################################### # 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11165 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 13C-separated NOESY' 1 $sample_1 isotropic 11165 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11165 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11165 1 2 $NMRPipe . . 11165 1 3 $NMRVIEW . . 11165 1 4 $Kujira . . 11165 1 5 $CYANA . . 11165 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 6 6 SER HA H 1 4.483 0.030 . 1 . . . . 6 SER HA . 11165 1 2 . 1 1 6 6 SER HB2 H 1 3.891 0.030 . 1 . . . . 6 SER HB2 . 11165 1 3 . 1 1 6 6 SER HB3 H 1 3.891 0.030 . 1 . . . . 6 SER HB3 . 11165 1 4 . 1 1 6 6 SER C C 13 175.067 0.300 . 1 . . . . 6 SER C . 11165 1 5 . 1 1 6 6 SER CA C 13 58.653 0.300 . 1 . . . . 6 SER CA . 11165 1 6 . 1 1 6 6 SER CB C 13 63.777 0.300 . 1 . . . . 6 SER CB . 11165 1 7 . 1 1 7 7 GLY H H 1 8.372 0.030 . 1 . . . . 7 GLY H . 11165 1 8 . 1 1 7 7 GLY HA2 H 1 3.963 0.030 . 2 . . . . 7 GLY HA2 . 11165 1 9 . 1 1 7 7 GLY HA3 H 1 4.034 0.030 . 2 . . . . 7 GLY HA3 . 11165 1 10 . 1 1 7 7 GLY C C 13 174.036 0.300 . 1 . . . . 7 GLY C . 11165 1 11 . 1 1 7 7 GLY CA C 13 45.401 0.300 . 1 . . . . 7 GLY CA . 11165 1 12 . 1 1 7 7 GLY N N 15 110.716 0.300 . 1 . . . . 7 GLY N . 11165 1 13 . 1 1 8 8 GLU H H 1 8.099 0.030 . 1 . . . . 8 GLU H . 11165 1 14 . 1 1 8 8 GLU HA H 1 4.244 0.030 . 1 . . . . 8 GLU HA . 11165 1 15 . 1 1 8 8 GLU HB2 H 1 1.997 0.030 . 2 . . . . 8 GLU HB2 . 11165 1 16 . 1 1 8 8 GLU HB3 H 1 1.885 0.030 . 2 . . . . 8 GLU HB3 . 11165 1 17 . 1 1 8 8 GLU HG2 H 1 2.247 0.030 . 2 . . . . 8 GLU HG2 . 11165 1 18 . 1 1 8 8 GLU HG3 H 1 2.196 0.030 . 2 . . . . 8 GLU HG3 . 11165 1 19 . 1 1 8 8 GLU C C 13 176.202 0.300 . 1 . . . . 8 GLU C . 11165 1 20 . 1 1 8 8 GLU CA C 13 56.514 0.300 . 1 . . . . 8 GLU CA . 11165 1 21 . 1 1 8 8 GLU CB C 13 30.451 0.300 . 1 . . . . 8 GLU CB . 11165 1 22 . 1 1 8 8 GLU CG C 13 36.246 0.300 . 1 . . . . 8 GLU CG . 11165 1 23 . 1 1 8 8 GLU N N 15 120.162 0.300 . 1 . . . . 8 GLU N . 11165 1 24 . 1 1 9 9 LYS H H 1 8.342 0.030 . 1 . . . . 9 LYS H . 11165 1 25 . 1 1 9 9 LYS HA H 1 4.249 0.030 . 1 . . . . 9 LYS HA . 11165 1 26 . 1 1 9 9 LYS HB2 H 1 1.664 0.030 . 1 . . . . 9 LYS HB2 . 11165 1 27 . 1 1 9 9 LYS HB3 H 1 1.664 0.030 . 1 . . . . 9 LYS HB3 . 11165 1 28 . 1 1 9 9 LYS HD2 H 1 1.594 0.030 . 1 . . . . 9 LYS HD2 . 11165 1 29 . 1 1 9 9 LYS HD3 H 1 1.594 0.030 . 1 . . . . 9 LYS HD3 . 11165 1 30 . 1 1 9 9 LYS HE2 H 1 2.932 0.030 . 1 . . . . 9 LYS HE2 . 11165 1 31 . 1 1 9 9 LYS HE3 H 1 2.932 0.030 . 1 . . . . 9 LYS HE3 . 11165 1 32 . 1 1 9 9 LYS HG2 H 1 1.284 0.030 . 1 . . . . 9 LYS HG2 . 11165 1 33 . 1 1 9 9 LYS HG3 H 1 1.284 0.030 . 1 . . . . 9 LYS HG3 . 11165 1 34 . 1 1 9 9 LYS C C 13 175.514 0.300 . 1 . . . . 9 LYS C . 11165 1 35 . 1 1 9 9 LYS CA C 13 55.987 0.300 . 1 . . . . 9 LYS CA . 11165 1 36 . 1 1 9 9 LYS CB C 13 32.805 0.300 . 1 . . . . 9 LYS CB . 11165 1 37 . 1 1 9 9 LYS CD C 13 29.061 0.300 . 1 . . . . 9 LYS CD . 11165 1 38 . 1 1 9 9 LYS CE C 13 42.179 0.300 . 1 . . . . 9 LYS CE . 11165 1 39 . 1 1 9 9 LYS CG C 13 24.567 0.300 . 1 . . . . 9 LYS CG . 11165 1 40 . 1 1 9 9 LYS N N 15 122.803 0.300 . 1 . . . . 9 LYS N . 11165 1 41 . 1 1 10 10 LEU H H 1 8.047 0.030 . 1 . . . . 10 LEU H . 11165 1 42 . 1 1 10 10 LEU HA H 1 4.332 0.030 . 1 . . . . 10 LEU HA . 11165 1 43 . 1 1 10 10 LEU HB2 H 1 1.472 0.030 . 2 . . . . 10 LEU HB2 . 11165 1 44 . 1 1 10 10 LEU HB3 H 1 1.283 0.030 . 2 . . . . 10 LEU HB3 . 11165 1 45 . 1 1 10 10 LEU HD11 H 1 0.728 0.030 . 1 . . . . 10 LEU HD1 . 11165 1 46 . 1 1 10 10 LEU HD12 H 1 0.728 0.030 . 1 . . . . 10 LEU HD1 . 11165 1 47 . 1 1 10 10 LEU HD13 H 1 0.728 0.030 . 1 . . . . 10 LEU HD1 . 11165 1 48 . 1 1 10 10 LEU HD21 H 1 0.801 0.030 . 1 . . . . 10 LEU HD2 . 11165 1 49 . 1 1 10 10 LEU HD22 H 1 0.801 0.030 . 1 . . . . 10 LEU HD2 . 11165 1 50 . 1 1 10 10 LEU HD23 H 1 0.801 0.030 . 1 . . . . 10 LEU HD2 . 11165 1 51 . 