################################### # 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 10226 _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 10226 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10226 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 4.472 0.030 . 1 . . . . 6 SER HA . 10226 1 2 . 1 1 6 6 SER HB2 H 1 3.871 0.030 . 1 . . . . 6 SER HB2 . 10226 1 3 . 1 1 6 6 SER HB3 H 1 3.871 0.030 . 1 . . . . 6 SER HB3 . 10226 1 4 . 1 1 6 6 SER C C 13 175.020 0.300 . 1 . . . . 6 SER C . 10226 1 5 . 1 1 6 6 SER CA C 13 58.304 0.300 . 1 . . . . 6 SER CA . 10226 1 6 . 1 1 6 6 SER CB C 13 63.873 0.300 . 1 . . . . 6 SER CB . 10226 1 7 . 1 1 7 7 GLY H H 1 8.386 0.030 . 1 . . . . 7 GLY H . 10226 1 8 . 1 1 7 7 GLY HA2 H 1 3.924 0.030 . 1 . . . . 7 GLY HA2 . 10226 1 9 . 1 1 7 7 GLY HA3 H 1 3.924 0.030 . 1 . . . . 7 GLY HA3 . 10226 1 10 . 1 1 7 7 GLY C C 13 174.161 0.300 . 1 . . . . 7 GLY C . 10226 1 11 . 1 1 7 7 GLY CA C 13 45.367 0.300 . 1 . . . . 7 GLY CA . 10226 1 12 . 1 1 7 7 GLY N N 15 110.381 0.300 . 1 . . . . 7 GLY N . 10226 1 13 . 1 1 8 8 GLU H H 1 8.187 0.030 . 1 . . . . 8 GLU H . 10226 1 14 . 1 1 8 8 GLU HA H 1 4.177 0.030 . 1 . . . . 8 GLU HA . 10226 1 15 . 1 1 8 8 GLU HB2 H 1 1.981 0.030 . 2 . . . . 8 GLU HB2 . 10226 1 16 . 1 1 8 8 GLU HB3 H 1 1.903 0.030 . 2 . . . . 8 GLU HB3 . 10226 1 17 . 1 1 8 8 GLU HG2 H 1 2.241 0.030 . 1 . . . . 8 GLU HG2 . 10226 1 18 . 1 1 8 8 GLU HG3 H 1 2.241 0.030 . 1 . . . . 8 GLU HG3 . 10226 1 19 . 1 1 8 8 GLU C C 13 176.520 0.300 . 1 . . . . 8 GLU C . 10226 1 20 . 1 1 8 8 GLU CA C 13 56.976 0.300 . 1 . . . . 8 GLU CA . 10226 1 21 . 1 1 8 8 GLU CB C 13 30.382 0.300 . 1 . . . . 8 GLU CB . 10226 1 22 . 1 1 8 8 GLU CG C 13 36.280 0.300 . 1 . . . . 8 GLU CG . 10226 1 23 . 1 1 8 8 GLU N N 15 119.901 0.300 . 1 . . . . 8 GLU N . 10226 1 24 . 1 1 9 9 LYS H H 1 8.200 0.030 . 1 . . . . 9 LYS H . 10226 1 25 . 1 1 9 9 LYS HA H 1 4.416 0.030 . 1 . . . . 9 LYS HA . 10226 1 26 . 1 1 9 9 LYS HB2 H 1 1.525 0.030 . 2 . . . . 9 LYS HB2 . 10226 1 27 . 1 1 9 9 LYS HB3 H 1 1.323 0.030 . 2 . . . . 9 LYS HB3 . 10226 1 28 . 1 1 9 9 LYS HD2 H 1 1.450 0.030 . 2 . . . . 9 LYS HD2 . 10226 1 29 . 1 1 9 9 LYS HD3 H 1 1.538 0.030 . 2 . . . . 9 LYS HD3 . 10226 1 30 . 1 1 9 9 LYS HE2 H 1 2.907 0.030 . 1 . . . . 9 LYS HE2 . 10226 1 31 . 1 1 9 9 LYS HE3 H 1 2.907 0.030 . 1 . . . . 9 LYS HE3 . 10226 1 32 . 1 1 9 9 LYS HG2 H 1 1.275 0.030 . 2 . . . . 9 LYS HG2 . 10226 1 33 . 1 1 9 9 LYS HG3 H 1 1.118 0.030 . 2 . . . . 9 LYS HG3 . 10226 1 34 . 1 1 9 9 LYS C C 13 173.641 0.300 . 1 . . . . 9 LYS C . 10226 1 35 . 1 1 9 9 LYS CA C 13 53.656 0.300 . 1 . . . . 9 LYS CA . 10226 1 36 . 1 1 9 9 LYS CB C 13 32.917 0.300 . 1 . . . . 9 LYS CB . 10226 1 37 . 1 1 9 9 LYS CD C 13 29.335 0.300 . 1 . . . . 9 LYS CD . 10226 1 38 . 1 1 9 9 LYS CE C 13 42.251 0.300 . 1 . . . . 9 LYS CE . 10226 1 39 . 1 1 9 9 LYS CG C 13 24.878 0.300 . 1 . . . . 9 LYS CG . 10226 1 40 . 1 1 9 9 LYS N N 15 120.895 0.300 . 1 . . . . 9 LYS N . 10226 1 41 . 1 1 10 10 PRO HA H 1 4.273 0.030 . 1 . . . . 10 PRO HA . 10226 1 42 . 1 1 10 10 PRO HB2 H 1 1.187 0.030 . 2 . . . . 10 PRO HB2 . 10226 1 43 . 1 1 10 10 PRO HB3 H 1 1.979 0.030 . 2 . . . . 10 PRO HB3 . 10226 1 44 . 1 1 10 10 PRO HD2 H 1 3.571 0.030 . 1 . . . . 10 PRO HD2 . 10226 1 45 . 1 1 10 10 PRO HD3 H 1 3.571 0.030 . 1 . . . . 10 PRO HD3 . 10226 1 46 . 1 1 10 10 PRO HG2 H 1 1.770 0.030 . 2 . . . . 10 PRO HG2 . 10226 1 47 . 1 1 10 10 PRO HG3 H 1 1.576 0.030 . 2 . . . . 10 PRO HG3 . 10226 1 48 . 1 1 10 10 PRO C C 13 176.563 0.300 . 1 . . . . 10 PRO C . 10226 1 49 . 1 1 10 10 PRO CA C 13 63.422 0.300 . 1 . . . . 10 PRO CA . 10226 1 50 . 1 1 10 10 PRO CB C 13 32.176 0.300 . 1 . . . . 10 PRO CB . 10226 1 51 . 1 1 10 10 PRO CD C 13 50.313 0.300 . 1 . . . . 10 PRO CD . 10226 1 52 . 