################################### # 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 10171 _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 10171 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10171 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 45.410 0.300 . 1 . . . . 7 GLY CA . 10171 1 2 . 1 1 7 7 GLY HA3 H 1 4.029 0.030 . 1 . . . . 7 GLY HA3 . 10171 1 3 . 1 1 7 7 GLY C C 13 174.333 0.300 . 1 . . . . 7 GLY C . 10171 1 4 . 1 1 7 7 GLY HA2 H 1 4.029 0.030 . 1 . . . . 7 GLY HA2 . 10171 1 5 . 1 1 8 8 THR N N 15 113.596 0.300 . 1 . . . . 8 THR N . 10171 1 6 . 1 1 8 8 THR H H 1 8.037 0.030 . 1 . . . . 8 THR H . 10171 1 7 . 1 1 8 8 THR CA C 13 61.631 0.300 . 1 . . . . 8 THR CA . 10171 1 8 . 1 1 8 8 THR HA H 1 4.339 0.030 . 1 . . . . 8 THR HA . 10171 1 9 . 1 1 8 8 THR CB C 13 70.027 0.300 . 1 . . . . 8 THR CB . 10171 1 10 . 1 1 8 8 THR HB H 1 4.250 0.030 . 1 . . . . 8 THR HB . 10171 1 11 . 1 1 8 8 THR CG2 C 13 21.603 0.300 . 1 . . . . 8 THR CG2 . 10171 1 12 . 1 1 8 8 THR HG21 H 1 1.188 0.030 . 1 . . . . 8 THR HG2 . 10171 1 13 . 1 1 8 8 THR HG22 H 1 1.188 0.030 . 1 . . . . 8 THR HG2 . 10171 1 14 . 1 1 8 8 THR HG23 H 1 1.188 0.030 . 1 . . . . 8 THR HG2 . 10171 1 15 . 1 1 8 8 THR C C 13 174.408 0.300 . 1 . . . . 8 THR C . 10171 1 16 . 1 1 9 9 ALA N N 15 125.919 0.300 . 1 . . . . 9 ALA N . 10171 1 17 . 1 1 9 9 ALA H H 1 8.319 0.030 . 1 . . . . 9 ALA H . 10171 1 18 . 1 1 9 9 ALA CA C 13 52.725 0.300 . 1 . . . . 9 ALA CA . 10171 1 19 . 1 1 9 9 ALA HA H 1 4.265 0.030 . 1 . . . . 9 ALA HA . 10171 1 20 . 1 1 9 9 ALA CB C 13 19.143 0.300 . 1 . . . . 9 ALA CB . 10171 1 21 . 1 1 9 9 ALA HB1 H 1 1.351 0.030 . 1 . . . . 9 ALA HB . 10171 1 22 . 1 1 9 9 ALA HB2 H 1 1.351 0.030 . 1 . . . . 9 ALA HB . 10171 1 23 . 1 1 9 9 ALA HB3 H 1 1.351 0.030 . 1 . . . . 9 ALA HB . 10171 1 24 . 1 1 9 9 ALA C C 13 177.703 0.300 . 1 . . . . 9 ALA C . 10171 1 25 . 1 1 10 10 GLU N N 15 119.726 0.300 . 1 . . . . 10 GLU N . 10171 1 26 . 1 1 10 10 GLU H H 1 8.258 0.030 . 1 . . . . 10 GLU H . 10171 1 27 . 1 1 10 10 GLU CA C 13 57.161 0.300 . 1 . . . . 10 GLU CA . 10171 1 28 . 1 1 10 10 GLU HA H 1 4.130 0.030 . 1 . . . . 10 GLU HA . 10171 1 29 . 1 1 10 10 GLU CB C 13 30.255 0.300 . 