################################### # 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 10153 _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 10153 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10153 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 7 7 GLY CA C 13 45.443 0.300 . 1 . . . . 7 GLY CA . 10153 1 2 . 1 1 7 7 GLY HA2 H 1 4.001 0.030 . 1 . . . . 7 GLY HA2 . 10153 1 3 . 1 1 7 7 GLY HA3 H 1 4.001 0.030 . 1 . . . . 7 GLY HA3 . 10153 1 4 . 1 1 7 7 GLY C C 13 174.517 0.300 . 1 . . . . 7 GLY C . 10153 1 5 . 1 1 8 8 THR N N 15 112.810 0.300 . 1 . . . . 8 THR N . 10153 1 6 . 1 1 8 8 THR H H 1 8.114 0.030 . 1 . . . . 8 THR H . 10153 1 7 . 1 1 8 8 THR CA C 13 61.946 0.300 . 1 . . . . 8 THR CA . 10153 1 8 . 1 1 8 8 THR HA H 1 4.359 0.030 . 1 . . . . 8 THR HA . 10153 1 9 . 1 1 8 8 THR CB C 13 69.788 0.300 . 1 . . . . 8 THR CB . 10153 1 10 . 1 1 8 8 THR HB H 1 4.283 0.030 . 1 . . . . 8 THR HB . 10153 1 11 . 1 1 8 8 THR CG2 C 13 21.474 0.300 . 1 . . . . 8 THR CG2 . 10153 1 12 . 1 1 8 8 THR HG21 H 1 1.188 0.030 . 1 . . . . 8 THR HG2 . 10153 1 13 . 1 1 8 8 THR HG22 H 1 1.188 0.030 . 1 . . . . 8 THR HG2 . 10153 1 14 . 1 1 8 8 THR HG23 H 1 1.188 0.030 . 1 . . . . 8 THR HG2 . 10153 1 15 . 1 1 8 8 THR C C 13 175.261 0.300 . 1 . . . . 8 THR C . 10153 1 16 . 1 1 9 9 GLY CA C 13 45.194 0.300 . 1 . . . . 9 GLY CA . 10153 1 17 . 1 1 9 9 GLY HA2 H 1 3.934 0.030 . 1 . . . . 9 GLY HA2 . 10153 1 18 . 1 1 9 9 GLY HA3 H 1 3.934 0.030 . 1 . . . . 9 GLY HA3 . 10153 1 19 . 1 1 10 10 GLU N N 15 120.417 0.300 . 1 . . . . 10 GLU N . 10153 1 20 . 1 1 10 10 GLU H H 1 8.163 0.030 . 1 . . . . 10 GLU H . 10153 1 21 . 1 1 10 10 GLU CA C 13 56.630 0.300 . 1 . . . . 10 GLU CA . 10153 1 22 . 1 1 10 10 GLU HA H 1 4.157 0.030 . 1 . . . . 10 GLU HA . 10153 1 23 . 1 1 10 10 GLU CB C 13 30.424 0.300 . 1 . . . . 10 GLU CB . 10153 1 24 . 1 1 10 10 GLU HB2 H 1 1.855 0.030 . 2 . . . . 10 GLU HB2 . 10153 1 25 . 1 1 10 10 GLU HB3 H 1 1.936 0.030 . 2 . . . . 10 GLU HB3 . 10153 1 26 . 1 1 10 10 GLU CG C 13 36.226 0.300 . 1 . . . . 10 GLU CG . 10153 1 27 . 1 1 10 10 GLU HG2 H 1 2.174 0.030 . 2 . . . . 10 GLU HG2 . 10153 1 28 . 1 1 10 10 GLU C C 13 176.283 0.300 . 1 . . . . 10 GLU C . 10153 1 29 . 1 1 11 11 LYS N N 15 122.818 0.300 . 1 . . . . 11 LYS N . 10153 1 30 . 1 1 11 11 LYS H H 1 8.319 0.030 . 1 . . . . 11 LYS H . 10153 1 31 . 1 1 11 11 LYS CA C 13 54.069 0.300 . 1 . . . . 11 LYS CA . 10153 1 32 . 1 1 11 11 LYS HA H 1 4.416 0.030 . 1 . . . . 11 LYS HA . 10153 1 33 . 1 1 11 11 LYS CB C 13 32.659 0.300 . 1 . . . . 11 LYS CB . 10153 1 34 . 1 1 11 11 LYS HB2 H 1 1.509 0.030 . 2 . . . . 11 LYS HB2 . 10153 1 35 . 1 1 11 11 LYS HB3 H 1 1.411 0.030 . 2 . . . . 11 LYS HB3 . 10153 1 36 . 1 1 11 11 LYS CG C 13 24.796 0.300 . 1 . . . . 11 LYS CG . 10153 1 37 . 1 1 11 11 LYS HG2 H 1 1.260 0.030 . 2 . . . . 11 LYS HG2 . 10153 1 38 . 1 1 11 11 LYS HG3 H 1 1.230 0.030 . 2 . . . . 11 LYS HG3 . 10153 1 39 . 1 1 11 11 LYS CD C 13 29.343 0.300 . 1 . . . . 11 LYS CD . 10153 1 40 . 1 1 11 11 LYS HD2 H 1 1.420 0.030 . 2 . . . . 11 LYS HD2 . 10153 1 41 . 1 1 11 11 LYS HD3 H 1 1.501 0.030 . 2 . . . . 11 LYS HD3 . 10153 1 42 . 1 1 11 11 LYS CE C 13 42.328 0.300 . 1 . . . . 11 LYS CE . 10153 1 43 . 1 1 11 11 LYS HE2 H 1 2.874 0.030 . 1 . . . . 11 LYS HE2 . 10153 1 44 . 1 1 11 11 LYS HE3 H 1 2.874 0.030 . 1 . . . . 11 LYS HE3 . 10153 1 45 . 1 1 11 11 LYS C C 13 174.368 0.300 . 1 . . . . 11 LYS C . 10153 1 46 . 1 1 12 12 PRO CA C 13 63.821 0.300 . 1 . . . . 12 PRO CA . 10153 1 47 . 1 1 12 12 PRO HA H 1 4.190 0.030 . 1 . . . . 12 PRO HA . 10153 1 48 . 1 1 12 12 PRO CB C 13 32.246 0.300 . 1 . . . . 12 PRO CB . 10153 1 49 . 1 1 12 12 PRO HB2 H 1 1.108 0.030 . 2 . . . . 12 PRO HB2 . 10153 1 50 . 1 1 12 12 PRO HB3 H 1 1.993 0.030 . 2 . . . . 12 PRO HB3 . 10153 1 51 . 