1 1 10 10 PRO CG C 13 26.672 0.300 . 1 . . . . 10 PRO CG . 10226 1 53 . 1 1 11 11 PHE H H 1 8.042 0.030 . 1 . . . . 11 PHE H . 10226 1 54 . 1 1 11 11 PHE HA H 1 4.730 0.030 . 1 . . . . 11 PHE HA . 10226 1 55 . 1 1 11 11 PHE HB2 H 1 3.020 0.030 . 2 . . . . 11 PHE HB2 . 10226 1 56 . 1 1 11 11 PHE HB3 H 1 2.936 0.030 . 2 . . . . 11 PHE HB3 . 10226 1 57 . 1 1 11 11 PHE HD1 H 1 7.162 0.030 . 1 . . . . 11 PHE HD1 . 10226 1 58 . 1 1 11 11 PHE HD2 H 1 7.162 0.030 . 1 . . . . 11 PHE HD2 . 10226 1 59 . 1 1 11 11 PHE HE1 H 1 7.399 0.030 . 1 . . . . 11 PHE HE1 . 10226 1 60 . 1 1 11 11 PHE HE2 H 1 7.399 0.030 . 1 . . . . 11 PHE HE2 . 10226 1 61 . 1 1 11 11 PHE HZ H 1 7.389 0.030 . 1 . . . . 11 PHE HZ . 10226 1 62 . 1 1 11 11 PHE C C 13 175.426 0.300 . 1 . . . . 11 PHE C . 10226 1 63 . 1 1 11 11 PHE CA C 13 56.997 0.300 . 1 . . . . 11 PHE CA . 10226 1 64 . 1 1 11 11 PHE CB C 13 38.416 0.300 . 1 . . . . 11 PHE CB . 10226 1 65 . 1 1 11 11 PHE CD1 C 13 131.689 0.300 . 1 . . . . 11 PHE CD1 . 10226 1 66 . 1 1 11 11 PHE CD2 C 13 131.689 0.300 . 1 . . . . 11 PHE CD2 . 10226 1 67 . 1 1 11 11 PHE CE1 C 13 131.678 0.300 . 1 . . . . 11 PHE CE1 . 10226 1 68 . 1 1 11 11 PHE CE2 C 13 131.678 0.300 . 1 . . . . 11 PHE CE2 . 10226 1 69 . 1 1 11 11 PHE CZ C 13 130.213 0.300 . 1 . . . . 11 PHE CZ . 10226 1 70 . 1 1 11 11 PHE N N 15 117.903 0.300 . 1 . . . . 11 PHE N . 10226 1 71 . 1 1 12 12 GLY H H 1 8.457 0.030 . 1 . . . . 12 GLY H . 10226 1 72 . 1 1 12 12 GLY HA2 H 1 4.500 0.030 . 2 . . . . 12 GLY HA2 . 10226 1 73 . 1 1 12 12 GLY HA3 H 1 3.769 0.030 . 2 . . . . 12 GLY HA3 . 10226 1 74 . 1 1 12 12 GLY C C 13 172.909 0.300 . 1 . . . . 12 GLY C . 10226 1 75 . 1 1 12 12 GLY CA C 13 44.866 0.300 . 1 . . . . 12 GLY CA . 10226 1 76 . 1 1 12 12 GLY N N 15 112.502 0.300 . 1 . . . . 12 GLY N . 10226 1 77 . 1 1 13 13 CYS H H 1 8.686 0.030 . 1 . . . . 13 CYS H . 10226 1 78 . 1 1 13 13 CYS HA H 1 4.547 0.030 . 1 . . . . 13 CYS HA . 10226 1 79 . 1 1 13 13 CYS HB2 H 1 2.799 0.030 . 2 . . . . 13 CYS HB2 . 10226 1 80 . 1 1 13 13 CYS HB3 H 1 3.452 0.030 . 2 . . . . 13 CYS HB3 . 10226 1 81 . 1 1 13 13 CYS C C 13 175.788 0.300 . 1 . . . . 13 CYS C . 10226 1 82 . 1 1 13 13 CYS CA C 13 60.179 0.300 . 1 . . . . 13 CYS CA . 10226 1 83 . 1 1 13 13 CYS CB C 13 29.839 0.300 . 1 . . . . 13 CYS CB . 10226 1 84 . 1 1 13 13 CYS N N 15 125.797 0.300 . 1 . . . . 13 CYS N . 10226 1 85 . 1 1 14 14 SER H H 1 8.704 0.030 . 1 . . . . 14 SER H . 10226 1 86 . 1 1 14 14 SER HA H 1 4.546 0.030 . 1 . . . . 14 SER HA . 10226 1 87 . 1 1 14 14 SER HB2 H 1 4.106 0.030 . 2 . . . . 14 SER HB2 . 10226 1 88 . 1 1 14 14 SER HB3 H 1 4.023 0.030 . 2 . . . . 14 SER HB3 . 10226 1 89 . 1 1 14 14 SER C C 13 175.396 0.300 . 1 . . . . 14 SER C . 10226 1 90 . 1 1 14 14 SER CA C 13 60.293 0.300 . 1 . . . . 14 SER CA . 10226 1 91 . 1 1 14 14 SER CB C 13 63.628 0.300 . 1 . . . . 14 SER CB . 10226 1 92 . 1 1 14 14 SER N N 15 122.866 0.300 . 1 . . . . 14 SER N . 10226 1 93 . 1 1 15 15 CYS H H 1 9.679 0.030 . 1 . . . . 15 CYS H . 10226 1 94 . 1 1 15 15 CYS HA H 1 4.535 0.030 . 1 . . . . 15 CYS HA . 10226 1 95 . 1 1 15 15 CYS HB2 H 1 2.366 0.030 . 2 . . . . 15 CYS HB2 . 10226 1 96 . 1 1 15 15 CYS HB3 H 1 1.858 0.030 . 2 . . . . 15 CYS HB3 . 10226 1 97 . 1 1 15 15 CYS C C 13 173.642 0.300 . 1 . . . . 15 CYS C . 10226 1 98 . 1 1 15 15 CYS CA C 13 59.398 0.300 . 1 . . . . 15 CYS CA . 10226 1 99 . 1 1 15 15 CYS CB C 13 28.432 0.300 . 1 . . . . 15 CYS CB . 10226 1 100 . 1 1 15 15 CYS N N 15 122.384 0.300 . 1 . . . . 15 CYS N . 10226 1 101 . 1 1 16 16 CYS H H 1 7.858 0.030 . 1 . . . . 16 CYS H . 10226 1 102 . 1 1 16 16 CYS HA H 1 4.962 0.030 . 1 . . . . 16 CYS HA . 10226 1 103 . 1 1 16 16 CYS HB2 H 1 3.338 0.030 . 2 . . . . 16 CYS HB2 . 10226 1 104 . 1 1 16 16 CYS HB3 H 1 3.180 0.030 . 2 . . . . 