG23 H 1 1.053 0.002 . 1 . . . . A 24 THR HG23 . 30695 1 239 . 1 . 1 24 24 THR CA C 13 62.726 0.000 . 1 . . . . A 24 THR CA . 30695 1 240 . 1 . 1 24 24 THR CB C 13 68.084 0.000 . 1 . . . . A 24 THR CB . 30695 1 241 . 1 . 1 24 24 THR CG2 C 13 21.707 0.000 . 1 . . . . A 24 THR CG2 . 30695 1 242 . 1 . 1 24 24 THR N N 15 115.229 0.011 . 1 . . . . A 24 THR N . 30695 1 243 . 1 . 1 25 25 ASP H H 1 8.246 0.000 . 1 . . . . A 25 ASP H . 30695 1 244 . 1 . 1 25 25 ASP HA H 1 4.274 0.001 . 1 . . . . A 25 ASP HA . 30695 1 245 . 1 . 1 25 25 ASP HB2 H 1 2.682 0.000 . 2 . . . . A 25 ASP HB2 . 30695 1 246 . 1 . 1 25 25 ASP HB3 H 1 2.592 0.001 . 2 . . . . A 25 ASP HB3 . 30695 1 247 . 1 . 1 25 25 ASP CA C 13 54.641 0.000 . 1 . . . . A 25 ASP CA . 30695 1 248 . 1 . 1 25 25 ASP CB C 13 41.194 0.000 . 1 . . . . A 25 ASP CB . 30695 1 249 . 1 . 1 25 25 ASP N N 15 116.915 0.000 . 1 . . . . A 25 ASP N . 30695 1 250 . 1 . 1 26 26 LEU H H 1 7.643 0.002 . 1 . . . . A 26 LEU H . 30695 1 251 . 1 . 1 26 26 LEU HA H 1 4.330 0.003 . 1 . . . . A 26 LEU HA . 30695 1 252 . 1 . 1 26 26 LEU HB2 H 1 1.624 0.003 . 1 . . . . A 26 LEU HB2 . 30695 1 253 . 1 . 1 26 26 LEU HB3 H 1 0.850 0.000 . 1 . . . . A 26 LEU HB3 . 30695 1 254 . 1 . 1 26 26 LEU HG H 1 1.274 0.003 . 1 . . . . A 26 LEU HG . 30695 1 255 . 1 . 1 26 26 LEU HD11 H 1 0.820 0.001 . 2 . . . . A 26 LEU HD11 . 30695 1 256 . 1 . 1 26 26 LEU HD12 H 1 0.820 0.001 . 2 . . . . A 26 LEU HD12 . 30695 1 257 . 1 . 1 26 26 LEU HD13 H 1 0.820 0.001 . 2 . . . . A 26 LEU HD13 . 30695 1 258 . 1 . 1 26 26 LEU HD21 H 1 0.844 0.000 . 2 . . . . A 26 LEU HD21 . 30695 1 259 . 1 . 1 26 26 LEU HD22 H 1 0.844 0.000 . 2 . . . . A 26 LEU HD22 . 30695 1 260 . 1 . 1 26 26 LEU HD23 H 1 0.844 0.000 . 2 . . . . A 26 LEU HD23 . 30695 1 261 . 1 . 1 26 26 LEU CA C 13 54.332 0.000 . 1 . . . . A 26 LEU CA . 30695 1 262 . 1 . 1 26 26 LEU CB C 13 44.478 0.015 . 1 . . . . A 26 LEU CB . 30695 1 263 . 1 . 1 26 26 LEU CG C 13 27.305 0.000 . 1 . . . . A 26 LEU CG . 30695 1 264 . 1 . 1 26 26 LEU CD1 C 13 22.364 0.000 . 1 . . . . A 26 LEU CD1 . 30695 1 265 . 1 . 1 26 26 LEU CD2 C 13 25.629 0.000 . 1 . . . . A 26 LEU CD2 . 30695 1 266 . 1 . 1 26 26 LEU N N 15 119.887 0.008 . 1 . . . . A 26 LEU N . 30695 1 267 . 1 . 1 27 27 TYR H H 1 7.605 0.002 . 1 . . . . A 27 TYR H . 30695 1 268 . 1 . 1 27 27 TYR HA H 1 3.881 0.007 . 1 . . . . A 27 TYR HA . 30695 1 269 . 1 . 1 27 27 TYR HB2 H 1 3.684 0.001 . 