################################### # 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 10203 _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 10203 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10203 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 CA C 13 58.528 0.300 . 1 . . . . 6 SER CA . 10203 1 2 . 1 1 6 6 SER HA H 1 4.485 0.030 . 1 . . . . 6 SER HA . 10203 1 3 . 1 1 6 6 SER CB C 13 63.865 0.300 . 1 . . . . 6 SER CB . 10203 1 4 . 1 1 6 6 SER HB2 H 1 3.879 0.030 . 1 . . . . 6 SER HB2 . 10203 1 5 . 1 1 6 6 SER HB3 H 1 3.879 0.030 . 1 . . . . 6 SER HB3 . 10203 1 6 . 1 1 6 6 SER C C 13 175.149 0.300 . 1 . . . . 6 SER C . 10203 1 7 . 1 1 7 7 GLY N N 15 110.926 0.300 . 1 . . . . 7 GLY N . 10203 1 8 . 1 1 7 7 GLY H H 1 8.464 0.030 . 1 . . . . 7 GLY H . 10203 1 9 . 1 1 7 7 GLY CA C 13 45.461 0.300 . 1 . . . . 7 GLY CA . 10203 1 10 . 1 1 7 7 GLY HA2 H 1 4.019 0.030 . 1 . . . . 7 GLY HA2 . 10203 1 11 . 1 1 7 7 GLY HA3 H 1 4.019 0.030 . 1 . . . . 7 GLY HA3 . 10203 1 12 . 1 1 7 7 GLY C C 13 174.546 0.300 . 1 . . . . 7 GLY C . 10203 1 13 . 1 1 8 8 THR N N 15 112.839 0.300 . 1 . . . . 8 THR N . 10203 1 14 . 1 1 8 8 THR H H 1 8.154 0.030 . 1 . . . . 8 THR H . 10203 1 15 . 1 1 8 8 THR CA C 13 61.923 0.300 . 1 . . . . 8 THR CA . 10203 1 16 . 1 1 8 8 THR HA H 1 4.357 0.030 . 1 . . . . 8 THR HA . 10203 1 17 . 1 1 8 8 THR CB C 13 69.768 0.300 . 1 . . . . 8 THR CB . 10203 1 18 . 1 1 8 8 THR HB H 1 4.283 0.030 . 1 . . . . 8 THR HB . 10203 1 19 . 1 1 8 8 THR CG2 C 13 21.519 0.300 . 1 . . . . 8 THR CG2 . 10203 1 20 . 1 1 8 8 THR HG21 H 1 1.181 0.030 . 1 . . . . 8 THR HG2 . 10203 1 21 . 1 1 8 8 THR HG22 H 1 1.181 0.030 . 1 . . . . 8 THR HG2 . 10203 1 22 . 1 1 8 8 THR HG23 H 1 1.181 0.030 . 1 . . . . 8 THR HG2 . 10203 1 23 . 1 1 8 8 THR C C 13 175.302 0.300 . 1 . . . . 8 THR C . 10203 1 24 . 1 1 9 9 GLY N N 15 111.223 0.300 . 1 . . . . 9 GLY N . 10203 1 25 . 1 1 9 9 GLY H H 1 8.456 0.030 . 1 . . . . 9 GLY H . 10203 1 26 . 1 1 9 9 GLY CA C 13 45.282 0.300 . 1 . . . . 9 GLY CA . 10203 1 27 . 1 1 9 9 GLY HA2 H 1 3.933 0.030 . 1 . . . . 9 GLY HA2 . 10203 1 28 . 1 1 9 9 GLY HA3 H 1 3.933 0.030 . 1 . . . . 9 GLY HA3 . 10203 1 29 . 1 1 9 9 GLY C C 13 173.949 0.300 . 1 . . . . 9 GLY C . 10203 1 30 . 1 1 10 10 GLU N N 15 120.531 0.300 . 1 . . . . 10 GLU N . 10203 1 31 . 1 1 10 10 GLU H H 1 8.215 0.030 . 1 . . . . 10 GLU H . 10203 1 32 . 1 1 10 10 GLU CA C 13 56.445 0.300 . 1 . . . . 10 GLU CA . 10203 1 33 . 1 1 10 10 GLU HA H 1 4.223 0.030 . 1 . . . . 10 GLU HA . 10203 1 34 . 1 1 10 10 GLU CB C 13 30.431 0.300 . 1 . . . . 10 GLU CB . 10203 1 35 . 1 1 10 10 GLU HB2 H 1 1.842 0.030 . 2 . . . . 10 GLU HB2 . 10203 1 36 . 1 1 10 10 GLU HB3 H 1 1.944 0.030 . 2 . . . . 10 GLU HB3 . 10203 1 37 . 1 1 10 10 GLU CG C 13 36.281 0.300 . 1 . . . . 10 GLU CG . 10203 1 38 . 1 1 10 10 GLU HG2 H 1 2.211 0.030 . 1 . . . . 10 GLU HG2 . 10203 1 39 . 1 1 10 10 GLU HG3 H 1 2.211 0.030 . 1 . . . . 10 GLU HG3 . 10203 1 40 . 1 1 10 10 GLU C C 13 176.168 0.300 . 1 . . . . 10 GLU C . 10203 1 41 . 1 1 11 11 ARG N N 15 122.264 0.300 . 1 . . . . 11 ARG N . 10203 1 42 . 1 1 11 11 ARG H H 1 8.353 0.030 . 1 . . . . 11 ARG H . 10203 1 43 . 1 1 11 11 ARG CA C 13 55.619 0.300 . 1 . . . . 11 ARG CA . 10203 1 44 . 1 1 11 11 ARG HA H 1 4.214 0.030 . 1 . . . . 11 ARG HA . 10203 1 45 . 1 1 11 11 ARG CB C 13 30.650 0.300 . 1 . . . . 11 ARG CB . 10203 1 46 . 1 1 11 11 ARG HB2 H 1 1.643 0.030 . 1 . . . . 11 ARG HB2 . 10203 1 47 . 1 1 11 11 ARG HB3 H 1 1.643 0.030 . 1 . . . . 11 ARG HB3 . 10203 1 48 . 1 1 11 11 ARG CG C 13 26.927 0.300 . 1 . . . . 11 ARG CG . 10203 1 49 . 1 1 11 11 ARG HG2 H 1 1.449 0.030 . 1 . . . . 11 ARG HG2 . 10203 1 50 . 1 1 11 11 ARG HG3 H 1 1.449 0.030 . 1 . . . . 11 ARG HG3 . 10203 1 51 . 1 1 11 11 ARG CD C 13 43.278 0.300 . 1 . . . . 11 ARG CD . 10203 1 52 . 1 1 11 11 ARG HD2 H 1 3.104 0.030 . 1 . . . . 11 ARG HD2 . 10203 1 53 . 1 1 11 11 ARG HD3 H 1 3.104 0.030 . 1 . . . . 11 ARG HD3 . 10203 1 54 . 1 1 11 11 ARG C C 13 174.908 0.300 . 1 . . . . 11 ARG C . 10203 1 55 . 1 1 12 12 HIS N N 15 119.171 0.300 . 