16 CYS HB3 . 10226 1 105 . 1 1 16 16 CYS C C 13 173.129 0.300 . 1 . . . . 16 CYS C . 10226 1 106 . 1 1 16 16 CYS CA C 13 58.452 0.300 . 1 . . . . 16 CYS CA . 10226 1 107 . 1 1 16 16 CYS CB C 13 30.396 0.300 . 1 . . . . 16 CYS CB . 10226 1 108 . 1 1 16 16 CYS N N 15 119.545 0.300 . 1 . . . . 16 CYS N . 10226 1 109 . 1 1 17 17 GLU H H 1 8.764 0.030 . 1 . . . . 17 GLU H . 10226 1 110 . 1 1 17 17 GLU HA H 1 4.380 0.030 . 1 . . . . 17 GLU HA . 10226 1 111 . 1 1 17 17 GLU HB2 H 1 2.151 0.030 . 2 . . . . 17 GLU HB2 . 10226 1 112 . 1 1 17 17 GLU HB3 H 1 2.070 0.030 . 2 . . . . 17 GLU HB3 . 10226 1 113 . 1 1 17 17 GLU HG2 H 1 2.320 0.030 . 2 . . . . 17 GLU HG2 . 10226 1 114 . 1 1 17 17 GLU HG3 H 1 2.168 0.030 . 2 . . . . 17 GLU HG3 . 10226 1 115 . 1 1 17 17 GLU C C 13 176.904 0.300 . 1 . . . . 17 GLU C . 10226 1 116 . 1 1 17 17 GLU CA C 13 57.191 0.300 . 1 . . . . 17 GLU CA . 10226 1 117 . 1 1 17 17 GLU CB C 13 29.126 0.300 . 1 . . . . 17 GLU CB . 10226 1 118 . 1 1 17 17 GLU CG C 13 36.083 0.300 . 1 . . . . 17 GLU CG . 10226 1 119 . 1 1 17 17 GLU N N 15 115.814 0.300 . 1 . . . . 17 GLU N . 10226 1 120 . 1 1 18 18 LYS H H 1 8.528 0.030 . 1 . . . . 18 LYS H . 10226 1 121 . 1 1 18 18 LYS HA H 1 3.958 0.030 . 1 . . . . 18 LYS HA . 10226 1 122 . 1 1 18 18 LYS HB2 H 1 1.316 0.030 . 2 . . . . 18 LYS HB2 . 10226 1 123 . 1 1 18 18 LYS HB3 H 1 1.226 0.030 . 2 . . . . 18 LYS HB3 . 10226 1 124 . 1 1 18 18 LYS HD2 H 1 1.537 0.030 . 2 . . . . 18 LYS HD2 . 10226 1 125 . 1 1 18 18 LYS HD3 H 1 1.482 0.030 . 2 . . . . 18 LYS HD3 . 10226 1 126 . 1 1 18 18 LYS HE2 H 1 3.038 0.030 . 2 . . . . 18 LYS HE2 . 10226 1 127 . 1 1 18 18 LYS HE3 H 1 2.989 0.030 . 2 . . . . 18 LYS HE3 . 10226 1 128 . 1 1 18 18 LYS HG2 H 1 1.538 0.030 . 2 . . . . 18 LYS HG2 . 10226 1 129 . 1 1 18 18 LYS HG3 H 1 1.343 0.030 . 2 . . . . 18 LYS HG3 . 10226 1 130 . 1 1 18 18 LYS C C 13 174.076 0.300 . 1 . . . . 18 LYS C . 10226 1 131 . 1 1 18 18 LYS CA C 13 57.981 0.300 . 1 . . . . 18 LYS CA . 10226 1 132 . 1 1 18 18 LYS CB C 13 33.843 0.300 . 1 . . . . 18 LYS CB . 10226 1 133 . 1 1 18 18 LYS CD C 13 28.871 0.300 . 1 . . . . 18 LYS CD . 10226 1 134 . 1 1 18 18 LYS CE C 13 42.364 0.300 . 1 . . . . 18 LYS CE . 10226 1 135 . 1 1 18 18 LYS CG C 13 26.630 0.300 . 1 . . . . 18 LYS CG . 10226 1 136 . 1 1 18 18 LYS N N 15 123.831 0.300 . 1 . . . . 18 LYS N . 10226 1 137 . 1 1 19 19 ALA H H 1 7.491 0.030 . 1 . . . . 19 ALA H . 10226 1 138 . 1 1 19 19 ALA HA H 1 4.927 0.030 . 1 . . . . 19 ALA HA . 10226 1 139 . 1 1 19 19 ALA HB1 H 1 1.176 0.030 . 1 . . . . 19 ALA HB . 10226 1 140 . 1 1 19 19 ALA HB2 H 1 1.176 0.030 . 1 . . . . 19 ALA HB . 10226 1 141 . 1 1 19 19 ALA HB3 H 1 1.176 0.030 . 1 . . . . 19 ALA HB . 10226 1 142 . 1 1 19 19 ALA C C 13 175.484 0.300 . 1 . . . . 19 ALA C . 10226 1 143 . 1 1 19 19 ALA CA C 13 50.701 0.300 . 1 . . . . 19 ALA CA . 10226 1 144 . 1 1 19 19 ALA CB C 13 22.473 0.300 . 1 . . . . 19 ALA CB . 10226 1 145 . 1 1 19 19 ALA N N 15 121.053 0.300 . 1 . . . . 19 ALA N . 10226 1 146 . 1 1 20 20 PHE H H 1 8.290 0.030 . 1 . . . . 20 PHE H . 10226 1 147 . 1 1 20 20 PHE HA H 1 4.866 0.030 . 1 . . . . 20 PHE HA . 10226 1 148 . 1 1 20 20 PHE HB2 H 1 2.928 0.030 . 2 . . . . 20 PHE HB2 . 10226 1 149 . 1 1 20 20 PHE HB3 H 1 3.532 0.030 . 2 . . . . 20 PHE HB3 . 10226 1 150 . 1 1 20 20 PHE HD1 H 1 7.349 0.030 . 1 . . . . 20 PHE HD1 . 10226 1 151 . 1 1 20 20 PHE HD2 H 1 7.349 0.030 . 1 . . . . 20 PHE HD2 . 10226 1 152 . 1 1 20 20 PHE HE1 H 1 6.894 0.030 . 1 . . . . 20 PHE HE1 . 10226 1 153 . 1 1 20 20 PHE HE2 H 1 6.894 0.030 . 1 . . . . 20 PHE HE2 . 10226 1 154 . 1 1 20 20 PHE HZ H 1 6.283 0.030 . 1 . . . . 20 PHE HZ . 10226 1 155 . 1 1 20 20 PHE C C 13 175.801 0.300 . 1 . . . . 20 PHE C . 10226 1 156 . 1 1 20 20 PHE CA C 13 57.490 0.300 . 1 . . . . 20 PHE CA . 