1 . . . . 10 GLU CB . 10171 1 30 . 1 1 10 10 GLU HB3 H 1 1.930 0.030 . 2 . . . . 10 GLU HB3 . 10171 1 31 . 1 1 10 10 GLU CG C 13 36.379 0.300 . 1 . . . . 10 GLU CG . 10171 1 32 . 1 1 10 10 GLU HG3 H 1 2.225 0.030 . 2 . . . . 10 GLU HG3 . 10171 1 33 . 1 1 10 10 GLU C C 13 176.212 0.300 . 1 . . . . 10 GLU C . 10171 1 34 . 1 1 10 10 GLU HB2 H 1 1.975 0.030 . 2 . . . . 10 GLU HB2 . 10171 1 35 . 1 1 10 10 GLU HG2 H 1 2.281 0.030 . 2 . . . . 10 GLU HG2 . 10171 1 36 . 1 1 11 11 LYS N N 15 120.765 0.300 . 1 . . . . 11 LYS N . 10171 1 37 . 1 1 11 11 LYS H H 1 8.078 0.030 . 1 . . . . 11 LYS H . 10171 1 38 . 1 1 11 11 LYS CA C 13 53.786 0.300 . 1 . . . . 11 LYS CA . 10171 1 39 . 1 1 11 11 LYS HA H 1 4.509 0.030 . 1 . . . . 11 LYS HA . 10171 1 40 . 1 1 11 11 LYS CB C 13 32.725 0.300 . 1 . . . . 11 LYS CB . 10171 1 41 . 1 1 11 11 LYS HB3 H 1 1.415 0.030 . 2 . . . . 11 LYS HB3 . 10171 1 42 . 1 1 11 11 LYS CG C 13 24.981 0.300 . 1 . . . . 11 LYS CG . 10171 1 43 . 1 1 11 11 LYS HG3 H 1 1.151 0.030 . 2 . . . . 11 LYS HG3 . 10171 1 44 . 1 1 11 11 LYS CD C 13 29.546 0.300 . 1 . . . . 11 LYS CD . 10171 1 45 . 1 1 11 11 LYS HD3 H 1 1.481 0.030 . 2 . . . . 11 LYS HD3 . 10171 1 46 . 1 1 11 11 LYS CE C 13 42.129 0.300 . 1 . . . . 11 LYS CE . 10171 1 47 . 1 1 11 11 LYS HE3 H 1 2.900 0.030 . 1 . . . . 11 LYS HE3 . 10171 1 48 . 1 1 11 11 LYS C C 13 174.027 0.300 . 1 . . . . 11 LYS C . 10171 1 49 . 1 1 11 11 LYS HB2 H 1 1.597 0.030 . 2 . . . . 11 LYS HB2 . 10171 1 50 . 1 1 11 11 LYS HD2 H 1 1.554 0.030 . 2 . . . . 11 LYS HD2 . 10171 1 51 . 1 1 11 11 LYS HE2 H 1 2.900 0.030 . 1 . . . . 11 LYS HE2 . 10171 1 52 . 1 1 11 11 LYS HG2 H 1 1.323 0.030 . 2 . . . . 11 LYS HG2 . 10171 1 53 . 1 1 12 12 PRO CA C 13 63.494 0.300 . 1 . . . . 12 PRO CA . 10171 1 54 . 1 1 12 12 PRO HA H 1 4.266 0.030 . 1 . . . . 12 PRO HA . 10171 1 55 . 1 1 12 12 PRO CB C 13 32.363 0.300 . 1 . . . . 12 PRO CB . 10171 1 56 . 1 1 12 12 PRO HB3 H 1 1.997 0.030 . 2 . . . . 12 PRO HB3 . 10171 1 57 . 1 1 12 12 PRO CG C 13 26.603 0.300 . 1 . . . . 12 PRO CG . 10171 1 58 . 1 1 12 12 PRO HG3 H 1 1.544 0.030 . 2 . . . . 12 PRO HG3 . 10171 1 59 . 1 1 12 12 PRO CD C 13 50.329 0.300 . 1 . . . . 12 PRO CD . 10171 1 60 . 