1 . . . . A 27 TYR HB2 . 30695 1 270 . 1 . 1 27 27 TYR HB3 H 1 2.839 0.007 . 1 . . . . A 27 TYR HB3 . 30695 1 271 . 1 . 1 27 27 TYR HD1 H 1 6.927 0.000 . 1 . . . . A 27 TYR HD1 . 30695 1 272 . 1 . 1 27 27 TYR HD2 H 1 6.927 0.000 . 1 . . . . A 27 TYR HD2 . 30695 1 273 . 1 . 1 27 27 TYR HE1 H 1 6.714 0.000 . 1 . . . . A 27 TYR HE1 . 30695 1 274 . 1 . 1 27 27 TYR HE2 H 1 6.714 0.000 . 1 . . . . A 27 TYR HE2 . 30695 1 275 . 1 . 1 27 27 TYR CA C 13 59.149 1.111 . 1 . . . . A 27 TYR CA . 30695 1 276 . 1 . 1 27 27 TYR CB C 13 34.120 0.030 . 1 . . . . A 27 TYR CB . 30695 1 277 . 1 . 1 27 27 TYR CD1 C 13 132.871 0.000 . 1 . . . . A 27 TYR CD1 . 30695 1 278 . 1 . 1 27 27 TYR CE1 C 13 118.378 0.000 . 1 . . . . A 27 TYR CE1 . 30695 1 279 . 1 . 1 27 27 TYR N N 15 116.181 0.011 . 1 . . . . A 27 TYR N . 30695 1 280 . 1 . 1 28 28 TYR H H 1 6.559 0.001 . 1 . . . . A 28 TYR H . 30695 1 281 . 1 . 1 28 28 TYR HA H 1 5.441 0.002 . 1 . . . . A 28 TYR HA . 30695 1 282 . 1 . 1 28 28 TYR HB2 H 1 2.600 0.001 . 1 . . . . A 28 TYR HB2 . 30695 1 283 . 1 . 1 28 28 TYR HB3 H 1 2.669 0.019 . 1 . . . . A 28 TYR HB3 . 30695 1 284 . 1 . 1 28 28 TYR HD1 H 1 6.848 0.000 . 1 . . . . A 28 TYR HD1 . 30695 1 285 . 1 . 1 28 28 TYR HD2 H 1 6.848 0.000 . 1 . . . . A 28 TYR HD2 . 30695 1 286 . 1 . 1 28 28 TYR HE1 H 1 6.655 0.000 . 1 . . . . A 28 TYR HE1 . 30695 1 287 . 1 . 1 28 28 TYR HE2 H 1 6.655 0.000 . 1 . . . . A 28 TYR HE2 . 30695 1 288 . 1 . 1 28 28 TYR CA C 13 56.087 0.000 . 1 . . . . A 28 TYR CA . 30695 1 289 . 1 . 1 28 28 TYR CB C 13 38.774 0.000 . 1 . . . . A 28 TYR CB . 30695 1 290 . 1 . 1 28 28 TYR CD2 C 13 133.791 0.000 . 1 . . . . A 28 TYR CD2 . 30695 1 291 . 1 . 1 28 28 TYR CE1 C 13 118.157 0.000 . 1 . . . . A 28 TYR CE1 . 30695 1 292 . 1 . 1 28 28 TYR N N 15 111.387 0.007 . 1 . . . . A 28 TYR N . 30695 1 293 . 1 . 1 29 29 CYS H H 1 8.848 0.000 . 1 . . . . A 29 CYS H . 30695 1 294 . 1 . 1 29 29 CYS HA H 1 4.762 0.003 . 1 . . . . A 29 CYS HA . 30695 1 295 . 1 . 1 29 29 CYS HB2 H 1 2.874 0.006 . 1 . . . . A 29 CYS HB2 . 30695 1 296 . 1 . 1 29 29 CYS HB3 H 1 2.401 0.008 . 1 . . . . A 29 CYS HB3 . 30695 1 297 . 1 . 1 29 29 CYS CA C 13 55.446 0.000 . 1 . . . . A 29 CYS CA . 30695 1 298 . 1 . 1 29 29 CYS CB C 13 40.729 0.000 . 1 . . . . A 29 CYS CB . 30695 1 299 . 1 . 1 29 29 CYS N N 15 119.349 0.014 . 1 . . . . A 29 CYS N . 30695 1 300 . 1 . 1 30 30 ALA H H 1 9.480 0.003 . 