1 1 12 12 PRO CG C 13 26.782 0.300 . 1 . . . . 12 PRO CG . 10153 1 52 . 1 1 12 12 PRO HG2 H 1 1.607 0.030 . 2 . . . . 12 PRO HG2 . 10153 1 53 . 1 1 12 12 PRO HG3 H 1 1.775 0.030 . 2 . . . . 12 PRO HG3 . 10153 1 54 . 1 1 12 12 PRO CD C 13 50.487 0.300 . 1 . . . . 12 PRO CD . 10153 1 55 . 1 1 12 12 PRO HD2 H 1 3.592 0.030 . 1 . . . . 12 PRO HD2 . 10153 1 56 . 1 1 12 12 PRO HD3 H 1 3.592 0.030 . 1 . . . . 12 PRO HD3 . 10153 1 57 . 1 1 12 12 PRO C C 13 176.504 0.300 . 1 . . . . 12 PRO C . 10153 1 58 . 1 1 13 13 TYR N N 15 117.532 0.300 . 1 . . . . 13 TYR N . 10153 1 59 . 1 1 13 13 TYR H H 1 7.808 0.030 . 1 . . . . 13 TYR H . 10153 1 60 . 1 1 13 13 TYR CA C 13 57.460 0.300 . 1 . . . . 13 TYR CA . 10153 1 61 . 1 1 13 13 TYR HA H 1 4.723 0.030 . 1 . . . . 13 TYR HA . 10153 1 62 . 1 1 13 13 TYR CB C 13 38.681 0.300 . 1 . . . . 13 TYR CB . 10153 1 63 . 1 1 13 13 TYR HB2 H 1 2.813 0.030 . 2 . . . . 13 TYR HB2 . 10153 1 64 . 1 1 13 13 TYR HB3 H 1 3.038 0.030 . 2 . . . . 13 TYR HB3 . 10153 1 65 . 1 1 13 13 TYR CD1 C 13 133.265 0.300 . 1 . . . . 13 TYR CD1 . 10153 1 66 . 1 1 13 13 TYR HD1 H 1 7.025 0.030 . 1 . . . . 13 TYR HD1 . 10153 1 67 . 1 1 13 13 TYR CD2 C 13 133.265 0.300 . 1 . . . . 13 TYR CD2 . 10153 1 68 . 1 1 13 13 TYR HD2 H 1 7.025 0.030 . 1 . . . . 13 TYR HD2 . 10153 1 69 . 1 1 13 13 TYR CE1 C 13 118.545 0.300 . 1 . . . . 13 TYR CE1 . 10153 1 70 . 1 1 13 13 TYR HE1 H 1 6.940 0.030 . 1 . . . . 13 TYR HE1 . 10153 1 71 . 1 1 13 13 TYR CE2 C 13 118.545 0.300 . 1 . . . . 13 TYR CE2 . 10153 1 72 . 1 1 13 13 TYR HE2 H 1 6.940 0.030 . 1 . . . . 13 TYR HE2 . 10153 1 73 . 1 1 13 13 TYR C C 13 174.392 0.300 . 1 . . . . 13 TYR C . 10153 1 74 . 1 1 14 14 LYS N N 15 125.155 0.300 . 1 . . . . 14 LYS N . 10153 1 75 . 1 1 14 14 LYS H H 1 8.658 0.030 . 1 . . . . 14 LYS H . 10153 1 76 . 1 1 14 14 LYS CA C 13 55.182 0.300 . 1 . . . . 14 LYS CA . 10153 1 77 . 1 1 14 14 LYS HA H 1 4.897 0.030 . 1 . . . . 14 LYS HA . 10153 1 78 . 1 1 14 14 LYS CB C 13 35.362 0.300 . 1 . . . . 14 LYS CB . 10153 1 79 . 1 1 14 14 LYS HB2 H 1 1.666 0.030 . 2 . . . . 14 LYS HB2 . 10153 1 80 . 1 1 14 14 LYS HB3 H 1 1.613 0.030 . 2 . . . . 14 LYS HB3 . 10153 1 81 . 1 1 14 14 LYS CG C 13 24.667 0.300 . 1 . . . . 14 LYS CG . 10153 1 82 . 1 1 14 14 LYS HG2 H 1 1.193 0.030 . 1 . . . . 14 LYS HG2 . 10153 1 83 . 1 1 14 14 LYS HG3 H 1 1.193 0.030 . 1 . . . . 14 LYS HG3 . 10153 1 84 . 1 1 14 14 LYS CD C 13 29.308 0.300 . 1 . . . . 14 LYS CD . 10153 1 85 . 1 1 14 14 LYS HD2 H 1 1.590 0.030 . 1 . . . . 14 LYS HD2 . 10153 1 86 . 1 1 14 14 LYS HD3 H 1 1.590 0.030 . 1 . . . . 14 LYS HD3 . 10153 1 87 . 1 1 14 14 LYS CE C 13 42.006 0.300 . 1 . . . . 14 LYS CE . 10153 1 88 . 1 1 14 14 LYS HE2 H 1 2.938 0.030 . 1 . . . . 14 LYS HE2 . 10153 1 89 . 1 1 14 14 LYS HE3 H 1 2.938 0.030 . 1 . . . . 14 LYS HE3 . 10153 1 90 . 1 1 14 14 LYS C C 13 175.434 0.300 . 1 . . . . 14 LYS C . 10153 1 91 . 1 1 15 15 CYS N N 15 127.487 0.300 . 1 . . . . 15 CYS N . 10153 1 92 . 1 1 15 15 CYS H H 1 9.257 0.030 . 1 . . . . 15 CYS H . 10153 1 93 . 1 1 15 15 CYS CA C 13 59.645 0.300 . 1 . . . . 15 CYS CA . 10153 1 94 . 1 1 15 15 CYS HA H 1 4.552 0.030 . 1 . . . . 15 CYS HA . 10153 1 95 . 1 1 15 15 CYS CB C 13 29.714 0.300 . 1 . . . . 15 CYS CB . 10153 1 96 . 1 1 15 15 CYS HB2 H 1 2.899 0.030 . 2 . . . . 15 CYS HB2 . 10153 1 97 . 1 1 15 15 CYS HB3 H 1 3.447 0.030 . 2 . . . . 15 CYS HB3 . 10153 1 98 . 1 1 15 15 CYS C C 13 177.361 0.300 . 1 . . . . 15 CYS C . 10153 1 99 . 1 1 16 16 SER CA C 13 61.056 0.300 . 1 . . . . 16 SER CA . 10153 1 100 . 1 1 16 16 SER HA H 1 4.265 0.030 . 1 . . . . 16 SER HA . 10153 1 101 . 1 1 16 16 SER CB C 13 63.129 0.300 . 1 . . . . 16 SER CB . 10153 1 102 . 1 1 16 16 SER HB2 H 1 4.032 0.030 . 2 . . . . 16 SER HB2 . 10153 1 103 . 1 1 16 16 SER HB3 H 1 3.977 0.030 . 2 . . . . 