1 1 12 12 PRO HD3 H 1 3.630 0.030 . 1 . . . . 12 PRO HD3 . 10171 1 61 . 1 1 12 12 PRO C C 13 176.390 0.300 . 1 . . . . 12 PRO C . 10171 1 62 . 1 1 12 12 PRO HB2 H 1 1.244 0.030 . 2 . . . . 12 PRO HB2 . 10171 1 63 . 1 1 12 12 PRO HD2 H 1 3.630 0.030 . 1 . . . . 12 PRO HD2 . 10171 1 64 . 1 1 12 12 PRO HG2 H 1 1.801 0.030 . 2 . . . . 12 PRO HG2 . 10171 1 65 . 1 1 13 13 PHE N N 15 118.125 0.300 . 1 . . . . 13 PHE N . 10171 1 66 . 1 1 13 13 PHE H H 1 7.951 0.030 . 1 . . . . 13 PHE H . 10171 1 67 . 1 1 13 13 PHE CA C 13 57.351 0.300 . 1 . . . . 13 PHE CA . 10171 1 68 . 1 1 13 13 PHE HA H 1 4.712 0.030 . 1 . . . . 13 PHE HA . 10171 1 69 . 1 1 13 13 PHE CB C 13 39.241 0.300 . 1 . . . . 13 PHE CB . 10171 1 70 . 1 1 13 13 PHE HB3 H 1 3.076 0.030 . 2 . . . . 13 PHE HB3 . 10171 1 71 . 1 1 13 13 PHE CD1 C 13 131.675 0.300 . 1 . . . . 13 PHE CD1 . 10171 1 72 . 1 1 13 13 PHE HD1 H 1 7.124 0.030 . 1 . . . . 13 PHE HD1 . 10171 1 73 . 1 1 13 13 PHE CD2 C 13 131.675 0.300 . 1 . . . . 13 PHE CD2 . 10171 1 74 . 1 1 13 13 PHE HD2 H 1 7.124 0.030 . 1 . . . . 13 PHE HD2 . 10171 1 75 . 1 1 13 13 PHE CE1 C 13 131.672 0.300 . 1 . . . . 13 PHE CE1 . 10171 1 76 . 1 1 13 13 PHE HE1 H 1 7.438 0.030 . 1 . . . . 13 PHE HE1 . 10171 1 77 . 1 1 13 13 PHE CE2 C 13 131.672 0.300 . 1 . . . . 13 PHE CE2 . 10171 1 78 . 1 1 13 13 PHE HE2 H 1 7.438 0.030 . 1 . . . . 13 PHE HE2 . 10171 1 79 . 1 1 13 13 PHE CZ C 13 130.143 0.300 . 1 . . . . 13 PHE CZ . 10171 1 80 . 1 1 13 13 PHE HZ H 1 7.397 0.030 . 1 . . . . 13 PHE HZ . 10171 1 81 . 1 1 13 13 PHE C C 13 174.556 0.300 . 1 . . . . 13 PHE C . 10171 1 82 . 1 1 13 13 PHE HB2 H 1 2.899 0.030 . 2 . . . . 13 PHE HB2 . 10171 1 83 . 1 1 14 14 ARG N N 15 125.116 0.300 . 1 . . . . 14 ARG N . 10171 1 84 . 1 1 14 14 ARG H H 1 8.683 0.030 . 1 . . . . 14 ARG H . 10171 1 85 . 1 1 14 14 ARG CA C 13 55.114 0.300 . 1 . . . . 14 ARG CA . 10171 1 86 . 1 1 14 14 ARG HA H 1 4.811 0.030 . 1 . . . . 14 ARG HA . 10171 1 87 . 1 1 14 14 ARG CB C 13 32.743 0.300 . 1 . . . . 14 ARG CB . 10171 1 88 . 1 1 14 14 ARG HB3 H 1 1.818 0.030 . 2 . . . . 14 ARG HB3 . 10171 1 89 . 1 1 14 14 ARG CG C 13 27.343 0.300 . 1 . . . . 14 ARG CG . 10171 1 90 . 1 1 14 14 ARG HG3 H 1 1.490 0.030 . 1 . . . . 14 ARG HG3 . 