1 . . . . 12 HIS N . 10203 1 56 . 1 1 12 12 HIS H H 1 7.945 0.030 . 1 . . . . 12 HIS H . 10203 1 57 . 1 1 12 12 HIS CA C 13 55.289 0.300 . 1 . . . . 12 HIS CA . 10203 1 58 . 1 1 12 12 HIS HA H 1 4.649 0.030 . 1 . . . . 12 HIS HA . 10203 1 59 . 1 1 12 12 HIS CB C 13 31.520 0.300 . 1 . . . . 12 HIS CB . 10203 1 60 . 1 1 12 12 HIS HB2 H 1 2.823 0.030 . 2 . . . . 12 HIS HB2 . 10203 1 61 . 1 1 12 12 HIS HB3 H 1 2.908 0.030 . 2 . . . . 12 HIS HB3 . 10203 1 62 . 1 1 12 12 HIS CD2 C 13 119.303 0.300 . 1 . . . . 12 HIS CD2 . 10203 1 63 . 1 1 12 12 HIS HD2 H 1 6.799 0.030 . 1 . . . . 12 HIS HD2 . 10203 1 64 . 1 1 12 12 HIS CE1 C 13 137.841 0.300 . 1 . . . . 12 HIS CE1 . 10203 1 65 . 1 1 12 12 HIS HE1 H 1 7.918 0.030 . 1 . . . . 12 HIS HE1 . 10203 1 66 . 1 1 12 12 HIS C C 13 173.771 0.300 . 1 . . . . 12 HIS C . 10203 1 67 . 1 1 13 13 TYR N N 15 121.025 0.300 . 1 . . . . 13 TYR N . 10203 1 68 . 1 1 13 13 TYR H H 1 8.713 0.030 . 1 . . . . 13 TYR H . 10203 1 69 . 1 1 13 13 TYR CA C 13 57.433 0.300 . 1 . . . . 13 TYR CA . 10203 1 70 . 1 1 13 13 TYR HA H 1 4.636 0.030 . 1 . . . . 13 TYR HA . 10203 1 71 . 1 1 13 13 TYR CB C 13 39.706 0.300 . 1 . . . . 13 TYR CB . 10203 1 72 . 1 1 13 13 TYR HB2 H 1 2.700 0.030 . 2 . . . . 13 TYR HB2 . 10203 1 73 . 1 1 13 13 TYR HB3 H 1 3.038 0.030 . 2 . . . . 13 TYR HB3 . 10203 1 74 . 1 1 13 13 TYR CD1 C 13 133.387 0.300 . 1 . . . . 13 TYR CD1 . 10203 1 75 . 1 1 13 13 TYR HD1 H 1 6.989 0.030 . 1 . . . . 13 TYR HD1 . 10203 1 76 . 1 1 13 13 TYR CD2 C 13 133.387 0.300 . 1 . . . . 13 TYR CD2 . 10203 1 77 . 1 1 13 13 TYR HD2 H 1 6.989 0.030 . 1 . . . . 13 TYR HD2 . 10203 1 78 . 1 1 13 13 TYR CE1 C 13 118.151 0.300 . 1 . . . . 13 TYR CE1 . 10203 1 79 . 1 1 13 13 TYR HE1 H 1 6.826 0.030 . 1 . . . . 13 TYR HE1 . 10203 1 80 . 1 1 13 13 TYR CE2 C 13 118.151 0.300 . 1 . . . . 13 TYR CE2 . 10203 1 81 . 1 1 13 13 TYR HE2 H 1 6.826 0.030 . 1 . . . . 13 TYR HE2 . 10203 1 82 . 1 1 13 13 TYR C C 13 174.850 0.300 . 1 . . . . 13 TYR C . 10203 1 83 . 1 1 14 14 GLU N N 15 123.621 0.300 . 1 . . . . 14 GLU N . 10203 1 84 . 1 1 14 14 GLU H H 1 8.762 0.030 . 1 . . . . 14 GLU H . 10203 1 85 . 1 1 14 14 GLU CA C 13 55.073 0.300 . 1 . . . . 14 GLU CA . 10203 1 86 . 1 1 14 14 GLU HA H 1 4.949 0.030 . 1 . . . . 14 GLU HA . 10203 1 87 . 1 1 14 14 GLU CB C 13 32.760 0.300 . 1 . . . . 14 GLU CB . 10203 1 88 . 1 1 14 14 GLU HB2 H 1 1.812 0.030 . 1 . . . . 14 GLU HB2 . 10203 1 89 . 1 1 14 14 GLU HB3 H 1 1.812 0.030 . 1 . . . . 14 GLU HB3 . 10203 1 90 . 1 1 14 14 GLU CG C 13 36.660 0.300 . 1 . . . . 14 GLU CG . 10203 1 91 . 1 1 14 14 GLU HG2 H 1 1.981 0.030 . 1 . . . . 14 GLU HG2 . 10203 1 92 . 1 1 14 14 GLU HG3 H 1 1.981 0.030 . 1 . . . . 14 GLU HG3 . 10203 1 93 . 1 1 14 14 GLU C C 13 175.487 0.300 . 1 . . . . 14 GLU C . 10203 1 94 . 1 1 15 15 CYS N N 15 126.353 0.300 . 1 . . . . 15 CYS N . 10203 1 95 . 1 1 15 15 CYS H H 1 9.253 0.030 . 1 . . . . 15 CYS H . 10203 1 96 . 1 1 15 15 CYS CA C 13 59.508 0.300 . 1 . . . . 15 CYS CA . 10203 1 97 . 1 1 15 15 CYS HA H 1 4.580 0.030 . 1 . . . . 15 CYS HA . 10203 1 98 . 1 1 15 15 CYS CB C 13 29.646 0.300 . 1 . . . . 15 CYS CB . 10203 1 99 . 1 1 15 15 CYS HB2 H 1 2.889 0.030 . 2 . . . . 15 CYS HB2 . 10203 1 100 . 1 1 15 15 CYS HB3 H 1 3.426 0.030 . 2 . . . . 15 CYS HB3 . 10203 1 101 . 1 1 15 15 CYS C C 13 177.465 0.300 . 1 . . . . 15 CYS C . 10203 1 102 . 1 1 16 16 SER CA C 13 60.968 0.300 . 1 . . . . 16 SER CA . 10203 1 103 . 1 1 16 16 SER HA H 1 4.291 0.030 . 1 . . . . 16 SER HA . 10203 1 104 . 1 1 16 16 SER CB C 13 63.017 0.300 . 1 . . . . 16 SER CB . 10203 1 105 . 1 1 16 16 SER HB2 H 1 4.032 0.030 . 1 . . . . 16 SER HB2 . 10203 1 106 . 1 1 16 16 SER HB3 H 1 4.032 0.030 . 1 . . . . 16 SER HB3 . 10203 1 107 . 1 1 16 16 SER C C 13 174.550 0.300 . 1 . . . . 16 SER C . 10203 1 108 . 1 1 17 17 GLU N N 15 122.749 0.300 . 1 . . . . 17 GLU N . 10203 1 109 . 1 1 17 17 GLU H H 1 8.679 0.030 . 1 . . . . 17 GLU H . 10203 1 110 . 1 1 17 17 GLU CA C 13 58.170 0.300 . 1 . . . . 17 GLU CA . 10203 1 111 . 1 1 17 17 GLU HA H 1 4.252 0.030 . 1 . . . . 17 GLU HA . 