16 SER HB3 . 10153 1 104 . 1 1 16 16 SER C C 13 174.425 0.300 . 1 . . . . 16 SER C . 10153 1 105 . 1 1 17 17 ASP N N 15 122.836 0.300 . 1 . . . . 17 ASP N . 10153 1 106 . 1 1 17 17 ASP H H 1 8.675 0.030 . 1 . . . . 17 ASP H . 10153 1 107 . 1 1 17 17 ASP CA C 13 56.882 0.300 . 1 . . . . 17 ASP CA . 10153 1 108 . 1 1 17 17 ASP HA H 1 4.573 0.030 . 1 . . . . 17 ASP HA . 10153 1 109 . 1 1 17 17 ASP CB C 13 41.393 0.300 . 1 . . . . 17 ASP CB . 10153 1 110 . 1 1 17 17 ASP HB2 H 1 1.848 0.030 . 2 . . . . 17 ASP HB2 . 10153 1 111 . 1 1 17 17 ASP HB3 H 1 1.745 0.030 . 2 . . . . 17 ASP HB3 . 10153 1 112 . 1 1 17 17 ASP C C 13 176.693 0.300 . 1 . . . . 17 ASP C . 10153 1 113 . 1 1 18 18 CYS N N 15 114.845 0.300 . 1 . . . . 18 CYS N . 10153 1 114 . 1 1 18 18 CYS H H 1 7.871 0.030 . 1 . . . . 18 CYS H . 10153 1 115 . 1 1 18 18 CYS CA C 13 58.669 0.300 . 1 . . . . 18 CYS CA . 10153 1 116 . 1 1 18 18 CYS HA H 1 5.149 0.030 . 1 . . . . 18 CYS HA . 10153 1 117 . 1 1 18 18 CYS CB C 13 32.360 0.300 . 1 . . . . 18 CYS CB . 10153 1 118 . 1 1 18 18 CYS HB2 H 1 2.901 0.030 . 2 . . . . 18 CYS HB2 . 10153 1 119 . 1 1 18 18 CYS HB3 H 1 3.430 0.030 . 2 . . . . 18 CYS HB3 . 10153 1 120 . 1 1 18 18 CYS C C 13 176.087 0.300 . 1 . . . . 18 CYS C . 10153 1 121 . 1 1 19 19 GLY N N 15 112.703 0.300 . 1 . . . . 19 GLY N . 10153 1 122 . 1 1 19 19 GLY H H 1 8.234 0.030 . 1 . . . . 19 GLY H . 10153 1 123 . 1 1 19 19 GLY CA C 13 46.239 0.300 . 1 . . . . 19 GLY CA . 10153 1 124 . 1 1 19 19 GLY HA2 H 1 3.805 0.030 . 2 . . . . 19 GLY HA2 . 10153 1 125 . 1 1 19 19 GLY HA3 H 1 4.261 0.030 . 2 . . . . 19 GLY HA3 . 10153 1 126 . 1 1 19 19 GLY C C 13 173.775 0.300 . 1 . . . . 19 GLY C . 10153 1 127 . 1 1 20 20 LYS N N 15 123.389 0.300 . 1 . . . . 20 LYS N . 10153 1 128 . 1 1 20 20 LYS H H 1 8.104 0.030 . 1 . . . . 20 LYS H . 10153 1 129 . 1 1 20 20 LYS CA C 13 58.247 0.300 . 1 . . . . 20 LYS CA . 10153 1 130 . 1 1 20 20 LYS HA H 1 4.062 0.030 . 1 . . . . 20 LYS HA . 10153 1 131 . 1 1 20 20 LYS CB C 13 33.784 0.300 . 1 . . . . 20 LYS CB . 10153 1 132 . 1 1 20 20 LYS HB2 H 1 1.448 0.030 . 2 . . . . 20 LYS HB2 . 10153 1 133 . 1 1 20 20 LYS HB3 H 1 1.289 0.030 . 2 . . . . 20 LYS HB3 . 10153 1 134 . 1 1 20 20 LYS CG C 13 26.235 0.300 . 1 . . . . 20 LYS CG . 10153 1 135 . 1 1 20 20 LYS HG2 H 1 1.506 0.030 . 2 . . . . 20 LYS HG2 . 10153 1 136 . 1 1 20 20 LYS HG3 H 1 1.147 0.030 . 2 . . . . 20 LYS HG3 . 10153 1 137 . 1 1 20 20 LYS CD C 13 29.347 0.300 . 1 . . . . 20 LYS CD . 10153 1 138 . 1 1 20 20 LYS HD2 H 1 1.515 0.030 . 2 . . . . 20 LYS HD2 . 10153 1 139 . 1 1 20 20 LYS HD3 H 1 1.447 0.030 . 2 . . . . 20 LYS HD3 . 10153 1 140 . 1 1 20 20 LYS CE C 13 42.220 0.300 . 1 . . . . 20 LYS CE . 10153 1 141 . 1 1 20 20 LYS HE2 H 1 2.941 0.030 . 2 . . . . 20 LYS HE2 . 10153 1 142 . 1 1 20 20 LYS HE3 H 1 3.000 0.030 . 2 . . . . 20 LYS HE3 . 10153 1 143 . 1 1 20 20 LYS C C 13 174.521 0.300 . 1 . . . . 20 LYS C . 10153 1 144 . 1 1 21 21 SER N N 15 115.758 0.300 . 1 . . . . 21 SER N . 10153 1 145 . 1 1 21 21 SER H H 1 7.892 0.030 . 1 . . . . 21 SER H . 10153 1 146 . 1 1 21 21 SER CA C 13 57.156 0.300 . 1 . . . . 21 SER CA . 10153 1 147 . 1 1 21 21 SER HA H 1 5.346 0.030 . 1 . . . . 21 SER HA . 10153 1 148 . 1 1 21 21 SER CB C 13 65.985 0.300 . 1 . . . . 21 SER CB . 10153 1 149 . 1 1 21 21 SER HB2 H 1 3.595 0.030 . 1 . . . . 21 SER HB2 . 10153 1 150 . 1 1 21 21 SER HB3 H 1 3.595 0.030 . 1 . . . . 21 SER HB3 . 10153 1 151 . 1 1 21 21 SER C C 13 172.978 0.300 . 1 . . . . 21 SER C . 10153 1 152 . 1 1 22 22 PHE N N 15 117.880 0.300 . 1 . . . . 22 PHE N . 10153 1 153 . 1 1 22 22 PHE H H 1 8.858 0.030 . 1 . . . . 22 PHE H . 10153 1 154 . 1 1 22 22 PHE CA C 13 57.670 0.300 . 1 . . . . 22 PHE CA . 10153 1 155 . 1 1 22 22 PHE HA H 1 4.809 0.030 . 1 . . . . 22 PHE HA . 10153 1 156 . 