10171 1 91 . 1 1 14 14 ARG CD C 13 43.246 0.300 . 1 . . . . 14 ARG CD . 10171 1 92 . 1 1 14 14 ARG HD3 H 1 3.116 0.030 . 2 . . . . 14 ARG HD3 . 10171 1 93 . 1 1 14 14 ARG C C 13 175.152 0.300 . 1 . . . . 14 ARG C . 10171 1 94 . 1 1 14 14 ARG HB2 H 1 1.665 0.030 . 2 . . . . 14 ARG HB2 . 10171 1 95 . 1 1 14 14 ARG HD2 H 1 3.171 0.030 . 2 . . . . 14 ARG HD2 . 10171 1 96 . 1 1 14 14 ARG HG2 H 1 1.490 0.030 . 1 . . . . 14 ARG HG2 . 10171 1 97 . 1 1 15 15 CYS N N 15 126.627 0.300 . 1 . . . . 15 CYS N . 10171 1 98 . 1 1 15 15 CYS H H 1 8.950 0.030 . 1 . . . . 15 CYS H . 10171 1 99 . 1 1 15 15 CYS CA C 13 60.705 0.300 . 1 . . . . 15 CYS CA . 10171 1 100 . 1 1 15 15 CYS HA H 1 4.445 0.030 . 1 . . . . 15 CYS HA . 10171 1 101 . 1 1 15 15 CYS CB C 13 29.486 0.300 . 1 . . . . 15 CYS CB . 10171 1 102 . 1 1 15 15 CYS HB3 H 1 3.440 0.030 . 2 . . . . 15 CYS HB3 . 10171 1 103 . 1 1 15 15 CYS C C 13 175.282 0.300 . 1 . . . . 15 CYS C . 10171 1 104 . 1 1 15 15 CYS HB2 H 1 2.836 0.030 . 2 . . . . 15 CYS HB2 . 10171 1 105 . 1 1 16 16 ASP N N 15 127.711 0.300 . 1 . . . . 16 ASP N . 10171 1 106 . 1 1 16 16 ASP H H 1 9.030 0.030 . 1 . . . . 16 ASP H . 10171 1 107 . 1 1 16 16 ASP CA C 13 55.559 0.300 . 1 . . . . 16 ASP CA . 10171 1 108 . 1 1 16 16 ASP HA H 1 4.588 0.030 . 1 . . . . 16 ASP HA . 10171 1 109 . 1 1 16 16 ASP CB C 13 40.455 0.300 . 1 . . . . 16 ASP CB . 10171 1 110 . 1 1 16 16 ASP HB3 H 1 2.847 0.030 . 1 . . . . 16 ASP HB3 . 10171 1 111 . 1 1 16 16 ASP C C 13 176.634 0.300 . 1 . . . . 16 ASP C . 10171 1 112 . 1 1 16 16 ASP HB2 H 1 2.847 0.030 . 1 . . . . 16 ASP HB2 . 10171 1 113 . 1 1 17 17 THR N N 15 119.919 0.300 . 1 . . . . 17 THR N . 10171 1 114 . 1 1 17 17 THR H H 1 9.285 0.030 . 1 . . . . 17 THR H . 10171 1 115 . 1 1 17 17 THR CA C 13 65.157 0.300 . 1 . . . . 17 THR CA . 10171 1 116 . 1 1 17 17 THR HA H 1 4.191 0.030 . 1 . . . . 17 THR HA . 10171 1 117 . 1 1 17 17 THR CB C 13 69.826 0.300 . 1 . . . . 17 THR CB . 10171 1 118 . 1 1 17 17 THR HB H 1 3.194 0.030 . 1 . . . . 17 THR HB . 10171 1 119 . 1 1 17 17 THR CG2 C 13 21.137 0.300 . 1 . . . . 17 THR CG2 . 10171 1 120 . 1 1 17 17 THR HG21 H 1 0.685 0.030 . 1 . . . . 17 THR HG2 . 10171 1 121 . 1 1 17 17 THR HG22 H 1 0.685 0.030 . 