10203 1 112 . 1 1 17 17 GLU CB C 13 29.693 0.300 . 1 . . . . 17 GLU CB . 10203 1 113 . 1 1 17 17 GLU HB2 H 1 1.288 0.030 . 2 . . . . 17 GLU HB2 . 10203 1 114 . 1 1 17 17 GLU HB3 H 1 1.387 0.030 . 2 . . . . 17 GLU HB3 . 10203 1 115 . 1 1 17 17 GLU CG C 13 36.248 0.300 . 1 . . . . 17 GLU CG . 10203 1 116 . 1 1 17 17 GLU HG2 H 1 1.833 0.030 . 2 . . . . 17 GLU HG2 . 10203 1 117 . 1 1 17 17 GLU HG3 H 1 1.952 0.030 . 2 . . . . 17 GLU HG3 . 10203 1 118 . 1 1 17 17 GLU C C 13 177.114 0.300 . 1 . . . . 17 GLU C . 10203 1 119 . 1 1 18 18 CYS N N 15 114.770 0.300 . 1 . . . . 18 CYS N . 10203 1 120 . 1 1 18 18 CYS H H 1 7.892 0.030 . 1 . . . . 18 CYS H . 10203 1 121 . 1 1 18 18 CYS CA C 13 58.423 0.300 . 1 . . . . 18 CYS CA . 10203 1 122 . 1 1 18 18 CYS HA H 1 5.160 0.030 . 1 . . . . 18 CYS HA . 10203 1 123 . 1 1 18 18 CYS CB C 13 32.475 0.300 . 1 . . . . 18 CYS CB . 10203 1 124 . 1 1 18 18 CYS HB2 H 1 2.858 0.030 . 2 . . . . 18 CYS HB2 . 10203 1 125 . 1 1 18 18 CYS HB3 H 1 3.434 0.030 . 2 . . . . 18 CYS HB3 . 10203 1 126 . 1 1 18 18 CYS C C 13 176.207 0.300 . 1 . . . . 18 CYS C . 10203 1 127 . 1 1 19 19 GLY N N 15 113.459 0.300 . 1 . . . . 19 GLY N . 10203 1 128 . 1 1 19 19 GLY H H 1 8.233 0.030 . 1 . . . . 19 GLY H . 10203 1 129 . 1 1 19 19 GLY CA C 13 46.185 0.300 . 1 . . . . 19 GLY CA . 10203 1 130 . 1 1 19 19 GLY HA2 H 1 3.869 0.030 . 2 . . . . 19 GLY HA2 . 10203 1 131 . 1 1 19 19 GLY HA3 H 1 4.218 0.030 . 2 . . . . 19 GLY HA3 . 10203 1 132 . 1 1 19 19 GLY C C 13 173.698 0.300 . 1 . . . . 19 GLY C . 10203 1 133 . 1 1 20 20 LYS N N 15 122.669 0.300 . 1 . . . . 20 LYS N . 10203 1 134 . 1 1 20 20 LYS H H 1 7.913 0.030 . 1 . . . . 20 LYS H . 10203 1 135 . 1 1 20 20 LYS CA C 13 58.015 0.300 . 1 . . . . 20 LYS CA . 10203 1 136 . 1 1 20 20 LYS HA H 1 3.946 0.030 . 1 . . . . 20 LYS HA . 10203 1 137 . 1 1 20 20 LYS CB C 13 33.818 0.300 . 1 . . . . 20 LYS CB . 10203 1 138 . 1 1 20 20 LYS HB2 H 1 1.220 0.030 . 2 . . . . 20 LYS HB2 . 10203 1 139 . 1 1 20 20 LYS HB3 H 1 1.444 0.030 . 2 . . . . 20 LYS HB3 . 10203 1 140 . 1 1 20 20 LYS CG C 13 26.158 0.300 . 1 . . . . 20 LYS CG . 10203 1 141 . 1 1 20 20 LYS HG2 H 1 1.079 0.030 . 2 . . . . 20 LYS HG2 . 10203 1 142 . 1 1 20 20 LYS HG3 H 1 1.418 0.030 . 2 . . . . 20 LYS HG3 . 10203 1 143 . 1 1 20 20 LYS CD C 13 29.325 0.300 . 1 . . . . 20 LYS CD . 10203 1 144 . 1 1 20 20 LYS HD2 H 1 1.527 0.030 . 2 . . . . 20 LYS HD2 . 10203 1 145 . 1 1 20 20 LYS HD3 H 1 1.450 0.030 . 2 . . . . 20 LYS HD3 . 10203 1 146 . 1 1 20 20 LYS CE C 13 42.193 0.300 . 1 . . . . 20 LYS CE . 10203 1 147 . 1 1 20 20 LYS HE2 H 1 2.908 0.030 . 2 . . . . 20 LYS HE2 . 10203 1 148 . 1 1 20 20 LYS HE3 H 1 2.977 0.030 . 2 . . . . 20 LYS HE3 . 10203 1 149 . 1 1 20 20 LYS C C 13 173.787 0.300 . 1 . . . . 20 LYS C . 10203 1 150 . 1 1 21 21 ALA N N 15 123.558 0.300 . 1 . . . . 21 ALA N . 10203 1 151 . 1 1 21 21 ALA H H 1 7.862 0.030 . 1 . . . . 21 ALA H . 10203 1 152 . 1 1 21 21 ALA CA C 13 50.537 0.300 . 1 . . . . 21 ALA CA . 10203 1 153 . 1 1 21 21 ALA HA H 1 5.010 0.030 . 1 . . . . 21 ALA HA . 10203 1 154 . 1 1 21 21 ALA CB C 13 21.863 0.300 . 1 . . . . 21 ALA CB . 10203 1 155 . 1 1 21 21 ALA HB1 H 1 1.090 0.030 . 1 . . . . 21 ALA HB . 10203 1 156 . 1 1 21 21 ALA HB2 H 1 1.090 0.030 . 1 . . . . 21 ALA HB . 10203 1 157 . 1 1 21 21 ALA HB3 H 1 1.090 0.030 . 1 . . . . 21 ALA HB . 10203 1 158 . 1 1 21 21 ALA C C 13 176.488 0.300 . 1 . . . . 21 ALA C . 10203 1 159 . 1 1 22 22 PHE N N 15 117.848 0.300 . 1 . . . . 22 PHE N . 10203 1 160 . 1 1 22 22 PHE H H 1 8.649 0.030 . 1 . . . . 22 PHE H . 10203 1 161 . 1 1 22 22 PHE CA C 13 57.125 0.300 . 1 . . . . 22 PHE CA . 10203 1 162 . 1 1 22 22 PHE HA H 1 4.749 0.030 . 1 . . . . 22 PHE HA . 10203 1 163 . 1 1 22 22 PHE CB C 13 43.540 0.300 . 1 . . . . 22 PHE CB . 10203 1 164 . 1 1 22 22 PHE HB2 H 1 2.607 0.030 . 2 . . . . 22 PHE HB2 . 10203 1 165 . 1 1 22 22 PHE HB3 H 1 3.410 0.030 . 2 . . . . 22 PHE HB3 . 10203 1 166 . 1 1 22 22 PHE CD1 C 13 132.668 0.300 . 1 . . . . 22 PHE CD1 . 10203 1 167 . 1 1 22 22 PHE HD1 H 1 7.229 0.030 . 1 . . . . 22 PHE HD1 . 