10226 1 157 . 1 1 20 20 PHE CB C 13 44.753 0.300 . 1 . . . . 20 PHE CB . 10226 1 158 . 1 1 20 20 PHE CD1 C 13 132.242 0.300 . 1 . . . . 20 PHE CD1 . 10226 1 159 . 1 1 20 20 PHE CD2 C 13 132.242 0.300 . 1 . . . . 20 PHE CD2 . 10226 1 160 . 1 1 20 20 PHE CE1 C 13 130.858 0.300 . 1 . . . . 20 PHE CE1 . 10226 1 161 . 1 1 20 20 PHE CE2 C 13 130.858 0.300 . 1 . . . . 20 PHE CE2 . 10226 1 162 . 1 1 20 20 PHE CZ C 13 129.414 0.300 . 1 . . . . 20 PHE CZ . 10226 1 163 . 1 1 20 20 PHE N N 15 115.317 0.300 . 1 . . . . 20 PHE N . 10226 1 164 . 1 1 21 21 SER H H 1 9.484 0.030 . 1 . . . . 21 SER H . 10226 1 165 . 1 1 21 21 SER HA H 1 4.683 0.030 . 1 . . . . 21 SER HA . 10226 1 166 . 1 1 21 21 SER HB2 H 1 4.246 0.030 . 2 . . . . 21 SER HB2 . 10226 1 167 . 1 1 21 21 SER HB3 H 1 4.059 0.030 . 2 . . . . 21 SER HB3 . 10226 1 168 . 1 1 21 21 SER C C 13 173.786 0.300 . 1 . . . . 21 SER C . 10226 1 169 . 1 1 21 21 SER CA C 13 59.901 0.300 . 1 . . . . 21 SER CA . 10226 1 170 . 1 1 21 21 SER CB C 13 64.199 0.300 . 1 . . . . 21 SER CB . 10226 1 171 . 1 1 21 21 SER N N 15 114.943 0.300 . 1 . . . . 21 SER N . 10226 1 172 . 1 1 22 22 SER H H 1 7.464 0.030 . 1 . . . . 22 SER H . 10226 1 173 . 1 1 22 22 SER HA H 1 4.647 0.030 . 1 . . . . 22 SER HA . 10226 1 174 . 1 1 22 22 SER HB2 H 1 3.656 0.030 . 2 . . . . 22 SER HB2 . 10226 1 175 . 1 1 22 22 SER HB3 H 1 3.879 0.030 . 2 . . . . 22 SER HB3 . 10226 1 176 . 1 1 22 22 SER C C 13 173.389 0.300 . 1 . . . . 22 SER C . 10226 1 177 . 1 1 22 22 SER CA C 13 56.125 0.300 . 1 . . . . 22 SER CA . 10226 1 178 . 1 1 22 22 SER CB C 13 66.257 0.300 . 1 . . . . 22 SER CB . 10226 1 179 . 1 1 22 22 SER N N 15 113.183 0.300 . 1 . . . . 22 SER N . 10226 1 180 . 1 1 23 23 LYS H H 1 8.305 0.030 . 1 . . . . 23 LYS H . 10226 1 181 . 1 1 23 23 LYS HA H 1 3.284 0.030 . 1 . . . . 23 LYS HA . 10226 1 182 . 1 1 23 23 LYS HB2 H 1 1.213 0.030 . 2 . . . . 23 LYS HB2 . 10226 1 183 . 1 1 23 23 LYS HB3 H 1 1.500 0.030 . 2 . . . . 23 LYS HB3 . 10226 1 184 . 1 1 23 23 LYS HD2 H 1 1.625 0.030 . 2 . . . . 23 LYS HD2 . 10226 1 185 . 1 1 23 23 LYS HD3 H 1 1.586 0.030 . 2 . . . . 23 LYS HD3 . 10226 1 186 . 1 1 23 23 LYS HE2 H 1 2.919 0.030 . 1 . . . . 23 LYS HE2 . 10226 1 187 . 1 1 23 23 LYS HE3 H 1 2.919 0.030 . 1 . . . . 23 LYS HE3 . 10226 1 188 . 1 1 23 23 LYS HG2 H 1 1.078 0.030 . 2 . . . . 23 LYS HG2 . 10226 1 189 . 1 1 23 23 LYS HG3 H 1 1.183 0.030 . 2 . . . . 23 LYS HG3 . 10226 1 190 . 1 1 23 23 LYS C C 13 178.132 0.300 . 1 . . . . 23 LYS C . 10226 1 191 . 1 1 23 23 LYS CA C 13 58.851 0.300 . 1 . . . . 23 LYS CA . 10226 1 192 . 1 1 23 23 LYS CB C 13 31.827 0.300 . 1 . . . . 23 LYS CB . 10226 1 193 . 1 1 23 23 LYS CD C 13 29.187 0.300 . 1 . . . . 23 LYS CD . 10226 1 194 . 1 1 23 23 LYS CE C 13 42.228 0.300 . 1 . . . . 23 LYS CE . 10226 1 195 . 1 1 23 23 LYS CG C 13 24.946 0.300 . 1 . . . . 23 LYS CG . 10226 1 196 . 1 1 23 23 LYS N N 15 125.042 0.300 . 1 . . . . 23 LYS N . 10226 1 197 . 1 1 24 24 SER H H 1 8.151 0.030 . 1 . . . . 24 SER H . 10226 1 198 . 1 1 24 24 SER HA H 1 3.975 0.030 . 1 . . . . 24 SER HA . 10226 1 199 . 1 1 24 24 SER HB2 H 1 3.681 0.030 . 2 . . . . 24 SER HB2 . 10226 1 200 . 1 1 24 24 SER HB3 H 1 3.649 0.030 . 2 . . . . 24 SER HB3 . 10226 1 201 . 1 1 24 24 SER C C 13 177.011 0.300 . 1 . . . . 24 SER C . 10226 1 202 . 1 1 24 24 SER CA C 13 61.634 0.300 . 1 . . . . 24 SER CA . 10226 1 203 . 1 1 24 24 SER CB C 13 61.917 0.300 . 1 . . . . 24 SER CB . 10226 1 204 . 1 1 24 24 SER N N 15 113.709 0.300 . 1 . . . . 24 SER N . 10226 1 205 . 1 1 25 25 TYR H H 1 7.271 0.030 . 1 . . . . 25 TYR H . 10226 1 206 . 1 1 25 25 TYR HA H 1 4.272 0.030 . 1 . . . . 25 TYR HA . 10226 1 207 . 1 1 25 25 TYR HB2 H 1 3.130 0.030 . 2 . . . . 25 TYR HB2 . 10226 1 208 . 1 1 25 25 TYR HB3 H 1 3.011 0.030 . 2 . . . . 25 TYR HB3 . 