1 . . . . 17 THR HG2 . 10171 1 122 . 1 1 17 17 THR HG23 H 1 0.685 0.030 . 1 . . . . 17 THR HG2 . 10171 1 123 . 1 1 17 17 THR C C 13 174.022 0.300 . 1 . . . . 17 THR C . 10171 1 124 . 1 1 18 18 CYS N N 15 121.187 0.300 . 1 . . . . 18 CYS N . 10171 1 125 . 1 1 18 18 CYS H H 1 8.128 0.030 . 1 . . . . 18 CYS H . 10171 1 126 . 1 1 18 18 CYS CA C 13 58.215 0.300 . 1 . . . . 18 CYS CA . 10171 1 127 . 1 1 18 18 CYS HA H 1 5.105 0.030 . 1 . . . . 18 CYS HA . 10171 1 128 . 1 1 18 18 CYS CB C 13 31.519 0.300 . 1 . . . . 18 CYS CB . 10171 1 129 . 1 1 18 18 CYS HB3 H 1 3.411 0.030 . 2 . . . . 18 CYS HB3 . 10171 1 130 . 1 1 18 18 CYS C C 13 174.129 0.300 . 1 . . . . 18 CYS C . 10171 1 131 . 1 1 18 18 CYS HB2 H 1 2.875 0.030 . 2 . . . . 18 CYS HB2 . 10171 1 132 . 1 1 19 19 ASP N N 15 118.150 0.300 . 1 . . . . 19 ASP N . 10171 1 133 . 1 1 19 19 ASP H H 1 8.128 0.030 . 1 . . . . 19 ASP H . 10171 1 134 . 1 1 19 19 ASP CA C 13 55.559 0.300 . 1 . . . . 19 ASP CA . 10171 1 135 . 1 1 19 19 ASP HA H 1 4.588 0.030 . 1 . . . . 19 ASP HA . 10171 1 136 . 1 1 19 19 ASP CB C 13 40.878 0.300 . 1 . . . . 19 ASP CB . 10171 1 137 . 1 1 19 19 ASP HB3 H 1 2.857 0.030 . 2 . . . . 19 ASP HB3 . 10171 1 138 . 1 1 19 19 ASP C C 13 175.850 0.300 . 1 . . . . 19 ASP C . 10171 1 139 . 1 1 19 19 ASP HB2 H 1 2.760 0.030 . 2 . . . . 19 ASP HB2 . 10171 1 140 . 1 1 20 20 LYS N N 15 121.871 0.300 . 1 . . . . 20 LYS N . 10171 1 141 . 1 1 20 20 LYS H H 1 8.112 0.030 . 1 . . . . 20 LYS H . 10171 1 142 . 1 1 20 20 LYS CA C 13 57.660 0.300 . 1 . . . . 20 LYS CA . 10171 1 143 . 1 1 20 20 LYS HA H 1 4.099 0.030 . 1 . . . . 20 LYS HA . 10171 1 144 . 1 1 20 20 LYS CB C 13 34.026 0.300 . 1 . . . . 20 LYS CB . 10171 1 145 . 1 1 20 20 LYS HB3 H 1 1.399 0.030 . 2 . . . . 20 LYS HB3 . 10171 1 146 . 1 1 20 20 LYS CG C 13 26.264 0.300 . 1 . . . . 20 LYS CG . 10171 1 147 . 1 1 20 20 LYS HG3 H 1 1.499 0.030 . 2 . . . . 20 LYS HG3 . 10171 1 148 . 1 1 20 20 LYS CD C 13 28.985 0.300 . 1 . . . . 20 LYS CD . 10171 1 149 . 1 1 20 20 LYS HD3 H 1 1.503 0.030 . 1 . . . . 20 LYS HD3 . 10171 1 150 . 1 1 20 20 LYS CE C 13 42.331 0.300 . 1 . . . . 20 LYS CE . 10171 1 151 . 1 1 20 20 LYS HE3 H 1 3.015 0.030 . 1 . . . . 20 LYS HE3 . 10171 1 152 . 