1 1 10 10 LEU HG H 1 1.456 0.030 . 1 . . . . 10 LEU HG . 11165 1 52 . 1 1 10 10 LEU C C 13 176.367 0.300 . 1 . . . . 10 LEU C . 11165 1 53 . 1 1 10 10 LEU CA C 13 54.427 0.300 . 1 . . . . 10 LEU CA . 11165 1 54 . 1 1 10 10 LEU CB C 13 43.333 0.300 . 1 . . . . 10 LEU CB . 11165 1 55 . 1 1 10 10 LEU CD1 C 13 23.253 0.300 . 2 . . . . 10 LEU CD1 . 11165 1 56 . 1 1 10 10 LEU CD2 C 13 25.034 0.300 . 2 . . . . 10 LEU CD2 . 11165 1 57 . 1 1 10 10 LEU CG C 13 26.917 0.300 . 1 . . . . 10 LEU CG . 11165 1 58 . 1 1 10 10 LEU N N 15 122.317 0.300 . 1 . . . . 10 LEU N . 11165 1 59 . 1 1 11 11 HIS H H 1 8.408 0.030 . 1 . . . . 11 HIS H . 11165 1 60 . 1 1 11 11 HIS HA H 1 4.617 0.030 . 1 . . . . 11 HIS HA . 11165 1 61 . 1 1 11 11 HIS HB2 H 1 3.117 0.030 . 2 . . . . 11 HIS HB2 . 11165 1 62 . 1 1 11 11 HIS HB3 H 1 2.973 0.030 . 2 . . . . 11 HIS HB3 . 11165 1 63 . 1 1 11 11 HIS HD2 H 1 6.807 0.030 . 1 . . . . 11 HIS HD2 . 11165 1 64 . 1 1 11 11 HIS HE1 H 1 7.741 0.030 . 1 . . . . 11 HIS HE1 . 11165 1 65 . 1 1 11 11 HIS C C 13 174.178 0.300 . 1 . . . . 11 HIS C . 11165 1 66 . 1 1 11 11 HIS CA C 13 55.510 0.300 . 1 . . . . 11 HIS CA . 11165 1 67 . 1 1 11 11 HIS CB C 13 31.223 0.300 . 1 . . . . 11 HIS CB . 11165 1 68 . 1 1 11 11 HIS CD2 C 13 119.955 0.300 . 1 . . . . 11 HIS CD2 . 11165 1 69 . 1 1 11 11 HIS CE1 C 13 138.215 0.300 . 1 . . . . 11 HIS CE1 . 11165 1 70 . 1 1 11 11 HIS N N 15 121.255 0.300 . 1 . . . . 11 HIS N . 11165 1 71 . 1 1 12 12 GLU H H 1 8.782 0.030 . 1 . . . . 12 GLU H . 11165 1 72 . 1 1 12 12 GLU HA H 1 4.862 0.030 . 1 . . . . 12 GLU HA . 11165 1 73 . 1 1 12 12 GLU HB2 H 1 1.927 0.030 . 2 . . . . 12 GLU HB2 . 11165 1 74 . 1 1 12 12 GLU HB3 H 1 1.744 0.030 . 2 . . . . 12 GLU HB3 . 11165 1 75 . 1 1 12 12 GLU HG2 H 1 1.864 0.030 . 1 . . . . 12 GLU HG2 . 11165 1 76 . 1 1 12 12 GLU HG3 H 1 1.864 0.030 . 1 . . . . 12 GLU HG3 . 11165 1 77 . 1 1 12 12 GLU C C 13 175.055 0.300 . 1 . . . . 12 GLU C . 11165 1 78 . 1 1 12 12 GLU CA C 13 54.867 0.300 . 1 . . . . 12 GLU CA . 11165 1 79 . 1 1 12 12 GLU CB C 13 33.563 0.300 . 1 . . . . 12 GLU CB . 11165 1 80 . 1 1 12 12 GLU CG C 13 36.494 0.300 . 1 . . . . 12 GLU CG . 11165 1 81 . 1 1 12 12 GLU N N 15 125.166 0.300 . 1 . . . . 12 GLU N . 11165 1 82 . 1 1 13 13 CYS H H 1 9.104 0.030 . 1 . . . . 13 CYS H . 11165 1 83 . 1 1 13 13 CYS HA H 1 4.595 0.030 . 1 . . . . 13 CYS HA . 11165 1 84 . 1 1 13 13 CYS HB2 H 1 3.366 0.030 . 2 . . . . 13 CYS HB2 . 11165 1 85 . 1 1 13 13 CYS HB3 H 1 2.848 0.030 . 2 . . . . 13 CYS HB3 . 11165 1 86 . 1 1 13 13 CYS C C 13 177.119 0.300 . 1 . . . . 13 CYS C . 11165 1 87 . 1 1 13 13 CYS CA C 13 59.489 0.300 . 1 . . . . 13 CYS CA . 11165 1 88 . 1 1 13 13 CYS CB C 13 29.549 0.300 . 1 . . . . 13 CYS CB . 11165 1 89 . 1 1 13 13 CYS N N 15 128.026 0.300 . 1 . . . . 13 CYS N . 11165 1 90 . 1 1 14 14 SER H H 1 9.294 0.030 . 1 . . . . 14 SER H . 11165 1 91 . 1 1 14 14 SER HA H 1 4.264 0.030 . 1 . . . . 14 SER HA . 11165 1 92 . 1 1 14 14 SER HB2 H 1 4.036 0.030 . 2 . . . . 14 SER HB2 . 11165 1 93 . 1 1 14 14 SER HB3 H 1 4.007 0.030 . 2 . . . . 14 SER HB3 . 11165 1 94 . 1 1 14 14 SER C C 13 174.534 0.300 . 1 . . . . 14 SER C . 11165 1 95 . 1 1 14 14 SER CA C 13 61.092 0.300 . 1 . . . . 14 SER CA . 11165 1 96 . 1 1 14 14 SER CB C 13 63.026 0.300 . 1 . . . . 14 SER CB . 11165 1 97 . 1 1 14 14 SER N N 15 127.752 0.300 . 1 . . . . 14 SER N . 11165 1 98 . 1 1 15 15 GLU H H 1 8.587 0.030 . 1 . . . . 15 GLU H . 11165 1 99 . 1 1 15 15 GLU HA H 1 4.258 0.030 . 1 . . . . 15 GLU HA . 11165 1 100 . 1 1 15 15 GLU HB2 H 1 1.361 0.030 . 2 . . . . 15 GLU HB2 . 11165 1 101 . 1 1 15 15 GLU HB3 H 1 1.317 0.030 . 2 . . . . 15 GLU HB3 . 11165 1 102 . 1 1 15 15 GLU HG2 H 1 1.879 0.030 . 2 . . . . 15 GLU HG2 . 11165 1 103 . 1 1 15 15 GLU HG3 H 1 1.791 0.030 . 2 . . . . 15 GLU HG3 . 11165 1 104 . 1 1 15 15 GLU C C 13 177.001 0.300 . 1 . . . . 15 GLU C . 11165 1 105 . 1 1 15 15 GLU CA C 13 58.083 0.300 . 