10226 1 209 . 1 1 25 25 TYR HD1 H 1 7.193 0.030 . 1 . . . . 25 TYR HD1 . 10226 1 210 . 1 1 25 25 TYR HD2 H 1 7.193 0.030 . 1 . . . . 25 TYR HD2 . 10226 1 211 . 1 1 25 25 TYR HE1 H 1 6.857 0.030 . 1 . . . . 25 TYR HE1 . 10226 1 212 . 1 1 25 25 TYR HE2 H 1 6.857 0.030 . 1 . . . . 25 TYR HE2 . 10226 1 213 . 1 1 25 25 TYR C C 13 178.725 0.300 . 1 . . . . 25 TYR C . 10226 1 214 . 1 1 25 25 TYR CA C 13 59.301 0.300 . 1 . . . . 25 TYR CA . 10226 1 215 . 1 1 25 25 TYR CB C 13 37.448 0.300 . 1 . . . . 25 TYR CB . 10226 1 216 . 1 1 25 25 TYR CD1 C 13 132.262 0.300 . 1 . . . . 25 TYR CD1 . 10226 1 217 . 1 1 25 25 TYR CD2 C 13 132.262 0.300 . 1 . . . . 25 TYR CD2 . 10226 1 218 . 1 1 25 25 TYR CE1 C 13 118.437 0.300 . 1 . . . . 25 TYR CE1 . 10226 1 219 . 1 1 25 25 TYR CE2 C 13 118.437 0.300 . 1 . . . . 25 TYR CE2 . 10226 1 220 . 1 1 25 25 TYR N N 15 119.928 0.300 . 1 . . . . 25 TYR N . 10226 1 221 . 1 1 26 26 LEU H H 1 7.350 0.030 . 1 . . . . 26 LEU H . 10226 1 222 . 1 1 26 26 LEU HA H 1 3.489 0.030 . 1 . . . . 26 LEU HA . 10226 1 223 . 1 1 26 26 LEU HB2 H 1 2.104 0.030 . 2 . . . . 26 LEU HB2 . 10226 1 224 . 1 1 26 26 LEU HB3 H 1 1.544 0.030 . 2 . . . . 26 LEU HB3 . 10226 1 225 . 1 1 26 26 LEU HD11 H 1 1.125 0.030 . 1 . . . . 26 LEU HD1 . 10226 1 226 . 1 1 26 26 LEU HD12 H 1 1.125 0.030 . 1 . . . . 26 LEU HD1 . 10226 1 227 . 1 1 26 26 LEU HD13 H 1 1.125 0.030 . 1 . . . . 26 LEU HD1 . 10226 1 228 . 1 1 26 26 LEU HD21 H 1 1.053 0.030 . 1 . . . . 26 LEU HD2 . 10226 1 229 . 1 1 26 26 LEU HD22 H 1 1.053 0.030 . 1 . . . . 26 LEU HD2 . 10226 1 230 . 1 1 26 26 LEU HD23 H 1 1.053 0.030 . 1 . . . . 26 LEU HD2 . 10226 1 231 . 1 1 26 26 LEU HG H 1 1.553 0.030 . 1 . . . . 26 LEU HG . 10226 1 232 . 1 1 26 26 LEU C C 13 177.610 0.300 . 1 . . . . 26 LEU C . 10226 1 233 . 1 1 26 26 LEU CA C 13 58.142 0.300 . 1 . . . . 26 LEU CA . 10226 1 234 . 1 1 26 26 LEU CB C 13 40.508 0.300 . 1 . . . . 26 LEU CB . 10226 1 235 . 1 1 26 26 LEU CD1 C 13 22.482 0.300 . 2 . . . . 26 LEU CD1 . 10226 1 236 . 1 1 26 26 LEU CD2 C 13 26.406 0.300 . 2 . . . . 26 LEU CD2 . 10226 1 237 . 1 1 26 26 LEU CG C 13 27.647 0.300 . 1 . . . . 26 LEU CG . 10226 1 238 . 1 1 26 26 LEU N N 15 121.655 0.300 . 1 . . . . 26 LEU N . 10226 1 239 . 1 1 27 27 LEU H H 1 8.265 0.030 . 1 . . . . 27 LEU H . 10226 1 240 . 1 1 27 27 LEU HA H 1 4.037 0.030 . 1 . . . . 27 LEU HA . 10226 1 241 . 1 1 27 27 LEU HB2 H 1 1.533 0.030 . 2 . . . . 27 LEU HB2 . 10226 1 242 . 1 1 27 27 LEU HB3 H 1 1.791 0.030 . 2 . . . . 27 LEU HB3 . 10226 1 243 . 1 1 27 27 LEU HD11 H 1 0.852 0.030 . 1 . . . . 27 LEU HD1 . 10226 1 244 . 1 1 27 27 LEU HD12 H 1 0.852 0.030 . 1 . . . . 27 LEU HD1 . 10226 1 245 . 1 1 27 27 LEU HD13 H 1 0.852 0.030 . 1 . . . . 27 LEU HD1 . 10226 1 246 . 1 1 27 27 LEU HD21 H 1 0.844 0.030 . 1 . . . . 27 LEU HD2 . 10226 1 247 . 1 1 27 27 LEU HD22 H 1 0.844 0.030 . 1 . . . . 27 LEU HD2 . 10226 1 248 . 1 1 27 27 LEU HD23 H 1 0.844 0.030 . 1 . . . . 27 LEU HD2 . 10226 1 249 . 1 1 27 27 LEU HG H 1 1.711 0.030 . 1 . . . . 27 LEU HG . 10226 1 250 . 1 1 27 27 LEU C C 13 180.253 0.300 . 1 . . . . 27 LEU C . 10226 1 251 . 1 1 27 27 LEU CA C 13 58.439 0.300 . 1 . . . . 27 LEU CA . 10226 1 252 . 1 1 27 27 LEU CB C 13 41.331 0.300 . 1 . . . . 27 LEU CB . 10226 1 253 . 1 1 27 27 LEU CD1 C 13 23.077 0.300 . 2 . . . . 27 LEU CD1 . 10226 1 254 . 1 1 27 27 LEU CD2 C 13 24.974 0.300 . 2 . . . . 27 LEU CD2 . 10226 1 255 . 1 1 27 27 LEU CG C 13 27.034 0.300 . 1 . . . . 27 LEU CG . 10226 1 256 . 1 1 27 27 LEU N N 15 119.638 0.300 . 1 . . . . 27 LEU N . 10226 1 257 . 1 1 28 28 VAL H H 1 7.309 0.030 . 1 . . . . 28 VAL H . 10226 1 258 . 1 1 28 28 VAL HA H 1 3.657 0.030 . 1 . . . . 28 VAL HA . 10226 1 259 . 1 1 28 28 VAL HB H 1 1.931 0.030 . 1 . . . . 28 VAL HB . 10226 1 260 . 1 1 28 28 VAL HG11 H 1 1.019 0.030 . 