1 1 20 20 LYS C C 13 174.727 0.300 . 1 . . . . 20 LYS C . 10171 1 153 . 1 1 20 20 LYS HB2 H 1 1.247 0.030 . 2 . . . . 20 LYS HB2 . 10171 1 154 . 1 1 20 20 LYS HD2 H 1 1.503 0.030 . 1 . . . . 20 LYS HD2 . 10171 1 155 . 1 1 20 20 LYS HE2 H 1 3.015 0.030 . 1 . . . . 20 LYS HE2 . 10171 1 156 . 1 1 20 20 LYS HG2 H 1 1.294 0.030 . 2 . . . . 20 LYS HG2 . 10171 1 157 . 1 1 21 21 SER N N 15 114.588 0.300 . 1 . . . . 21 SER N . 10171 1 158 . 1 1 21 21 SER H H 1 7.743 0.030 . 1 . . . . 21 SER H . 10171 1 159 . 1 1 21 21 SER CA C 13 56.845 0.300 . 1 . . . . 21 SER CA . 10171 1 160 . 1 1 21 21 SER HA H 1 5.224 0.030 . 1 . . . . 21 SER HA . 10171 1 161 . 1 1 21 21 SER CB C 13 66.180 0.300 . 1 . . . . 21 SER CB . 10171 1 162 . 1 1 21 21 SER HB3 H 1 3.589 0.030 . 2 . . . . 21 SER HB3 . 10171 1 163 . 1 1 21 21 SER C C 13 172.795 0.300 . 1 . . . . 21 SER C . 10171 1 164 . 1 1 21 21 SER HB2 H 1 3.618 0.030 . 2 . . . . 21 SER HB2 . 10171 1 165 . 1 1 22 22 PHE N N 15 117.192 0.300 . 1 . . . . 22 PHE N . 10171 1 166 . 1 1 22 22 PHE H H 1 8.783 0.030 . 1 . . . . 22 PHE H . 10171 1 167 . 1 1 22 22 PHE CA C 13 57.524 0.300 . 1 . . . . 22 PHE CA . 10171 1 168 . 1 1 22 22 PHE HA H 1 4.727 0.030 . 1 . . . . 22 PHE HA . 10171 1 169 . 1 1 22 22 PHE CB C 13 44.051 0.300 . 1 . . . . 22 PHE CB . 10171 1 170 . 1 1 22 22 PHE HB3 H 1 3.462 0.030 . 2 . . . . 22 PHE HB3 . 10171 1 171 . 1 1 22 22 PHE CD1 C 13 132.356 0.300 . 1 . . . . 22 PHE CD1 . 10171 1 172 . 1 1 22 22 PHE HD1 H 1 7.248 0.030 . 1 . . . . 22 PHE HD1 . 10171 1 173 . 1 1 22 22 PHE CD2 C 13 132.356 0.300 . 1 . . . . 22 PHE CD2 . 10171 1 174 . 1 1 22 22 PHE HD2 H 1 7.248 0.030 . 1 . . . . 22 PHE HD2 . 10171 1 175 . 1 1 22 22 PHE CE1 C 13 130.644 0.300 . 1 . . . . 22 PHE CE1 . 10171 1 176 . 1 1 22 22 PHE HE1 H 1 6.877 0.030 . 1 . . . . 22 PHE HE1 . 10171 1 177 . 1 1 22 22 PHE CE2 C 13 130.644 0.300 . 1 . . . . 22 PHE CE2 . 10171 1 178 . 1 1 22 22 PHE HE2 H 1 6.877 0.030 . 1 . . . . 22 PHE HE2 . 10171 1 179 . 1 1 22 22 PHE CZ C 13 129.000 0.300 . 1 . . . . 22 PHE CZ . 10171 1 180 . 1 1 22 22 PHE HZ H 1 6.257 0.030 . 1 . . . . 22 PHE HZ . 10171 1 181 . 1 1 22 22 PHE C C 13 175.101 0.300 . 1 . . . . 22 PHE C . 10171 1 182 . 