1 1 22 22 PHE CB C 13 43.763 0.300 . 1 . . . . 22 PHE CB . 10153 1 157 . 1 1 22 22 PHE HB2 H 1 2.628 0.030 . 2 . . . . 22 PHE HB2 . 10153 1 158 . 1 1 22 22 PHE HB3 H 1 3.462 0.030 . 2 . . . . 22 PHE HB3 . 10153 1 159 . 1 1 22 22 PHE CD1 C 13 132.594 0.300 . 1 . . . . 22 PHE CD1 . 10153 1 160 . 1 1 22 22 PHE HD1 H 1 7.329 0.030 . 1 . . . . 22 PHE HD1 . 10153 1 161 . 1 1 22 22 PHE CD2 C 13 132.594 0.300 . 1 . . . . 22 PHE CD2 . 10153 1 162 . 1 1 22 22 PHE HD2 H 1 7.329 0.030 . 1 . . . . 22 PHE HD2 . 10153 1 163 . 1 1 22 22 PHE CE1 C 13 130.683 0.300 . 1 . . . . 22 PHE CE1 . 10153 1 164 . 1 1 22 22 PHE HE1 H 1 6.886 0.030 . 1 . . . . 22 PHE HE1 . 10153 1 165 . 1 1 22 22 PHE CE2 C 13 130.683 0.300 . 1 . . . . 22 PHE CE2 . 10153 1 166 . 1 1 22 22 PHE HE2 H 1 6.886 0.030 . 1 . . . . 22 PHE HE2 . 10153 1 167 . 1 1 22 22 PHE CZ C 13 128.941 0.300 . 1 . . . . 22 PHE CZ . 10153 1 168 . 1 1 22 22 PHE HZ H 1 6.309 0.030 . 1 . . . . 22 PHE HZ . 10153 1 169 . 1 1 22 22 PHE C C 13 175.046 0.300 . 1 . . . . 22 PHE C . 10153 1 170 . 1 1 23 23 THR N N 15 119.545 0.300 . 1 . . . . 23 THR N . 10153 1 171 . 1 1 23 23 THR H H 1 9.181 0.030 . 1 . . . . 23 THR H . 10153 1 172 . 1 1 23 23 THR CA C 13 65.464 0.300 . 1 . . . . 23 THR CA . 10153 1 173 . 1 1 23 23 THR HA H 1 4.093 0.030 . 1 . . . . 23 THR HA . 10153 1 174 . 1 1 23 23 THR CB C 13 69.486 0.300 . 1 . . . . 23 THR CB . 10153 1 175 . 1 1 23 23 THR HB H 1 3.722 0.030 . 1 . . . . 23 THR HB . 10153 1 176 . 1 1 23 23 THR CG2 C 13 21.770 0.300 . 1 . . . . 23 THR CG2 . 10153 1 177 . 1 1 23 23 THR HG21 H 1 0.606 0.030 . 1 . . . . 23 THR HG2 . 10153 1 178 . 1 1 23 23 THR HG22 H 1 0.606 0.030 . 1 . . . . 23 THR HG2 . 10153 1 179 . 1 1 23 23 THR HG23 H 1 0.606 0.030 . 1 . . . . 23 THR HG2 . 10153 1 180 . 1 1 23 23 THR C C 13 173.355 0.300 . 1 . . . . 23 THR C . 10153 1 181 . 1 1 24 24 TRP N N 15 117.211 0.300 . 1 . . . . 24 TRP N . 10153 1 182 . 1 1 24 24 TRP H H 1 7.379 0.030 . 1 . . . . 24 TRP H . 10153 1 183 . 1 1 24 24 TRP CA C 13 55.014 0.300 . 1 . . . . 24 TRP CA . 10153 1 184 . 1 1 24 24 TRP HA H 1 5.262 0.030 . 1 . . . . 24 TRP HA . 10153 1 185 . 1 1 24 24 TRP CB C 13 32.074 0.300 . 1 . . . . 24 TRP CB . 10153 1 186 . 1 1 24 24 TRP HB2 H 1 2.966 0.030 . 2 . . . . 24 TRP HB2 . 10153 1 187 . 1 1 24 24 TRP HB3 H 1 3.581 0.030 . 2 . . . . 24 TRP HB3 . 10153 1 188 . 1 1 24 24 TRP CD1 C 13 127.383 0.300 . 1 . . . . 24 TRP CD1 . 10153 1 189 . 1 1 24 24 TRP HD1 H 1 7.490 0.030 . 1 . . . . 24 TRP HD1 . 10153 1 190 . 1 1 24 24 TRP NE1 N 15 129.683 0.300 . 1 . . . . 24 TRP NE1 . 10153 1 191 . 1 1 24 24 TRP HE1 H 1 10.328 0.030 . 1 . . . . 24 TRP HE1 . 10153 1 192 . 1 1 24 24 TRP CE3 C 13 120.882 0.300 . 1 . . . . 24 TRP CE3 . 10153 1 193 . 1 1 24 24 TRP HE3 H 1 7.803 0.030 . 1 . . . . 24 TRP HE3 . 10153 1 194 . 1 1 24 24 TRP CZ2 C 13 114.909 0.300 . 1 . . . . 24 TRP CZ2 . 10153 1 195 . 1 1 24 24 TRP HZ2 H 1 7.562 0.030 . 1 . . . . 24 TRP HZ2 . 10153 1 196 . 1 1 24 24 TRP CZ3 C 13 122.011 0.300 . 1 . . . . 24 TRP CZ3 . 10153 1 197 . 1 1 24 24 TRP HZ3 H 1 7.265 0.030 . 1 . . . . 24 TRP HZ3 . 10153 1 198 . 1 1 24 24 TRP CH2 C 13 124.874 0.300 . 1 . . . . 24 TRP CH2 . 10153 1 199 . 1 1 24 24 TRP HH2 H 1 7.312 0.030 . 1 . . . . 24 TRP HH2 . 10153 1 200 . 1 1 24 24 TRP C C 13 176.715 0.300 . 1 . . . . 24 TRP C . 10153 1 201 . 1 1 25 25 LYS N N 15 128.489 0.300 . 1 . . . . 25 LYS N . 10153 1 202 . 1 1 25 25 LYS H H 1 8.898 0.030 . 1 . . . . 25 LYS H . 10153 1 203 . 1 1 25 25 LYS CA C 13 59.794 0.300 . 1 . . . . 25 LYS CA . 10153 1 204 . 1 1 25 25 LYS HA H 1 3.170 0.030 . 1 . . . . 25 LYS HA . 10153 1 205 . 1 1 25 25 LYS CB C 13 31.754 0.300 . 1 . . . . 25 LYS CB . 10153 1 206 . 1 1 25 25 LYS HB2 H 1 1.506 0.030 . 2 . . . . 25 LYS HB2 . 10153 1 207 . 1 1 25 25 LYS HB3 H 1 1.107 0.030 . 2 . . . . 25 LYS HB3 . 