1 . . . . A 30 ALA H . 30695 1 301 . 1 . 1 30 30 ALA HA H 1 4.553 0.015 . 1 . . . . A 30 ALA HA . 30695 1 302 . 1 . 1 30 30 ALA HB1 H 1 1.209 0.006 . 1 . . . . A 30 ALA HB1 . 30695 1 303 . 1 . 1 30 30 ALA HB2 H 1 1.209 0.006 . 1 . . . . A 30 ALA HB2 . 30695 1 304 . 1 . 1 30 30 ALA HB3 H 1 1.209 0.006 . 1 . . . . A 30 ALA HB3 . 30695 1 305 . 1 . 1 30 30 ALA CA C 13 50.331 0.000 . 1 . . . . A 30 ALA CA . 30695 1 306 . 1 . 1 30 30 ALA CB C 13 23.085 0.000 . 1 . . . . A 30 ALA CB . 30695 1 307 . 1 . 1 30 30 ALA N N 15 129.097 0.040 . 1 . . . . A 30 ALA N . 30695 1 308 . 1 . 1 31 31 TRP H H 1 7.926 0.001 . 1 . . . . A 31 TRP H . 30695 1 309 . 1 . 1 31 31 TRP HA H 1 4.802 0.001 . 1 . . . . A 31 TRP HA . 30695 1 310 . 1 . 1 31 31 TRP HB2 H 1 3.072 0.001 . 1 . . . . A 31 TRP HB2 . 30695 1 311 . 1 . 1 31 31 TRP HB3 H 1 3.409 0.002 . 1 . . . . A 31 TRP HB3 . 30695 1 312 . 1 . 1 31 31 TRP HD1 H 1 7.391 0.000 . 1 . . . . A 31 TRP HD1 . 30695 1 313 . 1 . 1 31 31 TRP HE1 H 1 10.183 0.001 . 1 . . . . A 31 TRP HE1 . 30695 1 314 . 1 . 1 31 31 TRP HE3 H 1 7.704 0.000 . 1 . . . . A 31 TRP HE3 . 30695 1 315 . 1 . 1 31 31 TRP HZ2 H 1 7.232 0.000 . 1 . . . . A 31 TRP HZ2 . 30695 1 316 . 1 . 1 31 31 TRP HZ3 H 1 7.059 0.000 . 1 . . . . A 31 TRP HZ3 . 30695 1 317 . 1 . 1 31 31 TRP HH2 H 1 7.191 0.000 . 1 . . . . A 31 TRP HH2 . 30695 1 318 . 1 . 1 31 31 TRP CA C 13 58.299 0.000 . 1 . . . . A 31 TRP CA . 30695 1 319 . 1 . 1 31 31 TRP CB C 13 29.652 0.006 . 1 . . . . A 31 TRP CB . 30695 1 320 . 1 . 1 31 31 TRP CD1 C 13 127.858 0.000 . 1 . . . . A 31 TRP CD1 . 30695 1 321 . 1 . 1 31 31 TRP CE3 C 13 121.474 0.000 . 1 . . . . A 31 TRP CE3 . 30695 1 322 . 1 . 1 31 31 TRP CZ2 C 13 114.582 0.000 . 1 . . . . A 31 TRP CZ2 . 30695 1 323 . 1 . 1 31 31 TRP CZ3 C 13 121.878 0.000 . 1 . . . . A 31 TRP CZ3 . 30695 1 324 . 1 . 1 31 31 TRP CH2 C 13 124.615 0.000 . 1 . . . . A 31 TRP CH2 . 30695 1 325 . 1 . 1 31 31 TRP N N 15 127.851 3.966 . 1 . . . . A 31 TRP N . 30695 1 326 . 1 . 1 31 31 TRP NE1 N 15 130.123 0.000 . 1 . . . . A 31 TRP NE1 . 30695 1 327 . 1 . 1 32 32 ASP H H 1 8.702 0.001 . 1 . . . . A 32 ASP H . 30695 1 328 . 1 . 1 32 32 ASP HA H 1 4.454 0.002 . 1 . . . . A 32 ASP HA . 30695 1 329 . 1 . 1 32 32 ASP HB2 H 1 2.700 0.010 . 1 . . . . A 32 ASP HB2 . 30695 1 330 . 1 . 1 32 32 ASP HB3 H 1 2.437 0.025 . 1 . . . . A 32 ASP HB3 . 30695 1 331 . 1 . 1 32 32 ASP CA C 13 54.503 0.000 . 1 . . . . A 32 ASP CA . 