1 . . . . 28 VAL HG1 . 10226 1 261 . 1 1 28 28 VAL HG12 H 1 1.019 0.030 . 1 . . . . 28 VAL HG1 . 10226 1 262 . 1 1 28 28 VAL HG13 H 1 1.019 0.030 . 1 . . . . 28 VAL HG1 . 10226 1 263 . 1 1 28 28 VAL HG21 H 1 0.893 0.030 . 1 . . . . 28 VAL HG2 . 10226 1 264 . 1 1 28 28 VAL HG22 H 1 0.893 0.030 . 1 . . . . 28 VAL HG2 . 10226 1 265 . 1 1 28 28 VAL HG23 H 1 0.893 0.030 . 1 . . . . 28 VAL HG2 . 10226 1 266 . 1 1 28 28 VAL C C 13 178.970 0.300 . 1 . . . . 28 VAL C . 10226 1 267 . 1 1 28 28 VAL CA C 13 66.180 0.300 . 1 . . . . 28 VAL CA . 10226 1 268 . 1 1 28 28 VAL CB C 13 31.969 0.300 . 1 . . . . 28 VAL CB . 10226 1 269 . 1 1 28 28 VAL CG1 C 13 22.377 0.300 . 2 . . . . 28 VAL CG1 . 10226 1 270 . 1 1 28 28 VAL CG2 C 13 21.127 0.300 . 2 . . . . 28 VAL CG2 . 10226 1 271 . 1 1 28 28 VAL N N 15 118.388 0.300 . 1 . . . . 28 VAL N . 10226 1 272 . 1 1 29 29 HIS H H 1 7.497 0.030 . 1 . . . . 29 HIS H . 10226 1 273 . 1 1 29 29 HIS HA H 1 4.243 0.030 . 1 . . . . 29 HIS HA . 10226 1 274 . 1 1 29 29 HIS HB2 H 1 2.740 0.030 . 2 . . . . 29 HIS HB2 . 10226 1 275 . 1 1 29 29 HIS HB3 H 1 3.003 0.030 . 2 . . . . 29 HIS HB3 . 10226 1 276 . 1 1 29 29 HIS HD2 H 1 7.075 0.030 . 1 . . . . 29 HIS HD2 . 10226 1 277 . 1 1 29 29 HIS HE1 H 1 7.938 0.030 . 1 . . . . 29 HIS HE1 . 10226 1 278 . 1 1 29 29 HIS C C 13 178.219 0.300 . 1 . . . . 29 HIS C . 10226 1 279 . 1 1 29 29 HIS CA C 13 59.279 0.300 . 1 . . . . 29 HIS CA . 10226 1 280 . 1 1 29 29 HIS CB C 13 28.454 0.300 . 1 . . . . 29 HIS CB . 10226 1 281 . 1 1 29 29 HIS CD2 C 13 127.710 0.300 . 1 . . . . 29 HIS CD2 . 10226 1 282 . 1 1 29 29 HIS CE1 C 13 139.545 0.300 . 1 . . . . 29 HIS CE1 . 10226 1 283 . 1 1 29 29 HIS N N 15 119.388 0.300 . 1 . . . . 29 HIS N . 10226 1 284 . 1 1 30 30 GLN H H 1 9.111 0.030 . 1 . . . . 30 GLN H . 10226 1 285 . 1 1 30 30 GLN HA H 1 3.747 0.030 . 1 . . . . 30 GLN HA . 10226 1 286 . 1 1 30 30 GLN HB2 H 1 2.175 0.030 . 2 . . . . 30 GLN HB2 . 10226 1 287 . 1 1 30 30 GLN HB3 H 1 2.357 0.030 . 2 . . . . 30 GLN HB3 . 10226 1 288 . 1 1 30 30 GLN HE21 H 1 7.544 0.030 . 2 . . . . 30 GLN HE21 . 10226 1 289 . 1 1 30 30 GLN HE22 H 1 6.897 0.030 . 2 . . . . 30 GLN HE22 . 10226 1 290 . 1 1 30 30 GLN HG2 H 1 2.776 0.030 . 1 . . . . 30 GLN HG2 . 10226 1 291 . 1 1 30 30 GLN HG3 H 1 2.776 0.030 . 1 . . . . 30 GLN HG3 . 10226 1 292 . 1 1 30 30 GLN C C 13 178.137 0.300 . 1 . . . . 30 GLN C . 10226 1 293 . 1 1 30 30 GLN CA C 13 59.764 0.300 . 1 . . . . 30 GLN CA . 10226 1 294 . 1 1 30 30 GLN CB C 13 28.344 0.300 . 1 . . . . 30 GLN CB . 10226 1 295 . 1 1 30 30 GLN CG C 13 35.392 0.300 . 1 . . . . 30 GLN CG . 10226 1 296 . 1 1 30 30 GLN N N 15 120.017 0.300 . 1 . . . . 30 GLN N . 10226 1 297 . 1 1 30 30 GLN NE2 N 15 111.263 0.300 . 1 . . . . 30 GLN NE2 . 10226 1 298 . 1 1 31 31 GLN H H 1 7.359 0.030 . 1 . . . . 31 GLN H . 10226 1 299 . 1 1 31 31 GLN HA H 1 4.112 0.030 . 1 . . . . 31 GLN HA . 10226 1 300 . 1 1 31 31 GLN HB2 H 1 2.162 0.030 . 1 . . . . 31 GLN HB2 . 10226 1 301 . 1 1 31 31 GLN HB3 H 1 2.162 0.030 . 1 . . . . 31 GLN HB3 . 10226 1 302 . 1 1 31 31 GLN HE21 H 1 7.477 0.030 . 2 . . . . 31 GLN HE21 . 10226 1 303 . 1 1 31 31 GLN HE22 H 1 6.860 0.030 . 2 . . . . 31 GLN HE22 . 10226 1 304 . 1 1 31 31 GLN HG2 H 1 2.578 0.030 . 2 . . . . 31 GLN HG2 . 10226 1 305 . 1 1 31 31 GLN HG3 H 1 2.479 0.030 . 2 . . . . 31 GLN HG3 . 10226 1 306 . 1 1 31 31 GLN C C 13 177.890 0.300 . 1 . . . . 31 GLN C . 10226 1 307 . 1 1 31 31 GLN CA C 13 58.085 0.300 . 1 . . . . 31 GLN CA . 10226 1 308 . 1 1 31 31 GLN CB C 13 28.221 0.300 . 1 . . . . 31 GLN CB . 10226 1 309 . 1 1 31 31 GLN CG C 13 33.770 0.300 . 1 . . . . 31 GLN CG . 10226 1 310 . 1 1 31 31 GLN N N 15 117.750 0.300 . 1 . . . . 31 GLN N . 10226 1 311 . 1 1 31 31 GLN NE2 N 15 111.730 0.300 . 1 . . . . 31 GLN NE2 . 10226 1 312 . 