1 . . . . 15 GLU CA . 11165 1 106 . 1 1 15 15 GLU CB C 13 29.676 0.300 . 1 . . . . 15 GLU CB . 11165 1 107 . 1 1 15 15 GLU CG C 13 35.610 0.300 . 1 . . . . 15 GLU CG . 11165 1 108 . 1 1 15 15 GLU N N 15 122.488 0.300 . 1 . . . . 15 GLU N . 11165 1 109 . 1 1 16 16 CYS H H 1 7.964 0.030 . 1 . . . . 16 CYS H . 11165 1 110 . 1 1 16 16 CYS HA H 1 5.111 0.030 . 1 . . . . 16 CYS HA . 11165 1 111 . 1 1 16 16 CYS HB2 H 1 2.876 0.030 . 2 . . . . 16 CYS HB2 . 11165 1 112 . 1 1 16 16 CYS HB3 H 1 3.426 0.030 . 2 . . . . 16 CYS HB3 . 11165 1 113 . 1 1 16 16 CYS C C 13 175.360 0.300 . 1 . . . . 16 CYS C . 11165 1 114 . 1 1 16 16 CYS CA C 13 58.509 0.300 . 1 . . . . 16 CYS CA . 11165 1 115 . 1 1 16 16 CYS CB C 13 31.851 0.300 . 1 . . . . 16 CYS CB . 11165 1 116 . 1 1 16 16 CYS N N 15 115.649 0.300 . 1 . . . . 16 CYS N . 11165 1 117 . 1 1 17 17 ARG H H 1 8.125 0.030 . 1 . . . . 17 ARG H . 11165 1 118 . 1 1 17 17 ARG HA H 1 4.167 0.030 . 1 . . . . 17 ARG HA . 11165 1 119 . 1 1 17 17 ARG HB2 H 1 2.179 0.030 . 2 . . . . 17 ARG HB2 . 11165 1 120 . 1 1 17 17 ARG HB3 H 1 2.066 0.030 . 2 . . . . 17 ARG HB3 . 11165 1 121 . 1 1 17 17 ARG HD2 H 1 3.166 0.030 . 2 . . . . 17 ARG HD2 . 11165 1 122 . 1 1 17 17 ARG HD3 H 1 3.085 0.030 . 2 . . . . 17 ARG HD3 . 11165 1 123 . 1 1 17 17 ARG HG2 H 1 1.599 0.030 . 2 . . . . 17 ARG HG2 . 11165 1 124 . 1 1 17 17 ARG HG3 H 1 1.426 0.030 . 2 . . . . 17 ARG HG3 . 11165 1 125 . 1 1 17 17 ARG C C 13 175.361 0.300 . 1 . . . . 17 ARG C . 11165 1 126 . 1 1 17 17 ARG CA C 13 57.893 0.300 . 1 . . . . 17 ARG CA . 11165 1 127 . 1 1 17 17 ARG CB C 13 26.258 0.300 . 1 . . . . 17 ARG CB . 11165 1 128 . 1 1 17 17 ARG CD C 13 42.539 0.300 . 1 . . . . 17 ARG CD . 11165 1 129 . 1 1 17 17 ARG CG C 13 27.146 0.300 . 1 . . . . 17 ARG CG . 11165 1 130 . 1 1 17 17 ARG N N 15 116.618 0.300 . 1 . . . . 17 ARG N . 11165 1 131 . 1 1 18 18 LYS H H 1 7.935 0.030 . 1 . . . . 18 LYS H . 11165 1 132 . 1 1 18 18 LYS HA H 1 4.134 0.030 . 1 . . . . 18 LYS HA . 11165 1 133 . 1 1 18 18 LYS HB2 H 1 1.417 0.030 . 2 . . . . 18 LYS HB2 . 11165 1 134 . 1 1 18 18 LYS HB3 H 1 1.257 0.030 . 2 . . . . 18 LYS HB3 . 11165 1 135 . 1 1 18 18 LYS HD2 H 1 1.549 0.030 . 2 . . . . 18 LYS HD2 . 11165 1 136 . 1 1 18 18 LYS HD3 H 1 1.499 0.030 . 2 . . . . 18 LYS HD3 . 11165 1 137 . 1 1 18 18 LYS HE2 H 1 3.016 0.030 . 2 . . . . 18 LYS HE2 . 11165 1 138 . 1 1 18 18 LYS HE3 H 1 2.945 0.030 . 2 . . . . 18 LYS HE3 . 11165 1 139 . 1 1 18 18 LYS HG2 H 1 1.176 0.030 . 2 . . . . 18 LYS HG2 . 11165 1 140 . 1 1 18 18 LYS HG3 H 1 1.527 0.030 . 2 . . . . 18 LYS HG3 . 11165 1 141 . 1 1 18 18 LYS C C 13 175.045 0.300 . 1 . . . . 18 LYS C . 11165 1 142 . 1 1 18 18 LYS CA C 13 58.123 0.300 . 1 . . . . 18 LYS CA . 11165 1 143 . 1 1 18 18 LYS CB C 13 33.795 0.300 . 1 . . . . 18 LYS CB . 11165 1 144 . 1 1 18 18 LYS CD C 13 29.264 0.300 . 1 . . . . 18 LYS CD . 11165 1 145 . 1 1 18 18 LYS CE C 13 42.238 0.300 . 1 . . . . 18 LYS CE . 11165 1 146 . 1 1 18 18 LYS CG C 13 26.515 0.300 . 1 . . . . 18 LYS CG . 11165 1 147 . 1 1 18 18 LYS N N 15 121.811 0.300 . 1 . . . . 18 LYS N . 11165 1 148 . 1 1 19 19 THR H H 1 7.578 0.030 . 1 . . . . 19 THR H . 11165 1 149 . 1 1 19 19 THR HA H 1 5.147 0.030 . 1 . . . . 19 THR HA . 11165 1 150 . 1 1 19 19 THR HB H 1 3.939 0.030 . 1 . . . . 19 THR HB . 11165 1 151 . 1 1 19 19 THR HG21 H 1 1.050 0.030 . 1 . . . . 19 THR HG2 . 11165 1 152 . 1 1 19 19 THR HG22 H 1 1.050 0.030 . 1 . . . . 19 THR HG2 . 11165 1 153 . 1 1 19 19 THR HG23 H 1 1.050 0.030 . 1 . . . . 19 THR HG2 . 11165 1 154 . 1 1 19 19 THR C C 13 173.549 0.300 . 1 . . . . 19 THR C . 11165 1 155 . 1 1 19 19 THR CA C 13 59.473 0.300 . 1 . . . . 19 THR CA . 11165 1 156 . 1 1 19 19 THR CB C 13 71.655 0.300 . 1 . . . . 19 THR CB . 11165 1 157 . 1 1 19 19 THR CG2 C 13 21.921 0.300 . 1 . . . . 19 THR CG2 . 11165 1 158 . 1 1 19 19 THR N N 15 110.653 0.300 . 1 . . . . 19 THR N . 11165 1 159 . 1 1 20 20 PHE H H 1 8.536 0.030 . 