10153 1 208 . 1 1 25 25 LYS CG C 13 25.153 0.300 . 1 . . . . 25 LYS CG . 10153 1 209 . 1 1 25 25 LYS HG2 H 1 0.937 0.030 . 2 . . . . 25 LYS HG2 . 10153 1 210 . 1 1 25 25 LYS HG3 H 1 1.099 0.030 . 2 . . . . 25 LYS HG3 . 10153 1 211 . 1 1 25 25 LYS CD C 13 29.332 0.300 . 1 . . . . 25 LYS CD . 10153 1 212 . 1 1 25 25 LYS HD2 H 1 1.554 0.030 . 1 . . . . 25 LYS HD2 . 10153 1 213 . 1 1 25 25 LYS HD3 H 1 1.554 0.030 . 1 . . . . 25 LYS HD3 . 10153 1 214 . 1 1 25 25 LYS CE C 13 41.979 0.300 . 1 . . . . 25 LYS CE . 10153 1 215 . 1 1 25 25 LYS HE2 H 1 2.887 0.030 . 1 . . . . 25 LYS HE2 . 10153 1 216 . 1 1 25 25 LYS HE3 H 1 2.887 0.030 . 1 . . . . 25 LYS HE3 . 10153 1 217 . 1 1 25 25 LYS C C 13 178.478 0.300 . 1 . . . . 25 LYS C . 10153 1 218 . 1 1 26 26 SER CA C 13 60.740 0.300 . 1 . . . . 26 SER CA . 10153 1 219 . 1 1 26 26 SER HA H 1 4.015 0.030 . 1 . . . . 26 SER HA . 10153 1 220 . 1 1 26 26 SER CB C 13 61.524 0.300 . 1 . . . . 26 SER CB . 10153 1 221 . 1 1 26 26 SER HB2 H 1 3.917 0.030 . 2 . . . . 26 SER HB2 . 10153 1 222 . 1 1 26 26 SER HB3 H 1 3.849 0.030 . 2 . . . . 26 SER HB3 . 10153 1 223 . 1 1 26 26 SER C C 13 176.918 0.300 . 1 . . . . 26 SER C . 10153 1 224 . 1 1 27 27 ARG N N 15 120.638 0.300 . 1 . . . . 27 ARG N . 10153 1 225 . 1 1 27 27 ARG H H 1 6.893 0.030 . 1 . . . . 27 ARG H . 10153 1 226 . 1 1 27 27 ARG CA C 13 57.881 0.300 . 1 . . . . 27 ARG CA . 10153 1 227 . 1 1 27 27 ARG HA H 1 4.093 0.030 . 1 . . . . 27 ARG HA . 10153 1 228 . 1 1 27 27 ARG CB C 13 29.682 0.300 . 1 . . . . 27 ARG CB . 10153 1 229 . 1 1 27 27 ARG HB2 H 1 2.272 0.030 . 2 . . . . 27 ARG HB2 . 10153 1 230 . 1 1 27 27 ARG HB3 H 1 2.099 0.030 . 2 . . . . 27 ARG HB3 . 10153 1 231 . 1 1 27 27 ARG CG C 13 27.922 0.300 . 1 . . . . 27 ARG CG . 10153 1 232 . 1 1 27 27 ARG HG2 H 1 2.054 0.030 . 2 . . . . 27 ARG HG2 . 10153 1 233 . 1 1 27 27 ARG HG3 H 1 1.873 0.030 . 2 . . . . 27 ARG HG3 . 10153 1 234 . 1 1 27 27 ARG CD C 13 42.988 0.300 . 1 . . . . 27 ARG CD . 10153 1 235 . 1 1 27 27 ARG HD2 H 1 3.428 0.030 . 1 . . . . 27 ARG HD2 . 10153 1 236 . 1 1 27 27 ARG HD3 H 1 3.428 0.030 . 1 . . . . 27 ARG HD3 . 10153 1 237 . 1 1 27 27 ARG C C 13 178.625 0.300 . 1 . . . . 27 ARG C . 10153 1 238 . 1 1 28 28 LEU N N 15 122.539 0.300 . 1 . . . . 28 LEU N . 10153 1 239 . 1 1 28 28 LEU H H 1 7.143 0.030 . 1 . . . . 28 LEU H . 10153 1 240 . 1 1 28 28 LEU CA C 13 57.892 0.300 . 1 . . . . 28 LEU CA . 10153 1 241 . 1 1 28 28 LEU HA H 1 3.096 0.030 . 1 . . . . 28 LEU HA . 10153 1 242 . 1 1 28 28 LEU CB C 13 40.043 0.300 . 1 . . . . 28 LEU CB . 10153 1 243 . 1 1 28 28 LEU HB2 H 1 1.199 0.030 . 2 . . . . 28 LEU HB2 . 10153 1 244 . 1 1 28 28 LEU HB3 H 1 1.999 0.030 . 2 . . . . 28 LEU HB3 . 10153 1 245 . 1 1 28 28 LEU CG C 13 27.531 0.300 . 1 . . . . 28 LEU CG . 10153 1 246 . 1 1 28 28 LEU HG H 1 1.482 0.030 . 1 . . . . 28 LEU HG . 10153 1 247 . 1 1 28 28 LEU CD1 C 13 22.975 0.300 . 2 . . . . 28 LEU CD1 . 10153 1 248 . 1 1 28 28 LEU HD11 H 1 1.001 0.030 . 1 . . . . 28 LEU HD1 . 10153 1 249 . 1 1 28 28 LEU HD12 H 1 1.001 0.030 . 1 . . . . 28 LEU HD1 . 10153 1 250 . 1 1 28 28 LEU HD13 H 1 1.001 0.030 . 1 . . . . 28 LEU HD1 . 10153 1 251 . 1 1 28 28 LEU CD2 C 13 26.646 0.300 . 2 . . . . 28 LEU CD2 . 10153 1 252 . 1 1 28 28 LEU HD21 H 1 0.969 0.030 . 1 . . . . 28 LEU HD2 . 10153 1 253 . 1 1 28 28 LEU HD22 H 1 0.969 0.030 . 1 . . . . 28 LEU HD2 . 10153 1 254 . 1 1 28 28 LEU HD23 H 1 0.969 0.030 . 1 . . . . 28 LEU HD2 . 10153 1 255 . 1 1 28 28 LEU C C 13 177.418 0.300 . 1 . . . . 28 LEU C . 10153 1 256 . 1 1 29 29 ARG N N 15 117.943 0.300 . 1 . . . . 29 ARG N . 10153 1 257 . 1 1 29 29 ARG H H 1 8.015 0.030 . 1 . . . . 29 ARG H . 10153 1 258 . 1 1 29 29 ARG CA C 13 59.184 0.300 . 1 . . . . 29 ARG CA . 10153 1 259 . 1 1 29 29 ARG HA H 1 4.125 0.030 . 1 . . . . 29 ARG HA . 10153 1 260 . 