1 1 32 32 THR H H 1 7.742 0.030 . 1 . . . . 32 THR H . 10226 1 313 . 1 1 32 32 THR HA H 1 4.117 0.030 . 1 . . . . 32 THR HA . 10226 1 314 . 1 1 32 32 THR HB H 1 4.016 0.030 . 1 . . . . 32 THR HB . 10226 1 315 . 1 1 32 32 THR HG21 H 1 1.166 0.030 . 1 . . . . 32 THR HG2 . 10226 1 316 . 1 1 32 32 THR HG22 H 1 1.166 0.030 . 1 . . . . 32 THR HG2 . 10226 1 317 . 1 1 32 32 THR HG23 H 1 1.166 0.030 . 1 . . . . 32 THR HG2 . 10226 1 318 . 1 1 32 32 THR C C 13 175.615 0.300 . 1 . . . . 32 THR C . 10226 1 319 . 1 1 32 32 THR CA C 13 64.073 0.300 . 1 . . . . 32 THR CA . 10226 1 320 . 1 1 32 32 THR CB C 13 69.291 0.300 . 1 . . . . 32 THR CB . 10226 1 321 . 1 1 32 32 THR CG2 C 13 20.946 0.300 . 1 . . . . 32 THR CG2 . 10226 1 322 . 1 1 32 32 THR N N 15 109.905 0.300 . 1 . . . . 32 THR N . 10226 1 323 . 1 1 33 33 HIS H H 1 7.068 0.030 . 1 . . . . 33 HIS H . 10226 1 324 . 1 1 33 33 HIS HA H 1 4.753 0.030 . 1 . . . . 33 HIS HA . 10226 1 325 . 1 1 33 33 HIS HB2 H 1 3.092 0.030 . 2 . . . . 33 HIS HB2 . 10226 1 326 . 1 1 33 33 HIS HB3 H 1 3.312 0.030 . 2 . . . . 33 HIS HB3 . 10226 1 327 . 1 1 33 33 HIS HD2 H 1 6.528 0.030 . 1 . . . . 33 HIS HD2 . 10226 1 328 . 1 1 33 33 HIS HE1 H 1 7.963 0.030 . 1 . . . . 33 HIS HE1 . 10226 1 329 . 1 1 33 33 HIS C C 13 175.057 0.300 . 1 . . . . 33 HIS C . 10226 1 330 . 1 1 33 33 HIS CA C 13 55.691 0.300 . 1 . . . . 33 HIS CA . 10226 1 331 . 1 1 33 33 HIS CB C 13 28.724 0.300 . 1 . . . . 33 HIS CB . 10226 1 332 . 1 1 33 33 HIS CD2 C 13 127.200 0.300 . 1 . . . . 33 HIS CD2 . 10226 1 333 . 1 1 33 33 HIS CE1 C 13 139.894 0.300 . 1 . . . . 33 HIS CE1 . 10226 1 334 . 1 1 33 33 HIS N N 15 118.435 0.300 . 1 . . . . 33 HIS N . 10226 1 335 . 1 1 34 34 ALA H H 1 7.616 0.030 . 1 . . . . 34 ALA H . 10226 1 336 . 1 1 34 34 ALA HA H 1 4.296 0.030 . 1 . . . . 34 ALA HA . 10226 1 337 . 1 1 34 34 ALA HB1 H 1 1.445 0.030 . 1 . . . . 34 ALA HB . 10226 1 338 . 1 1 34 34 ALA HB2 H 1 1.445 0.030 . 1 . . . . 34 ALA HB . 10226 1 339 . 1 1 34 34 ALA HB3 H 1 1.445 0.030 . 1 . . . . 34 ALA HB . 10226 1 340 . 1 1 34 34 ALA C C 13 177.663 0.300 . 1 . . . . 34 ALA C . 10226 1 341 . 1 1 34 34 ALA CA C 13 53.171 0.300 . 1 . . . . 34 ALA CA . 10226 1 342 . 1 1 34 34 ALA CB C 13 19.230 0.300 . 1 . . . . 34 ALA CB . 10226 1 343 . 1 1 34 34 ALA N N 15 123.327 0.300 . 1 . . . . 34 ALA N . 10226 1 344 . 1 1 35 35 GLU H H 1 8.207 0.030 . 1 . . . . 35 GLU H . 10226 1 345 . 1 1 35 35 GLU HA H 1 4.269 0.030 . 1 . . . . 35 GLU HA . 10226 1 346 . 1 1 35 35 GLU HB2 H 1 1.985 0.030 . 2 . . . . 35 GLU HB2 . 10226 1 347 . 1 1 35 35 GLU HB3 H 1 1.901 0.030 . 2 . . . . 35 GLU HB3 . 10226 1 348 . 1 1 35 35 GLU HG2 H 1 2.306 0.030 . 2 . . . . 35 GLU HG2 . 10226 1 349 . 1 1 35 35 GLU HG3 H 1 2.216 0.030 . 2 . . . . 35 GLU HG3 . 10226 1 350 . 1 1 35 35 GLU C C 13 176.386 0.300 . 1 . . . . 35 GLU C . 10226 1 351 . 1 1 35 35 GLU CA C 13 56.465 0.300 . 1 . . . . 35 GLU CA . 10226 1 352 . 1 1 35 35 GLU CB C 13 30.389 0.300 . 1 . . . . 35 GLU CB . 10226 1 353 . 1 1 35 35 GLU CG C 13 36.259 0.300 . 1 . . . . 35 GLU CG . 10226 1 354 . 1 1 35 35 GLU N N 15 119.026 0.300 . 1 . . . . 35 GLU N . 10226 1 355 . 1 1 36 36 GLU H H 1 8.207 0.030 . 1 . . . . 36 GLU H . 10226 1 356 . 1 1 36 36 GLU HA H 1 4.259 0.030 . 1 . . . . 36 GLU HA . 10226 1 357 . 1 1 36 36 GLU HB2 H 1 2.064 0.030 . 2 . . . . 36 GLU HB2 . 10226 1 358 . 1 1 36 36 GLU HB3 H 1 1.931 0.030 . 2 . . . . 36 GLU HB3 . 10226 1 359 . 1 1 36 36 GLU HG2 H 1 2.305 0.030 . 2 . . . . 36 GLU HG2 . 10226 1 360 . 1 1 36 36 GLU HG3 H 1 2.240 0.030 . 2 . . . . 36 GLU HG3 . 10226 1 361 . 1 1 36 36 GLU C C 13 176.128 0.300 . 1 . . . . 36 GLU C . 10226 1 362 . 1 1 36 36 GLU CA C 13 56.492 0.300 . 1 . . . . 36 GLU CA . 10226 1 363 . 1 1 36 36 GLU CB C 13 30.388 0.300 . 1 . . . . 36 GLU CB . 10226 1 364 . 