1 1 22 22 PHE HB2 H 1 2.669 0.030 . 2 . . . . 22 PHE HB2 . 10171 1 183 . 1 1 23 23 ARG N N 15 120.595 0.300 . 1 . . . . 23 ARG N . 10171 1 184 . 1 1 23 23 ARG H H 1 9.190 0.030 . 1 . . . . 23 ARG H . 10171 1 185 . 1 1 23 23 ARG CA C 13 58.140 0.300 . 1 . . . . 23 ARG CA . 10171 1 186 . 1 1 23 23 ARG HA H 1 4.541 0.030 . 1 . . . . 23 ARG HA . 10171 1 187 . 1 1 23 23 ARG CB C 13 31.352 0.300 . 1 . . . . 23 ARG CB . 10171 1 188 . 1 1 23 23 ARG HB3 H 1 2.002 0.030 . 2 . . . . 23 ARG HB3 . 10171 1 189 . 1 1 23 23 ARG CG C 13 28.318 0.300 . 1 . . . . 23 ARG CG . 10171 1 190 . 1 1 23 23 ARG HG3 H 1 1.822 0.030 . 2 . . . . 23 ARG HG3 . 10171 1 191 . 1 1 23 23 ARG CD C 13 43.363 0.300 . 1 . . . . 23 ARG CD . 10171 1 192 . 1 1 23 23 ARG HD3 H 1 3.317 0.030 . 1 . . . . 23 ARG HD3 . 10171 1 193 . 1 1 23 23 ARG C C 13 175.992 0.300 . 1 . . . . 23 ARG C . 10171 1 194 . 1 1 23 23 ARG HB2 H 1 2.119 0.030 . 2 . . . . 23 ARG HB2 . 10171 1 195 . 1 1 23 23 ARG HD2 H 1 3.317 0.030 . 1 . . . . 23 ARG HD2 . 10171 1 196 . 1 1 23 23 ARG HG2 H 1 1.875 0.030 . 2 . . . . 23 ARG HG2 . 10171 1 197 . 1 1 24 24 GLN N N 15 113.055 0.300 . 1 . . . . 24 GLN N . 10171 1 198 . 1 1 24 24 GLN H H 1 7.538 0.030 . 1 . . . . 24 GLN H . 10171 1 199 . 1 1 24 24 GLN CA C 13 53.944 0.300 . 1 . . . . 24 GLN CA . 10171 1 200 . 1 1 24 24 GLN HA H 1 4.792 0.030 . 1 . . . . 24 GLN HA . 10171 1 201 . 1 1 24 24 GLN CB C 13 31.991 0.300 . 1 . . . . 24 GLN CB . 10171 1 202 . 1 1 24 24 GLN HB3 H 1 2.264 0.030 . 2 . . . . 24 GLN HB3 . 10171 1 203 . 1 1 24 24 GLN CG C 13 33.731 0.300 . 1 . . . . 24 GLN CG . 10171 1 204 . 1 1 24 24 GLN HG3 H 1 2.428 0.030 . 1 . . . . 24 GLN HG3 . 10171 1 205 . 1 1 24 24 GLN NE2 N 15 112.229 0.300 . 1 . . . . 24 GLN NE2 . 10171 1 206 . 1 1 24 24 GLN HE21 H 1 6.956 0.030 . 2 . . . . 24 GLN HE21 . 10171 1 207 . 1 1 24 24 GLN HE22 H 1 7.582 0.030 . 2 . . . . 24 GLN HE22 . 10171 1 208 . 1 1 24 24 GLN C C 13 175.828 0.300 . 1 . . . . 24 GLN C . 10171 1 209 . 1 1 24 24 GLN HB2 H 1 1.978 0.030 . 2 . . . . 24 GLN HB2 . 10171 1 210 . 1 1 24 24 GLN HG2 H 1 2.428 0.030 . 1 . . . . 24 GLN HG2 . 10171 1 211 . 1 1 25 25 ARG N N 15 126.893 0.300 . 1 . . . . 25 ARG N . 10171 1 212 . 1 1 25 25 ARG H H 1 8.562 0.030 . 