1 . . . . 20 PHE H . 11165 1 160 . 1 1 20 20 PHE HA H 1 4.750 0.030 . 1 . . . . 20 PHE HA . 11165 1 161 . 1 1 20 20 PHE HB2 H 1 2.538 0.030 . 2 . . . . 20 PHE HB2 . 11165 1 162 . 1 1 20 20 PHE HB3 H 1 3.537 0.030 . 2 . . . . 20 PHE HB3 . 11165 1 163 . 1 1 20 20 PHE HD1 H 1 7.154 0.030 . 1 . . . . 20 PHE HD1 . 11165 1 164 . 1 1 20 20 PHE HD2 H 1 7.154 0.030 . 1 . . . . 20 PHE HD2 . 11165 1 165 . 1 1 20 20 PHE HE1 H 1 6.817 0.030 . 1 . . . . 20 PHE HE1 . 11165 1 166 . 1 1 20 20 PHE HE2 H 1 6.817 0.030 . 1 . . . . 20 PHE HE2 . 11165 1 167 . 1 1 20 20 PHE HZ H 1 6.113 0.030 . 1 . . . . 20 PHE HZ . 11165 1 168 . 1 1 20 20 PHE C C 13 175.650 0.300 . 1 . . . . 20 PHE C . 11165 1 169 . 1 1 20 20 PHE CA C 13 56.978 0.300 . 1 . . . . 20 PHE CA . 11165 1 170 . 1 1 20 20 PHE CB C 13 43.712 0.300 . 1 . . . . 20 PHE CB . 11165 1 171 . 1 1 20 20 PHE CD1 C 13 132.416 0.300 . 1 . . . . 20 PHE CD1 . 11165 1 172 . 1 1 20 20 PHE CD2 C 13 132.416 0.300 . 1 . . . . 20 PHE CD2 . 11165 1 173 . 1 1 20 20 PHE CE1 C 13 130.524 0.300 . 1 . . . . 20 PHE CE1 . 11165 1 174 . 1 1 20 20 PHE CE2 C 13 130.524 0.300 . 1 . . . . 20 PHE CE2 . 11165 1 175 . 1 1 20 20 PHE CZ C 13 128.654 0.300 . 1 . . . . 20 PHE CZ . 11165 1 176 . 1 1 20 20 PHE N N 15 117.032 0.300 . 1 . . . . 20 PHE N . 11165 1 177 . 1 1 21 21 SER HA H 1 4.394 0.030 . 1 . . . . 21 SER HA . 11165 1 178 . 1 1 21 21 SER HB2 H 1 3.649 0.030 . 2 . . . . 21 SER HB2 . 11165 1 179 . 1 1 21 21 SER HB3 H 1 3.391 0.030 . 2 . . . . 21 SER HB3 . 11165 1 180 . 1 1 21 21 SER C C 13 173.513 0.300 . 1 . . . . 21 SER C . 11165 1 181 . 1 1 21 21 SER CA C 13 61.437 0.300 . 1 . . . . 21 SER CA . 11165 1 182 . 1 1 21 21 SER CB C 13 63.551 0.300 . 1 . . . . 21 SER CB . 11165 1 183 . 1 1 22 22 PHE H H 1 7.738 0.030 . 1 . . . . 22 PHE H . 11165 1 184 . 1 1 22 22 PHE HA H 1 4.958 0.030 . 1 . . . . 22 PHE HA . 11165 1 185 . 1 1 22 22 PHE HB2 H 1 2.542 0.030 . 2 . . . . 22 PHE HB2 . 11165 1 186 . 1 1 22 22 PHE HB3 H 1 3.446 0.030 . 2 . . . . 22 PHE HB3 . 11165 1 187 . 1 1 22 22 PHE HD1 H 1 7.306 0.030 . 1 . . . . 22 PHE HD1 . 11165 1 188 . 1 1 22 22 PHE HD2 H 1 7.306 0.030 . 1 . . . . 22 PHE HD2 . 11165 1 189 . 1 1 22 22 PHE HE1 H 1 7.417 0.030 . 1 . . . . 22 PHE HE1 . 11165 1 190 . 1 1 22 22 PHE HE2 H 1 7.417 0.030 . 1 . . . . 22 PHE HE2 . 11165 1 191 . 1 1 22 22 PHE HZ H 1 7.365 0.030 . 1 . . . . 22 PHE HZ . 11165 1 192 . 1 1 22 22 PHE C C 13 175.922 0.300 . 1 . . . . 22 PHE C . 11165 1 193 . 1 1 22 22 PHE CA C 13 55.928 0.300 . 1 . . . . 22 PHE CA . 11165 1 194 . 1 1 22 22 PHE CB C 13 42.243 0.300 . 1 . . . . 22 PHE CB . 11165 1 195 . 1 1 22 22 PHE CD1 C 13 132.207 0.300 . 1 . . . . 22 PHE CD1 . 11165 1 196 . 1 1 22 22 PHE CD2 C 13 132.207 0.300 . 1 . . . . 22 PHE CD2 . 11165 1 197 . 1 1 22 22 PHE CE1 C 13 131.314 0.300 . 1 . . . . 22 PHE CE1 . 11165 1 198 . 1 1 22 22 PHE CE2 C 13 131.314 0.300 . 1 . . . . 22 PHE CE2 . 11165 1 199 . 1 1 22 22 PHE CZ C 13 130.141 0.300 . 1 . . . . 22 PHE CZ . 11165 1 200 . 1 1 22 22 PHE N N 15 115.201 0.300 . 1 . . . . 22 PHE N . 11165 1 201 . 1 1 23 23 HIS HA H 1 3.423 0.030 . 1 . . . . 23 HIS HA . 11165 1 202 . 1 1 23 23 HIS HB2 H 1 2.913 0.030 . 2 . . . . 23 HIS HB2 . 11165 1 203 . 1 1 23 23 HIS HB3 H 1 2.761 0.030 . 2 . . . . 23 HIS HB3 . 11165 1 204 . 1 1 23 23 HIS HD2 H 1 7.003 0.030 . 1 . . . . 23 HIS HD2 . 11165 1 205 . 1 1 23 23 HIS HE1 H 1 7.864 0.030 . 1 . . . . 23 HIS HE1 . 11165 1 206 . 1 1 23 23 HIS CA C 13 60.979 0.300 . 1 . . . . 23 HIS CA . 11165 1 207 . 1 1 23 23 HIS CB C 13 30.313 0.300 . 1 . . . . 23 HIS CB . 11165 1 208 . 1 1 23 23 HIS CD2 C 13 119.164 0.300 . 1 . . . . 23 HIS CD2 . 11165 1 209 . 1 1 23 23 HIS CE1 C 13 138.621 0.300 . 1 . . . . 23 HIS CE1 . 11165 1 210 . 1 1 24 24 SER H H 1 8.760 0.030 . 1 . . . . 24 SER H . 11165 1 211 . 1 1 24 24 SER HA H 1 3.858 0.030 . 1 . . . . 24 SER HA . 11165 1 212 . 1 1 24 24 SER HB2 H 1 3.863 0.030 . 2 . . . . 24 SER HB2 . 