10203 1 168 . 1 1 22 22 PHE CD2 C 13 132.668 0.300 . 1 . . . . 22 PHE CD2 . 10203 1 169 . 1 1 22 22 PHE HD2 H 1 7.229 0.030 . 1 . . . . 22 PHE HD2 . 10203 1 170 . 1 1 22 22 PHE CE1 C 13 130.531 0.300 . 1 . . . . 22 PHE CE1 . 10203 1 171 . 1 1 22 22 PHE HE1 H 1 6.806 0.030 . 1 . . . . 22 PHE HE1 . 10203 1 172 . 1 1 22 22 PHE CE2 C 13 130.531 0.300 . 1 . . . . 22 PHE CE2 . 10203 1 173 . 1 1 22 22 PHE HE2 H 1 6.806 0.030 . 1 . . . . 22 PHE HE2 . 10203 1 174 . 1 1 22 22 PHE CZ C 13 128.527 0.300 . 1 . . . . 22 PHE CZ . 10203 1 175 . 1 1 22 22 PHE HZ H 1 6.155 0.030 . 1 . . . . 22 PHE HZ . 10203 1 176 . 1 1 22 22 PHE C C 13 175.470 0.300 . 1 . . . . 22 PHE C . 10203 1 177 . 1 1 23 23 ILE N N 15 118.637 0.300 . 1 . . . . 23 ILE N . 10203 1 178 . 1 1 23 23 ILE H H 1 8.795 0.030 . 1 . . . . 23 ILE H . 10203 1 179 . 1 1 23 23 ILE CA C 13 62.569 0.300 . 1 . . . . 23 ILE CA . 10203 1 180 . 1 1 23 23 ILE HA H 1 4.413 0.030 . 1 . . . . 23 ILE HA . 10203 1 181 . 1 1 23 23 ILE CB C 13 38.735 0.300 . 1 . . . . 23 ILE CB . 10203 1 182 . 1 1 23 23 ILE HB H 1 2.055 0.030 . 1 . . . . 23 ILE HB . 10203 1 183 . 1 1 23 23 ILE CG1 C 13 28.000 0.300 . 1 . . . . 23 ILE CG1 . 10203 1 184 . 1 1 23 23 ILE HG12 H 1 1.259 0.030 . 2 . . . . 23 ILE HG12 . 10203 1 185 . 1 1 23 23 ILE HG13 H 1 1.519 0.030 . 2 . . . . 23 ILE HG13 . 10203 1 186 . 1 1 23 23 ILE CG2 C 13 17.895 0.300 . 1 . . . . 23 ILE CG2 . 10203 1 187 . 1 1 23 23 ILE HG21 H 1 0.983 0.030 . 1 . . . . 23 ILE HG2 . 10203 1 188 . 1 1 23 23 ILE HG22 H 1 0.983 0.030 . 1 . . . . 23 ILE HG2 . 10203 1 189 . 1 1 23 23 ILE HG23 H 1 0.983 0.030 . 1 . . . . 23 ILE HG2 . 10203 1 190 . 1 1 23 23 ILE CD1 C 13 13.284 0.300 . 1 . . . . 23 ILE CD1 . 10203 1 191 . 1 1 23 23 ILE HD11 H 1 0.882 0.030 . 1 . . . . 23 ILE HD1 . 10203 1 192 . 1 1 23 23 ILE HD12 H 1 0.882 0.030 . 1 . . . . 23 ILE HD1 . 10203 1 193 . 1 1 23 23 ILE HD13 H 1 0.882 0.030 . 1 . . . . 23 ILE HD1 . 10203 1 194 . 1 1 23 23 ILE C C 13 175.892 0.300 . 1 . . . . 23 ILE C . 10203 1 195 . 1 1 24 24 GLN N N 15 115.722 0.300 . 1 . . . . 24 GLN N . 10203 1 196 . 1 1 24 24 GLN H H 1 7.552 0.030 . 1 . . . . 24 GLN H . 10203 1 197 . 1 1 24 24 GLN CA C 13 54.181 0.300 . 1 . . . . 24 GLN CA . 10203 1 198 . 1 1 24 24 GLN HA H 1 4.813 0.030 . 1 . . . . 24 GLN HA . 10203 1 199 . 1 1 24 24 GLN CB C 13 31.481 0.300 . 1 . . . . 24 GLN CB . 10203 1 200 . 1 1 24 24 GLN HB2 H 1 2.144 0.030 . 2 . . . . 24 GLN HB2 . 10203 1 201 . 1 1 24 24 GLN HB3 H 1 2.242 0.030 . 2 . . . . 24 GLN HB3 . 10203 1 202 . 1 1 24 24 GLN CG C 13 33.961 0.300 . 1 . . . . 24 GLN CG . 10203 1 203 . 1 1 24 24 GLN HG2 H 1 2.425 0.030 . 1 . . . . 24 GLN HG2 . 10203 1 204 . 1 1 24 24 GLN HG3 H 1 2.425 0.030 . 1 . . . . 24 GLN HG3 . 10203 1 205 . 1 1 24 24 GLN NE2 N 15 111.942 0.300 . 1 . . . . 24 GLN NE2 . 10203 1 206 . 1 1 24 24 GLN HE21 H 1 6.944 0.030 . 2 . . . . 24 GLN HE21 . 10203 1 207 . 1 1 24 24 GLN HE22 H 1 7.463 0.030 . 2 . . . . 24 GLN HE22 . 10203 1 208 . 1 1 24 24 GLN C C 13 175.651 0.300 . 1 . . . . 24 GLN C . 10203 1 209 . 1 1 25 25 LYS N N 15 125.530 0.300 . 1 . . . . 25 LYS N . 10203 1 210 . 1 1 25 25 LYS H H 1 8.527 0.030 . 1 . . . . 25 LYS H . 10203 1 211 . 1 1 25 25 LYS CA C 13 59.400 0.300 . 1 . . . . 25 LYS CA . 10203 1 212 . 1 1 25 25 LYS HA H 1 3.168 0.030 . 1 . . . . 25 LYS HA . 10203 1 213 . 1 1 25 25 LYS CB C 13 31.725 0.300 . 1 . . . . 25 LYS CB . 10203 1 214 . 1 1 25 25 LYS HB2 H 1 1.151 0.030 . 2 . . . . 25 LYS HB2 . 10203 1 215 . 1 1 25 25 LYS HB3 H 1 1.483 0.030 . 2 . . . . 25 LYS HB3 . 10203 1 216 . 1 1 25 25 LYS CG C 13 25.010 0.300 . 1 . . . . 25 LYS CG . 10203 1 217 . 1 1 25 25 LYS HG2 H 1 0.960 0.030 . 2 . . . . 25 LYS HG2 . 10203 1 218 . 1 1 25 25 LYS HG3 H 1 1.057 0.030 . 2 . . . . 25 LYS HG3 . 10203 1 219 . 1 1 25 25 LYS CD C 13 29.126 0.300 . 1 . . . . 25 LYS CD . 10203 1 220 . 1 1 25 25 LYS HD2 H 1 1.470 0.030 . 2 . . . . 25 LYS HD2 . 10203 1 221 . 1 1 25 25 LYS HD3 H 1 1.536 0.030 . 2 . . . . 25 LYS HD3 . 10203 1 222 . 1 1 25 25 LYS CE C 13 42.045 0.300 . 1 . . . . 25 LYS CE . 10203 1 223 . 