30695 1 332 . 1 . 1 32 32 ASP CB C 13 39.711 0.016 . 1 . . . . A 32 ASP CB . 30695 1 333 . 1 . 1 32 32 ASP N N 15 124.720 0.039 . 1 . . . . A 32 ASP N . 30695 1 334 . 1 . 1 33 33 GLY H H 1 7.786 0.000 . 1 . . . . A 33 GLY H . 30695 1 335 . 1 . 1 33 33 GLY HA2 H 1 4.005 0.000 . 2 . . . . A 33 GLY HA2 . 30695 1 336 . 1 . 1 33 33 GLY CA C 13 45.148 0.000 . 1 . . . . A 33 GLY CA . 30695 1 337 . 1 . 1 33 33 GLY N N 15 108.700 0.000 . 1 . . . . A 33 GLY N . 30695 1 338 . 1 . 1 34 34 THR H H 1 7.831 0.002 . 1 . . . . A 34 THR H . 30695 1 339 . 1 . 1 34 34 THR HA H 1 4.418 0.006 . 1 . . . . A 34 THR HA . 30695 1 340 . 1 . 1 34 34 THR HB H 1 4.451 0.001 . 1 . . . . A 34 THR HB . 30695 1 341 . 1 . 1 34 34 THR HG21 H 1 1.114 0.000 . 1 . . . . A 34 THR HG21 . 30695 1 342 . 1 . 1 34 34 THR HG22 H 1 1.114 0.000 . 1 . . . . A 34 THR HG22 . 30695 1 343 . 1 . 1 34 34 THR HG23 H 1 1.114 0.000 . 1 . . . . A 34 THR HG23 . 30695 1 344 . 1 . 1 34 34 THR CA C 13 61.687 0.000 . 1 . . . . A 34 THR CA . 30695 1 345 . 1 . 1 34 34 THR CB C 13 70.805 0.000 . 1 . . . . A 34 THR CB . 30695 1 346 . 1 . 1 34 34 THR CG2 C 13 21.586 0.000 . 1 . . . . A 34 THR CG2 . 30695 1 347 . 1 . 1 34 34 THR N N 15 109.813 0.015 . 1 . . . . A 34 THR N . 30695 1 348 . 1 . 1 35 35 PHE H H 1 7.459 0.003 . 1 . . . . A 35 PHE H . 30695 1 349 . 1 . 1 35 35 PHE HA H 1 4.302 0.006 . 1 . . . . A 35 PHE HA . 30695 1 350 . 1 . 1 35 35 PHE HB2 H 1 2.853 0.006 . 2 . . . . A 35 PHE HB2 . 30695 1 351 . 1 . 1 35 35 PHE HB3 H 1 2.856 0.000 . 2 . . . . A 35 PHE HB3 . 30695 1 352 . 1 . 1 35 35 PHE HD1 H 1 7.040 0.000 . 1 . . . . A 35 PHE HD1 . 30695 1 353 . 1 . 1 35 35 PHE HD2 H 1 7.040 0.000 . 1 . . . . A 35 PHE HD2 . 30695 1 354 . 1 . 1 35 35 PHE HE1 H 1 7.134 0.000 . 1 . . . . A 35 PHE HE1 . 30695 1 355 . 1 . 1 35 35 PHE HE2 H 1 7.134 0.000 . 1 . . . . A 35 PHE HE2 . 30695 1 356 . 1 . 1 35 35 PHE HZ H 1 7.011 0.000 . 1 . . . . A 35 PHE HZ . 30695 1 357 . 1 . 1 35 35 PHE CA C 13 58.104 0.000 . 1 . . . . A 35 PHE CA . 30695 1 358 . 1 . 1 35 35 PHE CB C 13 40.160 0.000 . 1 . . . . A 35 PHE CB . 30695 1 359 . 1 . 1 35 35 PHE CD1 C 13 132.395 0.000 . 1 . . . . A 35 PHE CD1 . 30695 1 360 . 1 . 1 35 35 PHE CE2 C 13 131.157 0.000 . 1 . . . . A 35 PHE CE2 . 30695 1 361 . 1 . 1 35 35 PHE CZ C 13 129.345 0.000 . 1 . . . . A 35 PHE CZ . 30695 1 362 . 1 . 1 35 35 PHE N N 15 124.287 0.008 . 1 . . . . A 35 PHE N . 30695 1 stop_ save_