11165 1 213 . 1 1 24 24 SER C C 13 176.822 0.300 . 1 . . . . 24 SER C . 11165 1 214 . 1 1 24 24 SER CA C 13 61.270 0.300 . 1 . . . . 24 SER CA . 11165 1 215 . 1 1 24 24 SER CB C 13 61.006 0.300 . 1 . . . . 24 SER CB . 11165 1 216 . 1 1 24 24 SER N N 15 111.865 0.300 . 1 . . . . 24 SER N . 11165 1 217 . 1 1 25 25 GLN H H 1 6.803 0.030 . 1 . . . . 25 GLN H . 11165 1 218 . 1 1 25 25 GLN HA H 1 3.926 0.030 . 1 . . . . 25 GLN HA . 11165 1 219 . 1 1 25 25 GLN HB2 H 1 2.557 0.030 . 2 . . . . 25 GLN HB2 . 11165 1 220 . 1 1 25 25 GLN HB3 H 1 2.069 0.030 . 2 . . . . 25 GLN HB3 . 11165 1 221 . 1 1 25 25 GLN HE21 H 1 7.653 0.030 . 2 . . . . 25 GLN HE21 . 11165 1 222 . 1 1 25 25 GLN HE22 H 1 7.166 0.030 . 2 . . . . 25 GLN HE22 . 11165 1 223 . 1 1 25 25 GLN HG2 H 1 2.527 0.030 . 2 . . . . 25 GLN HG2 . 11165 1 224 . 1 1 25 25 GLN HG3 H 1 2.457 0.030 . 2 . . . . 25 GLN HG3 . 11165 1 225 . 1 1 25 25 GLN C C 13 178.562 0.300 . 1 . . . . 25 GLN C . 11165 1 226 . 1 1 25 25 GLN CA C 13 57.676 0.300 . 1 . . . . 25 GLN CA . 11165 1 227 . 1 1 25 25 GLN CB C 13 28.962 0.300 . 1 . . . . 25 GLN CB . 11165 1 228 . 1 1 25 25 GLN CG C 13 34.466 0.300 . 1 . . . . 25 GLN CG . 11165 1 229 . 1 1 25 25 GLN N N 15 118.974 0.300 . 1 . . . . 25 GLN N . 11165 1 230 . 1 1 25 25 GLN NE2 N 15 111.860 0.300 . 1 . . . . 25 GLN NE2 . 11165 1 231 . 1 1 26 26 LEU H H 1 6.962 0.030 . 1 . . . . 26 LEU H . 11165 1 232 . 1 1 26 26 LEU HA H 1 3.153 0.030 . 1 . . . . 26 LEU HA . 11165 1 233 . 1 1 26 26 LEU HB2 H 1 1.120 0.030 . 2 . . . . 26 LEU HB2 . 11165 1 234 . 1 1 26 26 LEU HB3 H 1 1.983 0.030 . 2 . . . . 26 LEU HB3 . 11165 1 235 . 1 1 26 26 LEU HD11 H 1 0.983 0.030 . 1 . . . . 26 LEU HD1 . 11165 1 236 . 1 1 26 26 LEU HD12 H 1 0.983 0.030 . 1 . . . . 26 LEU HD1 . 11165 1 237 . 1 1 26 26 LEU HD13 H 1 0.983 0.030 . 1 . . . . 26 LEU HD1 . 11165 1 238 . 1 1 26 26 LEU HD21 H 1 0.991 0.030 . 1 . . . . 26 LEU HD2 . 11165 1 239 . 1 1 26 26 LEU HD22 H 1 0.991 0.030 . 1 . . . . 26 LEU HD2 . 11165 1 240 . 1 1 26 26 LEU HD23 H 1 0.991 0.030 . 1 . . . . 26 LEU HD2 . 11165 1 241 . 1 1 26 26 LEU HG H 1 1.411 0.030 . 1 . . . . 26 LEU HG . 11165 1 242 . 1 1 26 26 LEU C C 13 177.269 0.300 . 1 . . . . 26 LEU C . 11165 1 243 . 1 1 26 26 LEU CA C 13 57.661 0.300 . 1 . . . . 26 LEU CA . 11165 1 244 . 1 1 26 26 LEU CB C 13 40.247 0.300 . 1 . . . . 26 LEU CB . 11165 1 245 . 1 1 26 26 LEU CD1 C 13 22.995 0.300 . 2 . . . . 26 LEU CD1 . 11165 1 246 . 1 1 26 26 LEU CD2 C 13 26.566 0.300 . 2 . . . . 26 LEU CD2 . 11165 1 247 . 1 1 26 26 LEU CG C 13 27.392 0.300 . 1 . . . . 26 LEU CG . 11165 1 248 . 1 1 26 26 LEU N N 15 122.615 0.300 . 1 . . . . 26 LEU N . 11165 1 249 . 1 1 27 27 VAL H H 1 7.708 0.030 . 1 . . . . 27 VAL H . 11165 1 250 . 1 1 27 27 VAL HA H 1 3.553 0.030 . 1 . . . . 27 VAL HA . 11165 1 251 . 1 1 27 27 VAL HB H 1 1.841 0.030 . 1 . . . . 27 VAL HB . 11165 1 252 . 1 1 27 27 VAL HG11 H 1 0.647 0.030 . 1 . . . . 27 VAL HG1 . 11165 1 253 . 1 1 27 27 VAL HG12 H 1 0.647 0.030 . 1 . . . . 27 VAL HG1 . 11165 1 254 . 1 1 27 27 VAL HG13 H 1 0.647 0.030 . 1 . . . . 27 VAL HG1 . 11165 1 255 . 1 1 27 27 VAL HG21 H 1 0.803 0.030 . 1 . . . . 27 VAL HG2 . 11165 1 256 . 1 1 27 27 VAL HG22 H 1 0.803 0.030 . 1 . . . . 27 VAL HG2 . 11165 1 257 . 1 1 27 27 VAL HG23 H 1 0.803 0.030 . 1 . . . . 27 VAL HG2 . 11165 1 258 . 1 1 27 27 VAL C C 13 178.828 0.300 . 1 . . . . 27 VAL C . 11165 1 259 . 1 1 27 27 VAL CA C 13 66.304 0.300 . 1 . . . . 27 VAL CA . 11165 1 260 . 1 1 27 27 VAL CB C 13 31.653 0.300 . 1 . . . . 27 VAL CB . 11165 1 261 . 1 1 27 27 VAL CG1 C 13 22.323 0.300 . 2 . . . . 27 VAL CG1 . 11165 1 262 . 1 1 27 27 VAL CG2 C 13 20.991 0.300 . 2 . . . . 27 VAL CG2 . 11165 1 263 . 1 1 27 27 VAL N N 15 118.298 0.300 . 1 . . . . 27 VAL N . 11165 1 264 . 1 1 28 28 ILE H H 1 7.054 0.030 . 1 . . . . 28 ILE H . 11165 1 265 . 1 1 28 28 ILE HA H 1 3.564 0.030 . 1 . . . . 28 ILE HA . 11165 1 266 . 1 1 28 28 ILE HB H 1 1.652 0.030 . 