1 1 36 36 GLU CG C 13 36.259 0.300 . 1 . . . . 36 GLU CG . 10226 1 365 . 1 1 36 36 GLU N N 15 122.100 0.300 . 1 . . . . 36 GLU N . 10226 1 366 . 1 1 37 37 LYS H H 1 8.374 0.030 . 1 . . . . 37 LYS H . 10226 1 367 . 1 1 37 37 LYS HA H 1 4.625 0.030 . 1 . . . . 37 LYS HA . 10226 1 368 . 1 1 37 37 LYS HB2 H 1 1.816 0.030 . 2 . . . . 37 LYS HB2 . 10226 1 369 . 1 1 37 37 LYS HB3 H 1 1.730 0.030 . 2 . . . . 37 LYS HB3 . 10226 1 370 . 1 1 37 37 LYS HD2 H 1 1.685 0.030 . 1 . . . . 37 LYS HD2 . 10226 1 371 . 1 1 37 37 LYS HD3 H 1 1.685 0.030 . 1 . . . . 37 LYS HD3 . 10226 1 372 . 1 1 37 37 LYS HE2 H 1 3.005 0.030 . 1 . . . . 37 LYS HE2 . 10226 1 373 . 1 1 37 37 LYS HE3 H 1 3.005 0.030 . 1 . . . . 37 LYS HE3 . 10226 1 374 . 1 1 37 37 LYS HG2 H 1 1.455 0.030 . 1 . . . . 37 LYS HG2 . 10226 1 375 . 1 1 37 37 LYS HG3 H 1 1.455 0.030 . 1 . . . . 37 LYS HG3 . 10226 1 376 . 1 1 37 37 LYS C C 13 174.358 0.300 . 1 . . . . 37 LYS C . 10226 1 377 . 1 1 37 37 LYS CA C 13 54.050 0.300 . 1 . . . . 37 LYS CA . 10226 1 378 . 1 1 37 37 LYS CB C 13 32.522 0.300 . 1 . . . . 37 LYS CB . 10226 1 379 . 1 1 37 37 LYS CD C 13 29.166 0.300 . 1 . . . . 37 LYS CD . 10226 1 380 . 1 1 37 37 LYS CE C 13 42.208 0.300 . 1 . . . . 37 LYS CE . 10226 1 381 . 1 1 37 37 LYS CG C 13 24.507 0.300 . 1 . . . . 37 LYS CG . 10226 1 382 . 1 1 37 37 LYS N N 15 123.799 0.300 . 1 . . . . 37 LYS N . 10226 1 383 . 1 1 38 38 PRO HA H 1 4.475 0.030 . 1 . . . . 38 PRO HA . 10226 1 384 . 1 1 38 38 PRO HB2 H 1 2.315 0.030 . 2 . . . . 38 PRO HB2 . 10226 1 385 . 1 1 38 38 PRO HB3 H 1 1.932 0.030 . 2 . . . . 38 PRO HB3 . 10226 1 386 . 1 1 38 38 PRO HD2 H 1 3.818 0.030 . 2 . . . . 38 PRO HD2 . 10226 1 387 . 1 1 38 38 PRO HD3 H 1 3.642 0.030 . 2 . . . . 38 PRO HD3 . 10226 1 388 . 1 1 38 38 PRO HG2 H 1 2.021 0.030 . 1 . . . . 38 PRO HG2 . 10226 1 389 . 1 1 38 38 PRO HG3 H 1 2.021 0.030 . 1 . . . . 38 PRO HG3 . 10226 1 390 . 1 1 38 38 PRO CA C 13 63.272 0.300 . 1 . . . . 38 PRO CA . 10226 1 391 . 1 1 38 38 PRO CB C 13 32.188 0.300 . 1 . . . . 38 PRO CB . 10226 1 392 . 1 1 38 38 PRO CD C 13 50.663 0.300 . 1 . . . . 38 PRO CD . 10226 1 393 . 1 1 38 38 PRO CG C 13 27.322 0.300 . 1 . . . . 38 PRO CG . 10226 1 394 . 1 1 39 39 SER HA H 1 4.471 0.030 . 1 . . . . 39 SER HA . 10226 1 395 . 1 1 39 39 SER HB2 H 1 3.866 0.030 . 2 . . . . 39 SER HB2 . 10226 1 396 . 1 1 39 39 SER CA C 13 58.269 0.300 . 1 . . . . 39 SER CA . 10226 1 397 . 1 1 39 39 SER CB C 13 63.956 0.300 . 1 . . . . 39 SER CB . 10226 1 398 . 1 1 40 40 GLY H H 1 8.233 0.030 . 1 . . . . 40 GLY H . 10226 1 399 . 1 1 40 40 GLY HA2 H 1 4.166 0.030 . 2 . . . . 40 GLY HA2 . 10226 1 400 . 1 1 40 40 GLY HA3 H 1 4.096 0.030 . 2 . . . . 40 GLY HA3 . 10226 1 401 . 1 1 40 40 GLY CA C 13 44.662 0.300 . 1 . . . . 40 GLY CA . 10226 1 402 . 1 1 40 40 GLY N N 15 110.667 0.300 . 1 . . . . 40 GLY N . 10226 1 403 . 1 1 41 41 PRO HA H 1 4.472 0.030 . 1 . . . . 41 PRO HA . 10226 1 404 . 1 1 41 41 PRO HB2 H 1 2.302 0.030 . 2 . . . . 41 PRO HB2 . 10226 1 405 . 1 1 41 41 PRO HB3 H 1 1.919 0.030 . 2 . . . . 41 PRO HB3 . 10226 1 406 . 1 1 41 41 PRO HD2 H 1 3.623 0.030 . 1 . . . . 41 PRO HD2 . 10226 1 407 . 1 1 41 41 PRO HD3 H 1 3.623 0.030 . 1 . . . . 41 PRO HD3 . 10226 1 408 . 1 1 41 41 PRO HG2 H 1 2.017 0.030 . 1 . . . . 41 PRO HG2 . 10226 1 409 . 1 1 41 41 PRO HG3 H 1 2.017 0.030 . 1 . . . . 41 PRO HG3 . 10226 1 410 . 1 1 41 41 PRO CA C 13 63.359 0.300 . 1 . . . . 41 PRO CA . 10226 1 411 . 1 1 41 41 PRO CB C 13 32.173 0.300 . 1 . . . . 41 PRO CB . 10226 1 412 . 1 1 41 41 PRO CD C 13 49.800 0.300 . 1 . . . . 41 PRO CD . 10226 1 413 . 1 1 41 41 PRO CG C 13 27.194 0.300 . 1 . . . . 41 PRO CG . 10226 1 414 . 1 1 42 42 SER H H 1 8.511 0.030 . 1 . . . . 42 SER H . 10226 1 415 . 1 1 42 42 SER N N 15 116.630 0.300 . 1 . . . . 42 SER N . 10226 1 stop_ save_