1 1 29 29 ARG CB C 13 29.612 0.300 . 1 . . . . 29 ARG CB . 10153 1 261 . 1 1 29 29 ARG HB2 H 1 1.848 0.030 . 1 . . . . 29 ARG HB2 . 10153 1 262 . 1 1 29 29 ARG HB3 H 1 1.848 0.030 . 1 . . . . 29 ARG HB3 . 10153 1 263 . 1 1 29 29 ARG CG C 13 27.455 0.300 . 1 . . . . 29 ARG CG . 10153 1 264 . 1 1 29 29 ARG HG2 H 1 1.704 0.030 . 2 . . . . 29 ARG HG2 . 10153 1 265 . 1 1 29 29 ARG HG3 H 1 1.587 0.030 . 2 . . . . 29 ARG HG3 . 10153 1 266 . 1 1 29 29 ARG CD C 13 43.228 0.300 . 1 . . . . 29 ARG CD . 10153 1 267 . 1 1 29 29 ARG HD2 H 1 3.188 0.030 . 1 . . . . 29 ARG HD2 . 10153 1 268 . 1 1 29 29 ARG HD3 H 1 3.188 0.030 . 1 . . . . 29 ARG HD3 . 10153 1 269 . 1 1 29 29 ARG C C 13 179.325 0.300 . 1 . . . . 29 ARG C . 10153 1 270 . 1 1 30 30 ILE N N 15 118.338 0.300 . 1 . . . . 30 ILE N . 10153 1 271 . 1 1 30 30 ILE H H 1 7.320 0.030 . 1 . . . . 30 ILE H . 10153 1 272 . 1 1 30 30 ILE CA C 13 64.473 0.300 . 1 . . . . 30 ILE CA . 10153 1 273 . 1 1 30 30 ILE HA H 1 3.688 0.030 . 1 . . . . 30 ILE HA . 10153 1 274 . 1 1 30 30 ILE CB C 13 38.505 0.300 . 1 . . . . 30 ILE CB . 10153 1 275 . 1 1 30 30 ILE HB H 1 1.754 0.030 . 1 . . . . 30 ILE HB . 10153 1 276 . 1 1 30 30 ILE CG1 C 13 29.001 0.300 . 1 . . . . 30 ILE CG1 . 10153 1 277 . 1 1 30 30 ILE HG12 H 1 1.217 0.030 . 2 . . . . 30 ILE HG12 . 10153 1 278 . 1 1 30 30 ILE HG13 H 1 1.688 0.030 . 2 . . . . 30 ILE HG13 . 10153 1 279 . 1 1 30 30 ILE CG2 C 13 17.340 0.300 . 1 . . . . 30 ILE CG2 . 10153 1 280 . 1 1 30 30 ILE HG21 H 1 0.932 0.030 . 1 . . . . 30 ILE HG2 . 10153 1 281 . 1 1 30 30 ILE HG22 H 1 0.932 0.030 . 1 . . . . 30 ILE HG2 . 10153 1 282 . 1 1 30 30 ILE HG23 H 1 0.932 0.030 . 1 . . . . 30 ILE HG2 . 10153 1 283 . 1 1 30 30 ILE CD1 C 13 12.828 0.300 . 1 . . . . 30 ILE CD1 . 10153 1 284 . 1 1 30 30 ILE HD11 H 1 0.837 0.030 . 1 . . . . 30 ILE HD1 . 10153 1 285 . 1 1 30 30 ILE HD12 H 1 0.837 0.030 . 1 . . . . 30 ILE HD1 . 10153 1 286 . 1 1 30 30 ILE HD13 H 1 0.837 0.030 . 1 . . . . 30 ILE HD1 . 10153 1 287 . 1 1 30 30 ILE C C 13 178.655 0.300 . 1 . . . . 30 ILE C . 10153 1 288 . 1 1 31 31 HIS N N 15 120.313 0.300 . 1 . . . . 31 HIS N . 10153 1 289 . 1 1 31 31 HIS H H 1 7.695 0.030 . 1 . . . . 31 HIS H . 10153 1 290 . 1 1 31 31 HIS CA C 13 59.398 0.300 . 1 . . . . 31 HIS CA . 10153 1 291 . 1 1 31 31 HIS HA H 1 4.270 0.030 . 1 . . . . 31 HIS HA . 10153 1 292 . 1 1 31 31 HIS CB C 13 28.465 0.300 . 1 . . . . 31 HIS CB . 10153 1 293 . 1 1 31 31 HIS HB2 H 1 3.021 0.030 . 2 . . . . 31 HIS HB2 . 10153 1 294 . 1 1 31 31 HIS HB3 H 1 3.207 0.030 . 2 . . . . 31 HIS HB3 . 10153 1 295 . 1 1 31 31 HIS CD2 C 13 127.255 0.300 . 1 . . . . 31 HIS CD2 . 10153 1 296 . 1 1 31 31 HIS HD2 H 1 6.976 0.030 . 1 . . . . 31 HIS HD2 . 10153 1 297 . 1 1 31 31 HIS CE1 C 13 140.021 0.300 . 1 . . . . 31 HIS CE1 . 10153 1 298 . 1 1 31 31 HIS HE1 H 1 8.056 0.030 . 1 . . . . 31 HIS HE1 . 10153 1 299 . 1 1 31 31 HIS C C 13 177.067 0.300 . 1 . . . . 31 HIS C . 10153 1 300 . 1 1 32 32 GLN N N 15 116.561 0.300 . 1 . . . . 32 GLN N . 10153 1 301 . 1 1 32 32 GLN H H 1 8.559 0.030 . 1 . . . . 32 GLN H . 10153 1 302 . 1 1 32 32 GLN CA C 13 59.534 0.300 . 1 . . . . 32 GLN CA . 10153 1 303 . 1 1 32 32 GLN HA H 1 3.729 0.030 . 1 . . . . 32 GLN HA . 10153 1 304 . 1 1 32 32 GLN CB C 13 28.512 0.300 . 1 . . . . 32 GLN CB . 10153 1 305 . 1 1 32 32 GLN HB2 H 1 2.339 0.030 . 2 . . . . 32 GLN HB2 . 10153 1 306 . 1 1 32 32 GLN HB3 H 1 2.215 0.030 . 2 . . . . 32 GLN HB3 . 10153 1 307 . 1 1 32 32 GLN CG C 13 35.659 0.300 . 1 . . . . 32 GLN CG . 10153 1 308 . 1 1 32 32 GLN HG2 H 1 2.843 0.030 . 1 . . . . 32 GLN HG2 . 10153 1 309 . 1 1 32 32 GLN HG3 H 1 2.843 0.030 . 1 . . . . 32 GLN HG3 . 10153 1 310 . 1 1 32 32 GLN NE2 N 15 112.896 0.300 . 1 . . . . 32 GLN NE2 . 10153 1 311 . 1 1 32 32 GLN HE21 H 1 6.957 0.030 . 2 . . . . 32 GLN HE21 . 