1 . . . . 28 ILE HB . 11165 1 267 . 1 1 28 28 ILE HD11 H 1 0.797 0.030 . 1 . . . . 28 ILE HD1 . 11165 1 268 . 1 1 28 28 ILE HD12 H 1 0.797 0.030 . 1 . . . . 28 ILE HD1 . 11165 1 269 . 1 1 28 28 ILE HD13 H 1 0.797 0.030 . 1 . . . . 28 ILE HD1 . 11165 1 270 . 1 1 28 28 ILE HG12 H 1 1.612 0.030 . 2 . . . . 28 ILE HG12 . 11165 1 271 . 1 1 28 28 ILE HG13 H 1 1.126 0.030 . 2 . . . . 28 ILE HG13 . 11165 1 272 . 1 1 28 28 ILE HG21 H 1 0.871 0.030 . 1 . . . . 28 ILE HG2 . 11165 1 273 . 1 1 28 28 ILE HG22 H 1 0.871 0.030 . 1 . . . . 28 ILE HG2 . 11165 1 274 . 1 1 28 28 ILE HG23 H 1 0.871 0.030 . 1 . . . . 28 ILE HG2 . 11165 1 275 . 1 1 28 28 ILE C C 13 178.765 0.300 . 1 . . . . 28 ILE C . 11165 1 276 . 1 1 28 28 ILE CA C 13 64.611 0.300 . 1 . . . . 28 ILE CA . 11165 1 277 . 1 1 28 28 ILE CB C 13 38.348 0.300 . 1 . . . . 28 ILE CB . 11165 1 278 . 1 1 28 28 ILE CD1 C 13 12.721 0.300 . 1 . . . . 28 ILE CD1 . 11165 1 279 . 1 1 28 28 ILE CG1 C 13 29.223 0.300 . 1 . . . . 28 ILE CG1 . 11165 1 280 . 1 1 28 28 ILE CG2 C 13 17.213 0.300 . 1 . . . . 28 ILE CG2 . 11165 1 281 . 1 1 28 28 ILE N N 15 118.583 0.300 . 1 . . . . 28 ILE N . 11165 1 282 . 1 1 29 29 HIS H H 1 7.606 0.030 . 1 . . . . 29 HIS H . 11165 1 283 . 1 1 29 29 HIS HA H 1 4.138 0.030 . 1 . . . . 29 HIS HA . 11165 1 284 . 1 1 29 29 HIS HB2 H 1 2.796 0.030 . 2 . . . . 29 HIS HB2 . 11165 1 285 . 1 1 29 29 HIS HB3 H 1 3.071 0.030 . 2 . . . . 29 HIS HB3 . 11165 1 286 . 1 1 29 29 HIS HD2 H 1 6.908 0.030 . 1 . . . . 29 HIS HD2 . 11165 1 287 . 1 1 29 29 HIS HE1 H 1 8.042 0.030 . 1 . . . . 29 HIS HE1 . 11165 1 288 . 1 1 29 29 HIS C C 13 176.241 0.300 . 1 . . . . 29 HIS C . 11165 1 289 . 1 1 29 29 HIS CA C 13 59.333 0.300 . 1 . . . . 29 HIS CA . 11165 1 290 . 1 1 29 29 HIS CB C 13 28.434 0.300 . 1 . . . . 29 HIS CB . 11165 1 291 . 1 1 29 29 HIS CD2 C 13 127.101 0.300 . 1 . . . . 29 HIS CD2 . 11165 1 292 . 1 1 29 29 HIS CE1 C 13 139.576 0.300 . 1 . . . . 29 HIS CE1 . 11165 1 293 . 1 1 29 29 HIS N N 15 120.152 0.300 . 1 . . . . 29 HIS N . 11165 1 294 . 1 1 30 30 GLN H H 1 8.456 0.030 . 1 . . . . 30 GLN H . 11165 1 295 . 1 1 30 30 GLN HA H 1 3.656 0.030 . 1 . . . . 30 GLN HA . 11165 1 296 . 1 1 30 30 GLN HB2 H 1 2.318 0.030 . 2 . . . . 30 GLN HB2 . 11165 1 297 . 1 1 30 30 GLN HB3 H 1 2.190 0.030 . 2 . . . . 30 GLN HB3 . 11165 1 298 . 1 1 30 30 GLN HE21 H 1 7.620 0.030 . 2 . . . . 30 GLN HE21 . 11165 1 299 . 1 1 30 30 GLN HE22 H 1 6.942 0.030 . 2 . . . . 30 GLN HE22 . 11165 1 300 . 1 1 30 30 GLN HG2 H 1 2.849 0.030 . 2 . . . . 30 GLN HG2 . 11165 1 301 . 1 1 30 30 GLN HG3 H 1 2.786 0.030 . 2 . . . . 30 GLN HG3 . 11165 1 302 . 1 1 30 30 GLN C C 13 177.375 0.300 . 1 . . . . 30 GLN C . 11165 1 303 . 1 1 30 30 GLN CA C 13 59.437 0.300 . 1 . . . . 30 GLN CA . 11165 1 304 . 1 1 30 30 GLN CB C 13 28.265 0.300 . 1 . . . . 30 GLN CB . 11165 1 305 . 1 1 30 30 GLN CG C 13 35.622 0.300 . 1 . . . . 30 GLN CG . 11165 1 306 . 1 1 30 30 GLN N N 15 114.999 0.300 . 1 . . . . 30 GLN N . 11165 1 307 . 1 1 30 30 GLN NE2 N 15 111.645 0.300 . 1 . . . . 30 GLN NE2 . 11165 1 308 . 1 1 31 31 ARG H H 1 7.181 0.030 . 1 . . . . 31 ARG H . 11165 1 309 . 1 1 31 31 ARG HA H 1 4.148 0.030 . 1 . . . . 31 ARG HA . 11165 1 310 . 1 1 31 31 ARG HB2 H 1 1.888 0.030 . 2 . . . . 31 ARG HB2 . 11165 1 311 . 1 1 31 31 ARG HB3 H 1 1.777 0.030 . 2 . . . . 31 ARG HB3 . 11165 1 312 . 1 1 31 31 ARG HD2 H 1 3.179 0.030 . 1 . . . . 31 ARG HD2 . 11165 1 313 . 1 1 31 31 ARG HD3 H 1 3.179 0.030 . 1 . . . . 31 ARG HD3 . 11165 1 314 . 1 1 31 31 ARG HG2 H 1 1.657 0.030 . 2 . . . . 31 ARG HG2 . 11165 1 315 . 1 1 31 31 ARG HG3 H 1 1.889 0.030 . 2 . . . . 31 ARG HG3 . 11165 1 316 . 1 1 31 31 ARG C C 13 178.696 0.300 . 1 . . . . 31 ARG C . 11165 1 317 . 1 1 31 31 ARG CA C 13 58.557 0.300 . 1 . . . . 31 ARG CA . 11165 1 318 . 1 1 31 31 ARG CB C 13 30.026 0.300 . 1 . . . . 31 ARG CB . 11165 1 319 . 1 1 31 31 ARG CD C 13 43.794 0.300 . 1 . . . . 