1 1 25 25 LYS HE2 H 1 2.863 0.030 . 1 . . . . 25 LYS HE2 . 10203 1 224 . 1 1 25 25 LYS HE3 H 1 2.863 0.030 . 1 . . . . 25 LYS HE3 . 10203 1 225 . 1 1 25 25 LYS C C 13 178.710 0.300 . 1 . . . . 25 LYS C . 10203 1 226 . 1 1 26 26 SER CA C 13 60.794 0.300 . 1 . . . . 26 SER CA . 10203 1 227 . 1 1 26 26 SER HA H 1 4.049 0.030 . 1 . . . . 26 SER HA . 10203 1 228 . 1 1 26 26 SER CB C 13 61.478 0.300 . 1 . . . . 26 SER CB . 10203 1 229 . 1 1 26 26 SER HB2 H 1 3.855 0.030 . 1 . . . . 26 SER HB2 . 10203 1 230 . 1 1 26 26 SER HB3 H 1 3.855 0.030 . 1 . . . . 26 SER HB3 . 10203 1 231 . 1 1 26 26 SER C C 13 177.149 0.300 . 1 . . . . 26 SER C . 10203 1 232 . 1 1 27 27 THR N N 15 118.548 0.300 . 1 . . . . 27 THR N . 10203 1 233 . 1 1 27 27 THR H H 1 7.008 0.030 . 1 . . . . 27 THR H . 10203 1 234 . 1 1 27 27 THR CA C 13 65.197 0.300 . 1 . . . . 27 THR CA . 10203 1 235 . 1 1 27 27 THR HA H 1 3.907 0.030 . 1 . . . . 27 THR HA . 10203 1 236 . 1 1 27 27 THR CB C 13 67.801 0.300 . 1 . . . . 27 THR CB . 10203 1 237 . 1 1 27 27 THR HB H 1 4.176 0.030 . 1 . . . . 27 THR HB . 10203 1 238 . 1 1 27 27 THR CG2 C 13 24.200 0.300 . 1 . . . . 27 THR CG2 . 10203 1 239 . 1 1 27 27 THR HG21 H 1 1.309 0.030 . 1 . . . . 27 THR HG2 . 10203 1 240 . 1 1 27 27 THR HG22 H 1 1.309 0.030 . 1 . . . . 27 THR HG2 . 10203 1 241 . 1 1 27 27 THR HG23 H 1 1.309 0.030 . 1 . . . . 27 THR HG2 . 10203 1 242 . 1 1 27 27 THR C C 13 176.751 0.300 . 1 . . . . 27 THR C . 10203 1 243 . 1 1 28 28 LEU N N 15 123.662 0.300 . 1 . . . . 28 LEU N . 10203 1 244 . 1 1 28 28 LEU H H 1 7.093 0.030 . 1 . . . . 28 LEU H . 10203 1 245 . 1 1 28 28 LEU CA C 13 58.213 0.300 . 1 . . . . 28 LEU CA . 10203 1 246 . 1 1 28 28 LEU HA H 1 3.176 0.030 . 1 . . . . 28 LEU HA . 10203 1 247 . 1 1 28 28 LEU CB C 13 39.863 0.300 . 1 . . . . 28 LEU CB . 10203 1 248 . 1 1 28 28 LEU HB2 H 1 1.972 0.030 . 2 . . . . 28 LEU HB2 . 10203 1 249 . 1 1 28 28 LEU HB3 H 1 1.241 0.030 . 2 . . . . 28 LEU HB3 . 10203 1 250 . 1 1 28 28 LEU CG C 13 27.532 0.300 . 1 . . . . 28 LEU CG . 10203 1 251 . 1 1 28 28 LEU HG H 1 1.462 0.030 . 1 . . . . 28 LEU HG . 10203 1 252 . 1 1 28 28 LEU CD1 C 13 26.645 0.300 . 2 . . . . 28 LEU CD1 . 10203 1 253 . 1 1 28 28 LEU HD11 H 1 0.944 0.030 . 1 . . . . 28 LEU HD1 . 10203 1 254 . 1 1 28 28 LEU HD12 H 1 0.944 0.030 . 1 . . . . 28 LEU HD1 . 10203 1 255 . 1 1 28 28 LEU HD13 H 1 0.944 0.030 . 1 . . . . 28 LEU HD1 . 10203 1 256 . 1 1 28 28 LEU CD2 C 13 22.887 0.300 . 2 . . . . 28 LEU CD2 . 10203 1 257 . 1 1 28 28 LEU HD21 H 1 0.993 0.030 . 1 . . . . 28 LEU HD2 . 10203 1 258 . 1 1 28 28 LEU HD22 H 1 0.993 0.030 . 1 . . . . 28 LEU HD2 . 10203 1 259 . 1 1 28 28 LEU HD23 H 1 0.993 0.030 . 1 . . . . 28 LEU HD2 . 10203 1 260 . 1 1 28 28 LEU C C 13 177.749 0.300 . 1 . . . . 28 LEU C . 10203 1 261 . 1 1 29 29 SER N N 15 114.674 0.300 . 1 . . . . 29 SER N . 10203 1 262 . 1 1 29 29 SER H H 1 8.358 0.030 . 1 . . . . 29 SER H . 10203 1 263 . 1 1 29 29 SER CA C 13 61.767 0.300 . 1 . . . . 29 SER CA . 10203 1 264 . 1 1 29 29 SER HA H 1 4.257 0.030 . 1 . . . . 29 SER HA . 10203 1 265 . 1 1 29 29 SER CB C 13 62.473 0.300 . 1 . . . . 29 SER CB . 10203 1 266 . 1 1 29 29 SER HB2 H 1 4.262 0.030 . 2 . . . . 29 SER HB2 . 10203 1 267 . 1 1 29 29 SER HB3 H 1 3.887 0.030 . 2 . . . . 29 SER HB3 . 10203 1 268 . 1 1 29 29 SER C C 13 177.197 0.300 . 1 . . . . 29 SER C . 10203 1 269 . 1 1 30 30 MET N N 15 119.515 0.300 . 1 . . . . 30 MET N . 10203 1 270 . 1 1 30 30 MET H H 1 7.554 0.030 . 1 . . . . 30 MET H . 10203 1 271 . 1 1 30 30 MET CA C 13 58.170 0.300 . 1 . . . . 30 MET CA . 10203 1 272 . 1 1 30 30 MET HA H 1 4.152 0.030 . 1 . . . . 30 MET HA . 10203 1 273 . 1 1 30 30 MET CB C 13 31.955 0.300 . 1 . . . . 30 MET CB . 10203 1 274 . 1 1 30 30 MET HB2 H 1 2.572 0.030 . 2 . . . . 30 MET HB2 . 10203 1 275 . 1 1 30 30 MET HB3 H 1 2.640 0.030 . 2 . . . . 30 MET HB3 . 10203 1 276 . 1 1 30 30 MET CG C 13 32.238 0.300 . 1 . . . . 30 MET CG . 10203 1 277 . 1 1 30 30 MET HG2 H 1 2.095 0.030 . 1 . . . . 30 MET HG2 . 10203 1 278 . 1 1 30 30 MET HG3 H 1 2.095 0.030 . 1 . . . . 30 MET HG3 . 