10153 1 312 . 1 1 32 32 GLN HE22 H 1 7.758 0.030 . 2 . . . . 32 GLN HE22 . 10153 1 313 . 1 1 32 32 GLN C C 13 177.525 0.300 . 1 . . . . 32 GLN C . 10153 1 314 . 1 1 33 33 LYS N N 15 118.421 0.300 . 1 . . . . 33 LYS N . 10153 1 315 . 1 1 33 33 LYS H H 1 7.242 0.030 . 1 . . . . 33 LYS H . 10153 1 316 . 1 1 33 33 LYS CA C 13 58.469 0.300 . 1 . . . . 33 LYS CA . 10153 1 317 . 1 1 33 33 LYS HA H 1 4.133 0.030 . 1 . . . . 33 LYS HA . 10153 1 318 . 1 1 33 33 LYS CB C 13 32.009 0.300 . 1 . . . . 33 LYS CB . 10153 1 319 . 1 1 33 33 LYS HB2 H 1 1.885 0.030 . 1 . . . . 33 LYS HB2 . 10153 1 320 . 1 1 33 33 LYS HB3 H 1 1.885 0.030 . 1 . . . . 33 LYS HB3 . 10153 1 321 . 1 1 33 33 LYS CG C 13 25.081 0.300 . 1 . . . . 33 LYS CG . 10153 1 322 . 1 1 33 33 LYS HG2 H 1 1.683 0.030 . 2 . . . . 33 LYS HG2 . 10153 1 323 . 1 1 33 33 LYS HG3 H 1 1.501 0.030 . 2 . . . . 33 LYS HG3 . 10153 1 324 . 1 1 33 33 LYS CD C 13 29.049 0.300 . 1 . . . . 33 LYS CD . 10153 1 325 . 1 1 33 33 LYS HD2 H 1 1.698 0.030 . 1 . . . . 33 LYS HD2 . 10153 1 326 . 1 1 33 33 LYS HD3 H 1 1.698 0.030 . 1 . . . . 33 LYS HD3 . 10153 1 327 . 1 1 33 33 LYS CE C 13 42.094 0.300 . 1 . . . . 33 LYS CE . 10153 1 328 . 1 1 33 33 LYS HE2 H 1 2.975 0.030 . 1 . . . . 33 LYS HE2 . 10153 1 329 . 1 1 33 33 LYS HE3 H 1 2.975 0.030 . 1 . . . . 33 LYS HE3 . 10153 1 330 . 1 1 33 33 LYS C C 13 178.287 0.300 . 1 . . . . 33 LYS C . 10153 1 331 . 1 1 34 34 CYS N N 15 115.499 0.300 . 1 . . . . 34 CYS N . 10153 1 332 . 1 1 34 34 CYS H H 1 7.930 0.030 . 1 . . . . 34 CYS H . 10153 1 333 . 1 1 34 34 CYS CA C 13 60.410 0.300 . 1 . . . . 34 CYS CA . 10153 1 334 . 1 1 34 34 CYS HA H 1 4.349 0.030 . 1 . . . . 34 CYS HA . 10153 1 335 . 1 1 34 34 CYS CB C 13 26.603 0.300 . 1 . . . . 34 CYS CB . 10153 1 336 . 1 1 34 34 CYS HB2 H 1 2.809 0.030 . 2 . . . . 34 CYS HB2 . 10153 1 337 . 1 1 34 34 CYS HB3 H 1 2.641 0.030 . 2 . . . . 34 CYS HB3 . 10153 1 338 . 1 1 34 34 CYS C C 13 175.397 0.300 . 1 . . . . 34 CYS C . 10153 1 339 . 1 1 35 35 HIS N N 15 119.063 0.300 . 1 . . . . 35 HIS N . 10153 1 340 . 1 1 35 35 HIS H H 1 7.391 0.030 . 1 . . . . 35 HIS H . 10153 1 341 . 1 1 35 35 HIS CA C 13 55.026 0.300 . 1 . . . . 35 HIS CA . 10153 1 342 . 1 1 35 35 HIS HA H 1 4.926 0.030 . 1 . . . . 35 HIS HA . 10153 1 343 . 1 1 35 35 HIS CB C 13 28.797 0.300 . 1 . . . . 35 HIS CB . 10153 1 344 . 1 1 35 35 HIS HB2 H 1 3.280 0.030 . 2 . . . . 35 HIS HB2 . 10153 1 345 . 1 1 35 35 HIS HB3 H 1 3.199 0.030 . 2 . . . . 35 HIS HB3 . 10153 1 346 . 1 1 35 35 HIS CD2 C 13 127.949 0.300 . 1 . . . . 35 HIS CD2 . 10153 1 347 . 1 1 35 35 HIS HD2 H 1 6.804 0.030 . 1 . . . . 35 HIS HD2 . 10153 1 348 . 1 1 35 35 HIS CE1 C 13 139.845 0.300 . 1 . . . . 35 HIS CE1 . 10153 1 349 . 1 1 35 35 HIS HE1 H 1 7.991 0.030 . 1 . . . . 35 HIS HE1 . 10153 1 350 . 1 1 35 35 HIS C C 13 175.409 0.300 . 1 . . . . 35 HIS C . 10153 1 351 . 1 1 36 36 THR N N 15 112.789 0.300 . 1 . . . . 36 THR N . 10153 1 352 . 1 1 36 36 THR H H 1 7.775 0.030 . 1 . . . . 36 THR H . 10153 1 353 . 1 1 36 36 THR CA C 13 62.596 0.300 . 1 . . . . 36 THR CA . 10153 1 354 . 1 1 36 36 THR HA H 1 4.358 0.030 . 1 . . . . 36 THR HA . 10153 1 355 . 1 1 36 36 THR CB C 13 69.874 0.300 . 1 . . . . 36 THR CB . 10153 1 356 . 1 1 36 36 THR HB H 1 4.318 0.030 . 1 . . . . 36 THR HB . 10153 1 357 . 1 1 36 36 THR CG2 C 13 21.590 0.300 . 1 . . . . 36 THR CG2 . 10153 1 358 . 1 1 36 36 THR HG21 H 1 1.251 0.030 . 1 . . . . 36 THR HG2 . 10153 1 359 . 1 1 36 36 THR HG22 H 1 1.251 0.030 . 1 . . . . 36 THR HG2 . 10153 1 360 . 1 1 36 36 THR HG23 H 1 1.251 0.030 . 1 . . . . 36 THR HG2 . 10153 1 361 . 1 1 36 36 THR C C 13 175.265 0.300 . 1 . . . . 36 THR C . 10153 1 362 . 1 1 37 37 GLY N N 15 110.969 0.300 . 1 . . . . 37 GLY N . 10153 1 363 . 1 1 37 37 GLY H H 1 8.409 0.030 . 1 . . . . 37 GLY H . 10153 1 364 . 