31 ARG CD . 11165 1 320 . 1 1 31 31 ARG CG C 13 27.712 0.300 . 1 . . . . 31 ARG CG . 11165 1 321 . 1 1 31 31 ARG N N 15 117.783 0.300 . 1 . . . . 31 ARG N . 11165 1 322 . 1 1 32 32 ILE H H 1 7.890 0.030 . 1 . . . . 32 ILE H . 11165 1 323 . 1 1 32 32 ILE HA H 1 3.965 0.030 . 1 . . . . 32 ILE HA . 11165 1 324 . 1 1 32 32 ILE HB H 1 1.650 0.030 . 1 . . . . 32 ILE HB . 11165 1 325 . 1 1 32 32 ILE HD11 H 1 0.701 0.030 . 1 . . . . 32 ILE HD1 . 11165 1 326 . 1 1 32 32 ILE HD12 H 1 0.701 0.030 . 1 . . . . 32 ILE HD1 . 11165 1 327 . 1 1 32 32 ILE HD13 H 1 0.701 0.030 . 1 . . . . 32 ILE HD1 . 11165 1 328 . 1 1 32 32 ILE HG12 H 1 0.906 0.030 . 2 . . . . 32 ILE HG12 . 11165 1 329 . 1 1 32 32 ILE HG13 H 1 0.741 0.030 . 2 . . . . 32 ILE HG13 . 11165 1 330 . 1 1 32 32 ILE HG21 H 1 0.569 0.030 . 1 . . . . 32 ILE HG2 . 11165 1 331 . 1 1 32 32 ILE HG22 H 1 0.569 0.030 . 1 . . . . 32 ILE HG2 . 11165 1 332 . 1 1 32 32 ILE HG23 H 1 0.569 0.030 . 1 . . . . 32 ILE HG2 . 11165 1 333 . 1 1 32 32 ILE C C 13 177.395 0.300 . 1 . . . . 32 ILE C . 11165 1 334 . 1 1 32 32 ILE CA C 13 63.180 0.300 . 1 . . . . 32 ILE CA . 11165 1 335 . 1 1 32 32 ILE CB C 13 37.767 0.300 . 1 . . . . 32 ILE CB . 11165 1 336 . 1 1 32 32 ILE CD1 C 13 14.530 0.300 . 1 . . . . 32 ILE CD1 . 11165 1 337 . 1 1 32 32 ILE CG1 C 13 26.635 0.300 . 1 . . . . 32 ILE CG1 . 11165 1 338 . 1 1 32 32 ILE CG2 C 13 16.426 0.300 . 1 . . . . 32 ILE CG2 . 11165 1 339 . 1 1 32 32 ILE N N 15 116.246 0.300 . 1 . . . . 32 ILE N . 11165 1 340 . 1 1 33 33 HIS H H 1 7.204 0.030 . 1 . . . . 33 HIS H . 11165 1 341 . 1 1 33 33 HIS HA H 1 4.860 0.030 . 1 . . . . 33 HIS HA . 11165 1 342 . 1 1 33 33 HIS HB2 H 1 3.376 0.030 . 2 . . . . 33 HIS HB2 . 11165 1 343 . 1 1 33 33 HIS HB3 H 1 3.239 0.030 . 2 . . . . 33 HIS HB3 . 11165 1 344 . 1 1 33 33 HIS HD2 H 1 6.753 0.030 . 1 . . . . 33 HIS HD2 . 11165 1 345 . 1 1 33 33 HIS HE1 H 1 8.066 0.030 . 1 . . . . 33 HIS HE1 . 11165 1 346 . 1 1 33 33 HIS C C 13 175.789 0.300 . 1 . . . . 33 HIS C . 11165 1 347 . 1 1 33 33 HIS CA C 13 55.190 0.300 . 1 . . . . 33 HIS CA . 11165 1 348 . 1 1 33 33 HIS CB C 13 28.526 0.300 . 1 . . . . 33 HIS CB . 11165 1 349 . 1 1 33 33 HIS CD2 C 13 127.576 0.300 . 1 . . . . 33 HIS CD2 . 11165 1 350 . 1 1 33 33 HIS CE1 C 13 140.123 0.300 . 1 . . . . 33 HIS CE1 . 11165 1 351 . 1 1 33 33 HIS N N 15 117.555 0.300 . 1 . . . . 33 HIS N . 11165 1 352 . 1 1 34 34 THR H H 1 7.756 0.030 . 1 . . . . 34 THR H . 11165 1 353 . 1 1 34 34 THR HA H 1 4.371 0.030 . 1 . . . . 34 THR HA . 11165 1 354 . 1 1 34 34 THR HB H 1 4.335 0.030 . 1 . . . . 34 THR HB . 11165 1 355 . 1 1 34 34 THR HG21 H 1 1.244 0.030 . 1 . . . . 34 THR HG2 . 11165 1 356 . 1 1 34 34 THR HG22 H 1 1.244 0.030 . 1 . . . . 34 THR HG2 . 11165 1 357 . 1 1 34 34 THR HG23 H 1 1.244 0.030 . 1 . . . . 34 THR HG2 . 11165 1 358 . 1 1 34 34 THR C C 13 175.473 0.300 . 1 . . . . 34 THR C . 11165 1 359 . 1 1 34 34 THR CA C 13 62.380 0.300 . 1 . . . . 34 THR CA . 11165 1 360 . 1 1 34 34 THR CB C 13 69.896 0.300 . 1 . . . . 34 THR CB . 11165 1 361 . 1 1 34 34 THR CG2 C 13 21.590 0.300 . 1 . . . . 34 THR CG2 . 11165 1 362 . 1 1 34 34 THR N N 15 111.328 0.300 . 1 . . . . 34 THR N . 11165 1 363 . 1 1 35 35 GLY H H 1 8.197 0.030 . 1 . . . . 35 GLY H . 11165 1 364 . 1 1 35 35 GLY HA2 H 1 4.034 0.030 . 2 . . . . 35 GLY HA2 . 11165 1 365 . 1 1 35 35 GLY HA3 H 1 3.957 0.030 . 2 . . . . 35 GLY HA3 . 11165 1 366 . 1 1 35 35 GLY C C 13 174.015 0.300 . 1 . . . . 35 GLY C . 11165 1 367 . 1 1 35 35 GLY CA C 13 45.320 0.300 . 1 . . . . 35 GLY CA . 11165 1 368 . 1 1 35 35 GLY N N 15 110.572 0.300 . 1 . . . . 35 GLY N . 11165 1 369 . 1 1 36 36 GLU H H 1 8.245 0.030 . 1 . . . . 36 GLU H . 11165 1 370 . 1 1 36 36 GLU HA H 1 4.240 0.030 . 1 . . . . 36 GLU HA . 11165 1 371 . 1 1 36 36 GLU HB2 H 1 1.994 0.030 . 2 . . . . 36 GLU HB2 . 11165 1 372 . 1 1 36 36 GLU HB3 H 1 1.888 0.030 . 2 . . . . 36 GLU HB3 . 11165 1 373 . 1 1 36 36 GLU HG2 H 1 2.198 0.030 . 