10203 1 279 . 1 1 30 30 MET CE C 13 16.918 0.300 . 1 . . . . 30 MET CE . 10203 1 280 . 1 1 30 30 MET HE1 H 1 2.045 0.030 . 1 . . . . 30 MET HE . 10203 1 281 . 1 1 30 30 MET HE2 H 1 2.045 0.030 . 1 . . . . 30 MET HE . 10203 1 282 . 1 1 30 30 MET HE3 H 1 2.045 0.030 . 1 . . . . 30 MET HE . 10203 1 283 . 1 1 30 30 MET C C 13 178.556 0.300 . 1 . . . . 30 MET C . 10203 1 284 . 1 1 31 31 HIS N N 15 120.563 0.300 . 1 . . . . 31 HIS N . 10203 1 285 . 1 1 31 31 HIS H H 1 7.889 0.030 . 1 . . . . 31 HIS H . 10203 1 286 . 1 1 31 31 HIS CA C 13 59.232 0.300 . 1 . . . . 31 HIS CA . 10203 1 287 . 1 1 31 31 HIS HA H 1 4.172 0.030 . 1 . . . . 31 HIS HA . 10203 1 288 . 1 1 31 31 HIS CB C 13 28.113 0.300 . 1 . . . . 31 HIS CB . 10203 1 289 . 1 1 31 31 HIS HB2 H 1 2.894 0.030 . 2 . . . . 31 HIS HB2 . 10203 1 290 . 1 1 31 31 HIS HB3 H 1 3.199 0.030 . 2 . . . . 31 HIS HB3 . 10203 1 291 . 1 1 31 31 HIS CD2 C 13 127.224 0.300 . 1 . . . . 31 HIS CD2 . 10203 1 292 . 1 1 31 31 HIS HD2 H 1 6.938 0.030 . 1 . . . . 31 HIS HD2 . 10203 1 293 . 1 1 31 31 HIS CE1 C 13 139.538 0.300 . 1 . . . . 31 HIS CE1 . 10203 1 294 . 1 1 31 31 HIS HE1 H 1 8.017 0.030 . 1 . . . . 31 HIS HE1 . 10203 1 295 . 1 1 31 31 HIS C C 13 176.443 0.300 . 1 . . . . 31 HIS C . 10203 1 296 . 1 1 32 32 GLN N N 15 115.497 0.300 . 1 . . . . 32 GLN N . 10203 1 297 . 1 1 32 32 GLN H H 1 8.418 0.030 . 1 . . . . 32 GLN H . 10203 1 298 . 1 1 32 32 GLN CA C 13 59.471 0.300 . 1 . . . . 32 GLN CA . 10203 1 299 . 1 1 32 32 GLN HA H 1 3.685 0.030 . 1 . . . . 32 GLN HA . 10203 1 300 . 1 1 32 32 GLN CB C 13 28.425 0.300 . 1 . . . . 32 GLN CB . 10203 1 301 . 1 1 32 32 GLN HB2 H 1 2.326 0.030 . 2 . . . . 32 GLN HB2 . 10203 1 302 . 1 1 32 32 GLN HB3 H 1 2.175 0.030 . 2 . . . . 32 GLN HB3 . 10203 1 303 . 1 1 32 32 GLN CG C 13 35.531 0.300 . 1 . . . . 32 GLN CG . 10203 1 304 . 1 1 32 32 GLN HG2 H 1 2.827 0.030 . 1 . . . . 32 GLN HG2 . 10203 1 305 . 1 1 32 32 GLN HG3 H 1 2.827 0.030 . 1 . . . . 32 GLN HG3 . 10203 1 306 . 1 1 32 32 GLN NE2 N 15 112.840 0.300 . 1 . . . . 32 GLN NE2 . 10203 1 307 . 1 1 32 32 GLN HE21 H 1 7.065 0.030 . 2 . . . . 32 GLN HE21 . 10203 1 308 . 1 1 32 32 GLN HE22 H 1 7.745 0.030 . 2 . . . . 32 GLN HE22 . 10203 1 309 . 1 1 32 32 GLN C C 13 177.567 0.300 . 1 . . . . 32 GLN C . 10203 1 310 . 1 1 33 33 ARG N N 15 117.423 0.300 . 1 . . . . 33 ARG N . 10203 1 311 . 1 1 33 33 ARG H H 1 7.210 0.030 . 1 . . . . 33 ARG H . 10203 1 312 . 1 1 33 33 ARG CA C 13 59.089 0.300 . 1 . . . . 33 ARG CA . 10203 1 313 . 1 1 33 33 ARG HA H 1 3.923 0.030 . 1 . . . . 33 ARG HA . 10203 1 314 . 1 1 33 33 ARG CB C 13 30.078 0.300 . 1 . . . . 33 ARG CB . 10203 1 315 . 1 1 33 33 ARG HB2 H 1 1.826 0.030 . 2 . . . . 33 ARG HB2 . 10203 1 316 . 1 1 33 33 ARG HB3 H 1 1.872 0.030 . 2 . . . . 33 ARG HB3 . 10203 1 317 . 1 1 33 33 ARG CG C 13 27.472 0.300 . 1 . . . . 33 ARG CG . 10203 1 318 . 1 1 33 33 ARG HG2 H 1 1.671 0.030 . 2 . . . . 33 ARG HG2 . 10203 1 319 . 1 1 33 33 ARG HG3 H 1 1.876 0.030 . 2 . . . . 33 ARG HG3 . 10203 1 320 . 1 1 33 33 ARG CD C 13 43.624 0.300 . 1 . . . . 33 ARG CD . 10203 1 321 . 1 1 33 33 ARG HD2 H 1 3.212 0.030 . 2 . . . . 33 ARG HD2 . 10203 1 322 . 1 1 33 33 ARG C C 13 178.760 0.300 . 1 . . . . 33 ARG C . 10203 1 323 . 1 1 34 34 ILE N N 15 116.545 0.300 . 1 . . . . 34 ILE N . 10203 1 324 . 1 1 34 34 ILE H H 1 7.752 0.030 . 1 . . . . 34 ILE H . 10203 1 325 . 1 1 34 34 ILE CA C 13 63.271 0.300 . 1 . . . . 34 ILE CA . 10203 1 326 . 1 1 34 34 ILE HA H 1 3.948 0.030 . 1 . . . . 34 ILE HA . 10203 1 327 . 1 1 34 34 ILE CB C 13 37.597 0.300 . 1 . . . . 34 ILE CB . 10203 1 328 . 1 1 34 34 ILE HB H 1 1.695 0.030 . 1 . . . . 34 ILE HB . 10203 1 329 . 1 1 34 34 ILE CG1 C 13 26.875 0.300 . 1 . . . . 34 ILE CG1 . 10203 1 330 . 1 1 34 34 ILE HG12 H 1 0.860 0.030 . 2 . . . . 34 ILE HG12 . 10203 1 331 . 1 1 34 34 ILE HG13 H 1 0.955 0.030 . 2 . . . . 34 ILE HG13 . 10203 1 332 . 1 1 34 34 ILE CG2 C 13 16.507 0.300 . 1 . . . . 34 ILE CG2 . 10203 1 333 . 1 1 34 34 ILE HG21 H 1 0.597 0.030 . 1 . . . . 34 ILE HG2 . 10203 1 334 . 1 1 34 34 ILE HG22 H 1 0.597 0.030 . 