1 1 37 37 GLY CA C 13 45.427 0.300 . 1 . . . . 37 GLY CA . 10153 1 365 . 1 1 37 37 GLY HA2 H 1 4.036 0.030 . 2 . . . . 37 GLY HA2 . 10153 1 366 . 1 1 37 37 GLY HA3 H 1 3.983 0.030 . 2 . . . . 37 GLY HA3 . 10153 1 367 . 1 1 37 37 GLY C C 13 173.997 0.300 . 1 . . . . 37 GLY C . 10153 1 368 . 1 1 38 38 GLU N N 15 120.635 0.300 . 1 . . . . 38 GLU N . 10153 1 369 . 1 1 38 38 GLU H H 1 8.171 0.030 . 1 . . . . 38 GLU H . 10153 1 370 . 1 1 38 38 GLU CA C 13 56.637 0.300 . 1 . . . . 38 GLU CA . 10153 1 371 . 1 1 38 38 GLU HA H 1 4.253 0.030 . 1 . . . . 38 GLU HA . 10153 1 372 . 1 1 38 38 GLU CB C 13 30.415 0.300 . 1 . . . . 38 GLU CB . 10153 1 373 . 1 1 38 38 GLU HB2 H 1 2.006 0.030 . 2 . . . . 38 GLU HB2 . 10153 1 374 . 1 1 38 38 GLU HB3 H 1 1.926 0.030 . 2 . . . . 38 GLU HB3 . 10153 1 375 . 1 1 38 38 GLU CG C 13 36.208 0.300 . 1 . . . . 38 GLU CG . 10153 1 376 . 1 1 38 38 GLU HG2 H 1 2.268 0.030 . 2 . . . . 38 GLU HG2 . 10153 1 377 . 1 1 38 38 GLU HG3 H 1 2.228 0.030 . 2 . . . . 38 GLU HG3 . 10153 1 378 . 1 1 38 38 GLU C C 13 176.470 0.300 . 1 . . . . 38 GLU C . 10153 1 379 . 1 1 39 39 ARG N N 15 121.782 0.300 . 1 . . . . 39 ARG N . 10153 1 380 . 1 1 39 39 ARG H H 1 8.351 0.030 . 1 . . . . 39 ARG H . 10153 1 381 . 1 1 39 39 ARG CA C 13 56.036 0.300 . 1 . . . . 39 ARG CA . 10153 1 382 . 1 1 39 39 ARG HA H 1 4.315 0.030 . 1 . . . . 39 ARG HA . 10153 1 383 . 1 1 39 39 ARG CB C 13 30.779 0.300 . 1 . . . . 39 ARG CB . 10153 1 384 . 1 1 39 39 ARG HB2 H 1 1.803 0.030 . 2 . . . . 39 ARG HB2 . 10153 1 385 . 1 1 39 39 ARG HB3 H 1 1.736 0.030 . 2 . . . . 39 ARG HB3 . 10153 1 386 . 1 1 39 39 ARG CG C 13 27.123 0.300 . 1 . . . . 39 ARG CG . 10153 1 387 . 1 1 39 39 ARG HG2 H 1 1.595 0.030 . 1 . . . . 39 ARG HG2 . 10153 1 388 . 1 1 39 39 ARG HG3 H 1 1.595 0.030 . 1 . . . . 39 ARG HG3 . 10153 1 389 . 1 1 39 39 ARG CD C 13 43.177 0.300 . 1 . . . . 39 ARG CD . 10153 1 390 . 1 1 39 39 ARG HD2 H 1 3.192 0.030 . 1 . . . . 39 ARG HD2 . 10153 1 391 . 1 1 39 39 ARG HD3 H 1 3.192 0.030 . 1 . . . . 39 ARG HD3 . 10153 1 392 . 1 1 39 39 ARG C C 13 176.053 0.300 . 1 . . . . 39 ARG C . 10153 1 393 . 1 1 40 40 HIS CD2 C 13 120.204 0.300 . 1 . . . . 40 HIS CD2 . 10153 1 394 . 1 1 40 40 HIS HD2 H 1 7.030 0.030 . 1 . . . . 40 HIS HD2 . 10153 1 395 . 1 1 40 40 HIS CE1 C 13 137.996 0.300 . 1 . . . . 40 HIS CE1 . 10153 1 396 . 1 1 40 40 HIS HE1 H 1 7.989 0.030 . 1 . . . . 40 HIS HE1 . 10153 1 397 . 1 1 42 42 GLY CA C 13 44.643 0.300 . 1 . . . . 42 GLY CA . 10153 1 398 . 1 1 42 42 GLY HA2 H 1 4.150 0.030 . 1 . . . . 42 GLY HA2 . 10153 1 399 . 1 1 42 42 GLY HA3 H 1 4.150 0.030 . 1 . . . . 42 GLY HA3 . 10153 1 400 . 1 1 43 43 PRO CA C 13 63.307 0.300 . 1 . . . . 43 PRO CA . 10153 1 401 . 1 1 43 43 PRO HA H 1 4.501 0.030 . 1 . . . . 43 PRO HA . 10153 1 402 . 1 1 43 43 PRO CB C 13 32.245 0.300 . 1 . . . . 43 PRO CB . 10153 1 403 . 1 1 43 43 PRO HB2 H 1 2.320 0.030 . 1 . . . . 43 PRO HB2 . 10153 1 404 . 1 1 43 43 PRO HB3 H 1 2.320 0.030 . 1 . . . . 43 PRO HB3 . 10153 1 405 . 1 1 43 43 PRO CG C 13 27.174 0.300 . 1 . . . . 43 PRO CG . 10153 1 406 . 1 1 43 43 PRO HG2 H 1 2.038 0.030 . 1 . . . . 43 PRO HG2 . 10153 1 407 . 1 1 43 43 PRO HG3 H 1 2.038 0.030 . 1 . . . . 43 PRO HG3 . 10153 1 408 . 1 1 43 43 PRO CD C 13 49.819 0.300 . 1 . . . . 43 PRO CD . 10153 1 409 . 1 1 43 43 PRO HD2 H 1 3.652 0.030 . 1 . . . . 43 PRO HD2 . 10153 1 410 . 1 1 43 43 PRO HD3 H 1 3.652 0.030 . 1 . . . . 43 PRO HD3 . 10153 1 411 . 1 1 43 43 PRO C C 13 174.518 0.300 . 1 . . . . 43 PRO C . 10153 1 412 . 1 1 44 44 SER N N 15 116.564 0.300 . 1 . . . . 44 SER N . 10153 1 413 . 1 1 44 44 SER H H 1 8.531 0.030 . 1 . . . . 44 SER H . 10153 1 414 . 1 1 44 44 SER CA C 13 58.000 0.300 . 1 . . . . 44 SER CA . 10153 1 415 . 1 1 44 44 SER CB C 13 64.116 0.300 . 1 . . . . 44 SER CB . 10153 1 stop_ save_