2 . . . . 36 GLU HG2 . 11165 1 374 . 1 1 36 36 GLU HG3 H 1 2.247 0.030 . 2 . . . . 36 GLU HG3 . 11165 1 375 . 1 1 36 36 GLU C C 13 175.947 0.300 . 1 . . . . 36 GLU C . 11165 1 376 . 1 1 36 36 GLU CA C 13 56.498 0.300 . 1 . . . . 36 GLU CA . 11165 1 377 . 1 1 36 36 GLU CB C 13 30.519 0.300 . 1 . . . . 36 GLU CB . 11165 1 378 . 1 1 36 36 GLU CG C 13 36.246 0.300 . 1 . . . . 36 GLU CG . 11165 1 379 . 1 1 36 36 GLU N N 15 120.782 0.300 . 1 . . . . 36 GLU N . 11165 1 380 . 1 1 37 37 ASN H H 1 8.535 0.030 . 1 . . . . 37 ASN H . 11165 1 381 . 1 1 37 37 ASN HA H 1 4.965 0.030 . 1 . . . . 37 ASN HA . 11165 1 382 . 1 1 37 37 ASN HB2 H 1 2.666 0.030 . 2 . . . . 37 ASN HB2 . 11165 1 383 . 1 1 37 37 ASN HB3 H 1 2.816 0.030 . 2 . . . . 37 ASN HB3 . 11165 1 384 . 1 1 37 37 ASN HD21 H 1 7.611 0.030 . 2 . . . . 37 ASN HD21 . 11165 1 385 . 1 1 37 37 ASN HD22 H 1 6.932 0.030 . 2 . . . . 37 ASN HD22 . 11165 1 386 . 1 1 37 37 ASN C C 13 173.381 0.300 . 1 . . . . 37 ASN C . 11165 1 387 . 1 1 37 37 ASN CA C 13 51.374 0.300 . 1 . . . . 37 ASN CA . 11165 1 388 . 1 1 37 37 ASN CB C 13 38.940 0.300 . 1 . . . . 37 ASN CB . 11165 1 389 . 1 1 37 37 ASN N N 15 120.505 0.300 . 1 . . . . 37 ASN N . 11165 1 390 . 1 1 37 37 ASN ND2 N 15 113.248 0.300 . 1 . . . . 37 ASN ND2 . 11165 1 391 . 1 1 38 38 PRO HA H 1 4.452 0.030 . 1 . . . . 38 PRO HA . 11165 1 392 . 1 1 38 38 PRO HB2 H 1 2.291 0.030 . 2 . . . . 38 PRO HB2 . 11165 1 393 . 1 1 38 38 PRO HB3 H 1 1.987 0.030 . 2 . . . . 38 PRO HB3 . 11165 1 394 . 1 1 38 38 PRO HD2 H 1 3.752 0.030 . 1 . . . . 38 PRO HD2 . 11165 1 395 . 1 1 38 38 PRO HD3 H 1 3.752 0.030 . 1 . . . . 38 PRO HD3 . 11165 1 396 . 1 1 38 38 PRO HG2 H 1 2.008 0.030 . 1 . . . . 38 PRO HG2 . 11165 1 397 . 1 1 38 38 PRO HG3 H 1 2.008 0.030 . 1 . . . . 38 PRO HG3 . 11165 1 398 . 1 1 38 38 PRO CA C 13 63.639 0.300 . 1 . . . . 38 PRO CA . 11165 1 399 . 1 1 38 38 PRO CB C 13 32.166 0.300 . 1 . . . . 38 PRO CB . 11165 1 400 . 1 1 38 38 PRO CD C 13 50.745 0.300 . 1 . . . . 38 PRO CD . 11165 1 401 . 1 1 38 38 PRO CG C 13 27.222 0.300 . 1 . . . . 38 PRO CG . 11165 1 402 . 1 1 39 39 SER H H 1 8.378 0.030 . 1 . . . . 39 SER H . 11165 1 403 . 1 1 39 39 SER HA H 1 4.787 0.030 . 1 . . . . 39 SER HA . 11165 1 404 . 1 1 39 39 SER HB2 H 1 3.886 0.030 . 2 . . . . 39 SER HB2 . 11165 1 405 . 1 1 39 39 SER HB3 H 1 3.923 0.030 . 2 . . . . 39 SER HB3 . 11165 1 406 . 1 1 39 39 SER CA C 13 58.509 0.300 . 1 . . . . 39 SER CA . 11165 1 407 . 1 1 39 39 SER CB C 13 63.884 0.300 . 1 . . . . 39 SER CB . 11165 1 408 . 1 1 39 39 SER N N 15 115.637 0.300 . 1 . . . . 39 SER N . 11165 1 409 . 1 1 40 40 GLY H H 1 8.124 0.030 . 1 . . . . 40 GLY H . 11165 1 410 . 1 1 40 40 GLY HA2 H 1 4.151 0.030 . 2 . . . . 40 GLY HA2 . 11165 1 411 . 1 1 40 40 GLY HA3 H 1 4.100 0.030 . 2 . . . . 40 GLY HA3 . 11165 1 412 . 1 1 40 40 GLY CA C 13 44.720 0.300 . 1 . . . . 40 GLY CA . 11165 1 413 . 1 1 40 40 GLY N N 15 110.470 0.300 . 1 . . . . 40 GLY N . 11165 1 414 . 1 1 41 41 PRO HA H 1 4.483 0.030 . 1 . . . . 41 PRO HA . 11165 1 415 . 1 1 41 41 PRO HB2 H 1 2.296 0.030 . 1 . . . . 41 PRO HB2 . 11165 1 416 . 1 1 41 41 PRO HB3 H 1 2.296 0.030 . 1 . . . . 41 PRO HB3 . 11165 1 417 . 1 1 41 41 PRO HD2 H 1 3.629 0.030 . 1 . . . . 41 PRO HD2 . 11165 1 418 . 1 1 41 41 PRO HD3 H 1 3.629 0.030 . 1 . . . . 41 PRO HD3 . 11165 1 419 . 1 1 41 41 PRO HG2 H 1 2.017 0.030 . 1 . . . . 41 PRO HG2 . 11165 1 420 . 1 1 41 41 PRO HG3 H 1 2.017 0.030 . 1 . . . . 41 PRO HG3 . 11165 1 421 . 1 1 41 41 PRO CA C 13 63.245 0.300 . 1 . . . . 41 PRO CA . 11165 1 422 . 1 1 41 41 PRO CB C 13 32.173 0.300 . 1 . . . . 41 PRO CB . 11165 1 423 . 1 1 41 41 PRO CD C 13 49.761 0.300 . 1 . . . . 41 PRO CD . 11165 1 424 . 1 1 41 41 PRO CG C 13 27.158 0.300 . 1 . . . . 41 PRO CG . 11165 1 425 . 1 1 42 42 SER H H 1 8.537 0.030 . 1 . . . . 42 SER H . 11165 1 426 . 1 1 42 42 SER N N 15 116.521 0.300 . 1 . . . . 42 SER N . 11165 1 stop_ save_