1 . . . . 34 ILE HG2 . 10203 1 335 . 1 1 34 34 ILE HG23 H 1 0.597 0.030 . 1 . . . . 34 ILE HG2 . 10203 1 336 . 1 1 34 34 ILE CD1 C 13 14.128 0.300 . 1 . . . . 34 ILE CD1 . 10203 1 337 . 1 1 34 34 ILE HD11 H 1 0.705 0.030 . 1 . . . . 34 ILE HD1 . 10203 1 338 . 1 1 34 34 ILE HD12 H 1 0.705 0.030 . 1 . . . . 34 ILE HD1 . 10203 1 339 . 1 1 34 34 ILE HD13 H 1 0.705 0.030 . 1 . . . . 34 ILE HD1 . 10203 1 340 . 1 1 34 34 ILE C C 13 177.960 0.300 . 1 . . . . 34 ILE C . 10203 1 341 . 1 1 35 35 HIS N N 15 117.514 0.300 . 1 . . . . 35 HIS N . 10203 1 342 . 1 1 35 35 HIS H H 1 7.073 0.030 . 1 . . . . 35 HIS H . 10203 1 343 . 1 1 35 35 HIS CA C 13 55.599 0.300 . 1 . . . . 35 HIS CA . 10203 1 344 . 1 1 35 35 HIS HA H 1 4.745 0.030 . 1 . . . . 35 HIS HA . 10203 1 345 . 1 1 35 35 HIS CB C 13 28.499 0.300 . 1 . . . . 35 HIS CB . 10203 1 346 . 1 1 35 35 HIS HB2 H 1 3.172 0.030 . 2 . . . . 35 HIS HB2 . 10203 1 347 . 1 1 35 35 HIS HB3 H 1 3.363 0.030 . 2 . . . . 35 HIS HB3 . 10203 1 348 . 1 1 35 35 HIS CD2 C 13 127.569 0.300 . 1 . . . . 35 HIS CD2 . 10203 1 349 . 1 1 35 35 HIS HD2 H 1 6.696 0.030 . 1 . . . . 35 HIS HD2 . 10203 1 350 . 1 1 35 35 HIS CE1 C 13 140.084 0.300 . 1 . . . . 35 HIS CE1 . 10203 1 351 . 1 1 35 35 HIS HE1 H 1 8.049 0.030 . 1 . . . . 35 HIS HE1 . 10203 1 352 . 1 1 35 35 HIS C C 13 175.514 0.300 . 1 . . . . 35 HIS C . 10203 1 353 . 1 1 36 36 ARG N N 15 118.480 0.300 . 1 . . . . 36 ARG N . 10203 1 354 . 1 1 36 36 ARG H H 1 7.543 0.030 . 1 . . . . 36 ARG H . 10203 1 355 . 1 1 36 36 ARG CA C 13 56.414 0.300 . 1 . . . . 36 ARG CA . 10203 1 356 . 1 1 36 36 ARG HA H 1 4.409 0.030 . 1 . . . . 36 ARG HA . 10203 1 357 . 1 1 36 36 ARG CB C 13 30.891 0.300 . 1 . . . . 36 ARG CB . 10203 1 358 . 1 1 36 36 ARG HB2 H 1 1.842 0.030 . 2 . . . . 36 ARG HB2 . 10203 1 359 . 1 1 36 36 ARG HB3 H 1 1.982 0.030 . 2 . . . . 36 ARG HB3 . 10203 1 360 . 1 1 36 36 ARG CG C 13 26.975 0.300 . 1 . . . . 36 ARG CG . 10203 1 361 . 1 1 36 36 ARG HG2 H 1 1.679 0.030 . 1 . . . . 36 ARG HG2 . 10203 1 362 . 1 1 36 36 ARG HG3 H 1 1.679 0.030 . 1 . . . . 36 ARG HG3 . 10203 1 363 . 1 1 36 36 ARG CD C 13 43.588 0.300 . 1 . . . . 36 ARG CD . 10203 1 364 . 1 1 36 36 ARG HD2 H 1 3.211 0.030 . 1 . . . . 36 ARG HD2 . 10203 1 365 . 1 1 36 36 ARG HD3 H 1 3.211 0.030 . 1 . . . . 36 ARG HD3 . 10203 1 366 . 1 1 36 36 ARG C C 13 176.661 0.300 . 1 . . . . 36 ARG C . 10203 1 367 . 1 1 37 37 GLY N N 15 108.655 0.300 . 1 . . . . 37 GLY N . 10203 1 368 . 1 1 37 37 GLY H H 1 8.122 0.030 . 1 . . . . 37 GLY H . 10203 1 369 . 1 1 37 37 GLY CA C 13 45.393 0.300 . 1 . . . . 37 GLY CA . 10203 1 370 . 1 1 37 37 GLY HA2 H 1 3.969 0.030 . 1 . . . . 37 GLY HA2 . 10203 1 371 . 1 1 37 37 GLY HA3 H 1 3.969 0.030 . 1 . . . . 37 GLY HA3 . 10203 1 372 . 1 1 37 37 GLY C C 13 174.101 0.300 . 1 . . . . 37 GLY C . 10203 1 373 . 1 1 38 38 GLU N N 15 120.249 0.300 . 1 . . . . 38 GLU N . 10203 1 374 . 1 1 38 38 GLU H H 1 8.035 0.030 . 1 . . . . 38 GLU H . 10203 1 375 . 1 1 38 38 GLU CA C 13 56.257 0.300 . 1 . . . . 38 GLU CA . 10203 1 376 . 1 1 38 38 GLU HA H 1 4.280 0.030 . 1 . . . . 38 GLU HA . 10203 1 377 . 1 1 38 38 GLU CB C 13 30.620 0.300 . 1 . . . . 38 GLU CB . 10203 1 378 . 1 1 38 38 GLU HB2 H 1 2.003 0.030 . 2 . . . . 38 GLU HB2 . 10203 1 379 . 1 1 38 38 GLU HB3 H 1 1.890 0.030 . 2 . . . . 38 GLU HB3 . 10203 1 380 . 1 1 38 38 GLU CG C 13 36.271 0.300 . 1 . . . . 38 GLU CG . 10203 1 381 . 1 1 38 38 GLU HG2 H 1 2.225 0.030 . 1 . . . . 38 GLU HG2 . 10203 1 382 . 1 1 38 38 GLU HG3 H 1 2.225 0.030 . 1 . . . . 38 GLU HG3 . 10203 1 383 . 1 1 38 38 GLU C C 13 176.208 0.300 . 1 . . . . 38 GLU C . 10203 1 384 . 1 1 39 39 LYS N N 15 123.351 0.300 . 1 . . . . 39 LYS N . 10203 1 385 . 1 1 39 39 LYS H H 1 8.388 0.030 . 1 . . . . 39 LYS H . 10203 1 386 . 1 1 39 39 LYS CA C 13 54.120 0.300 . 1 . . . . 39 LYS CA . 10203 1 387 . 1 1 39 39 LYS HA H 1 4.601 0.030 . 1 . . . . 39 LYS HA . 10203 1 388 . 1 1 39 39 LYS CB C 13 32.529 0.300 . 1 . . . . 39 LYS CB . 10203 1 389 . 1 1 39 39 LYS HB2 H 1 1.732 0.030 . 2 . . . . 39 LYS HB2 . 10203 1 390 . 1 1 39 39 LYS HB3 H 1 1.817 0.030 . 2 . . . . 39 LYS HB3 . 10203 1 391 . 1 1 39 39 LYS CG C 13 24.518 0.300 . 1 . . . . 39 LYS CG . 10203 1 392 . 1 1 39 39 LYS HG2 H 1 1.460 0.030 . 1 . . . . 39 LYS HG2 . 10203 1 393 . 1 1 39 39 LYS HG3 H 1 1.460 0.030 . 1 . . . . 39 LYS HG3 . 10203 1 394 . 1 1 39 39 LYS CD C 13 29.181 0.300 . 1 . . . . 39 LYS CD . 10203 1 395 . 1 1 39 39 LYS HD2 H 1 1.681 0.030 . 1 . . . . 39 LYS HD2 . 10203 1 396 . 1 1 39 39 LYS HD3 H 1 1.681 0.030 . 1 . . . . 39 LYS HD3 . 10203 1 397 . 1 1 39 39 LYS CE C 13 42.184 0.300 . 1 . . . . 39 LYS CE . 10203 1 398 . 1 1 39 39 LYS HE2 H 1 2.985 0.030 . 1 . . . . 39 LYS HE2 . 10203 1 399 . 1 1 39 39 LYS HE3 H 1 2.985 0.030 . 1 . . . . 39 LYS HE3 . 10203 1 400 . 1 1 39 39 LYS C C 13 174.534 0.300 . 1 . . . . 39 LYS C . 10203 1 401 . 1 1 40 40 PRO CA C 13 63.272 0.300 . 1 . . . . 40 PRO CA . 10203 1 402 . 1 1 40 40 PRO HA H 1 4.457 0.030 . 1 . . . . 40 PRO HA . 10203 1 403 . 1 1 40 40 PRO CB C 13 32.172 0.300 . 1 . . . . 40 PRO CB . 10203 1 404 . 1 1 40 40 PRO HB2 H 1 1.941 0.030 . 2 . . . . 40 PRO HB2 . 10203 1 405 . 1 1 40 40 PRO HB3 H 1 2.300 0.030 . 2 . . . . 40 PRO HB3 . 10203 1 406 . 1 1 40 40 PRO CG C 13 27.415 0.300 . 1 . . . . 40 PRO CG . 10203 1 407 . 1 1 40 40 PRO HG2 H 1 1.997 0.030 . 2 . . . . 40 PRO HG2 . 10203 1 408 . 1 1 40 40 PRO HG3 H 1 2.035 0.030 . 2 . . . . 40 PRO HG3 . 10203 1 409 . 1 1 40 40 PRO CD C 13 50.666 0.300 . 1 . . . . 40 PRO CD . 10203 1 410 . 1 1 40 40 PRO HD2 H 1 3.812 0.030 . 2 . . . . 40 PRO HD2 . 10203 1 411 . 1 1 40 40 PRO HD3 H 1 3.646 0.030 . 2 . . . . 40 PRO HD3 . 10203 1 412 . 1 1 40 40 PRO C C 13 176.936 0.300 . 1 . . . . 40 PRO C . 10203 1 413 . 1 1 41 41 SER N N 15 116.372 0.300 . 1 . . . . 41 SER N . 10203 1 414 . 1 1 41 41 SER H H 1 8.453 0.030 . 1 . . . . 41 SER H . 10203 1 415 . 1 1 41 41 SER CA C 13 58.319 0.300 . 1 . . . . 41 SER CA . 10203 1 416 . 1 1 41 41 SER HA H 1 4.479 0.030 . 1 . . . . 41 SER HA . 10203 1 417 . 1 1 41 41 SER CB C 13 63.968 0.300 . 1 . . . . 41 SER CB . 10203 1 418 . 1 1 41 41 SER HB2 H 1 3.888 0.030 . 2 . . . . 41 SER HB2 . 10203 1 419 . 1 1 41 41 SER C C 13 174.592 0.300 . 1 . . . . 41 SER C . 10203 1 420 . 1 1 42 42 GLY CA C 13 44.667 0.300 . 1 . . . . 42 GLY CA . 10203 1 421 . 1 1 42 42 GLY HA2 H 1 4.124 0.030 . 1 . . . . 42 GLY HA2 . 10203 1 422 . 1 1 42 42 GLY HA3 H 1 4.124 0.030 . 1 . . . . 42 GLY HA3 . 10203 1 423 . 1 1 43 43 PRO CA C 13 63.273 0.300 . 1 . . . . 43 PRO CA . 10203 1 424 . 1 1 43 43 PRO HA H 1 4.461 0.030 . 1 . . . . 43 PRO HA . 10203 1 425 . 1 1 43 43 PRO CB C 13 32.217 0.300 . 1 . . . . 43 PRO CB . 10203 1 426 . 1 1 43 43 PRO HB2 H 1 2.276 0.030 . 2 . . . . 43 PRO HB2 . 10203 1 427 . 1 1 43 43 PRO HB3 H 1 1.970 0.030 . 2 . . . . 43 PRO HB3 . 10203 1 428 . 1 1 43 43 PRO CG C 13 27.177 0.300 . 1 . . . . 43 PRO CG . 10203 1 429 . 1 1 43 43 PRO HG2 H 1 2.012 0.030 . 1 . . . . 43 PRO HG2 . 10203 1 430 . 1 1 43 43 PRO HG3 H 1 2.012 0.030 . 1 . . . . 43 PRO HG3 . 10203 1 431 . 1 1 43 43 PRO CD C 13 49.795 0.300 . 1 . . . . 43 PRO CD . 10203 1 432 . 1 1 43 43 PRO HD2 H 1 3.618 0.030 . 1 . . . . 43 PRO HD2 . 10203 1 433 . 1 1 43 43 PRO HD3 H 1 3.618 0.030 . 1 . . . . 43 PRO HD3 . 10203 1 434 . 1 1 45 45 SER CA C 13 58.367 0.300 . 1 . . . . 45 SER CA . 10203 1 435 . 1 1 45 45 SER HA H 1 4.466 0.030 . 1 . . . . 45 SER HA . 10203 1 436 . 1 1 45 45 SER CB C 13 63.999 0.300 . 1 . . . . 45 SER CB . 10203 1 437 . 1 1 45 45 SER HB2 H 1 3.887 0.030 . 1 . . . . 45 SER HB2 . 10203 1 438 . 1 1 45 45 SER HB3 H 1 3.887 0.030 . 1 . . . . 45 SER HB3 . 10203 1 439 . 1 1 45 45 SER C C 13 173.901 0.300 . 1 . . . . 45 SER C . 10203 1 440 . 1 1 46 46 GLY N N 15 116.846 0.300 . 1 . . . . 46 GLY N . 10203 1 441 . 1 1 46 46 GLY H H 1 8.050 0.030 . 1 . . . . 46 GLY H . 10203 1 442 . 1 1 46 46 GLY CA C 13 46.202 0.300 . 1 . . . . 46 GLY CA . 10203 1 443 . 1 1 46 46 GLY HA2 H 1 3.744 0.030 . 2 . . . . 46 GLY HA2 . 10203 1 444 . 1 1 46 46 GLY HA3 H 1 3.790 0.030 . 2 . . . . 46 GLY HA3 . 10203 1 445 . 1 1 46 46 GLY C C 13 178.965 0.300 . 1 . . . . 46 GLY C . 10203 1 stop_ save_