1 . . . . 25 ARG H . 10171 1 213 . 1 1 25 25 ARG CA C 13 59.274 0.300 . 1 . . . . 25 ARG CA . 10171 1 214 . 1 1 25 25 ARG HA H 1 2.955 0.030 . 1 . . . . 25 ARG HA . 10171 1 215 . 1 1 25 25 ARG CB C 13 29.418 0.300 . 1 . . . . 25 ARG CB . 10171 1 216 . 1 1 25 25 ARG HB3 H 1 1.098 0.030 . 2 . . . . 25 ARG HB3 . 10171 1 217 . 1 1 25 25 ARG CG C 13 27.194 0.300 . 1 . . . . 25 ARG CG . 10171 1 218 . 1 1 25 25 ARG HG3 H 1 1.149 0.030 . 2 . . . . 25 ARG HG3 . 10171 1 219 . 1 1 25 25 ARG CD C 13 43.020 0.300 . 1 . . . . 25 ARG CD . 10171 1 220 . 1 1 25 25 ARG HD3 H 1 3.025 0.030 . 2 . . . . 25 ARG HD3 . 10171 1 221 . 1 1 25 25 ARG C C 13 178.032 0.300 . 1 . . . . 25 ARG C . 10171 1 222 . 1 1 25 25 ARG HB2 H 1 1.428 0.030 . 2 . . . . 25 ARG HB2 . 10171 1 223 . 1 1 25 25 ARG HD2 H 1 3.118 0.030 . 2 . . . . 25 ARG HD2 . 10171 1 224 . 1 1 25 25 ARG HG2 H 1 1.280 0.030 . 2 . . . . 25 ARG HG2 . 10171 1 225 . 1 1 26 26 SER CA C 13 60.900 0.300 . 1 . . . . 26 SER CA . 10171 1 226 . 1 1 26 26 SER HA H 1 3.990 0.030 . 1 . . . . 26 SER HA . 10171 1 227 . 1 1 26 26 SER CB C 13 61.349 0.300 . 1 . . . . 26 SER CB . 10171 1 228 . 1 1 26 26 SER HB3 H 1 3.849 0.030 . 1 . . . . 26 SER HB3 . 10171 1 229 . 1 1 26 26 SER C C 13 176.508 0.300 . 1 . . . . 26 SER C . 10171 1 230 . 1 1 26 26 SER HB2 H 1 3.849 0.030 . 1 . . . . 26 SER HB2 . 10171 1 231 . 1 1 27 27 ALA N N 15 124.883 0.300 . 1 . . . . 27 ALA N . 10171 1 232 . 1 1 27 27 ALA H H 1 6.637 0.030 . 1 . . . . 27 ALA H . 10171 1 233 . 1 1 27 27 ALA CA C 13 54.234 0.300 . 1 . . . . 27 ALA CA . 10171 1 234 . 1 1 27 27 ALA HA H 1 4.143 0.030 . 1 . . . . 27 ALA HA . 10171 1 235 . 1 1 27 27 ALA CB C 13 19.102 0.300 . 1 . . . . 27 ALA CB . 10171 1 236 . 1 1 27 27 ALA HB1 H 1 1.625 0.030 . 1 . . . . 27 ALA HB . 10171 1 237 . 1 1 27 27 ALA HB2 H 1 1.625 0.030 . 1 . . . . 27 ALA HB . 10171 1 238 . 1 1 27 27 ALA HB3 H 1 1.625 0.030 . 1 . . . . 27 ALA HB . 10171 1 239 . 1 1 27 27 ALA C C 13 179.857 0.300 . 1 . . . . 27 ALA C . 10171 1 240 . 1 1 28 28 LEU N N 15 120.865 0.300 . 1 . . . . 28 LEU N . 10171 1 241 . 1 1 28 28 LEU H H 1 6.980 0.030 . 1 . . . . 28 LEU H . 10171 1 242 . 1 1 28 28 LEU CA C 13 57.651 0.300 . 1 . . . . 28 LEU CA . 10171 1 243 . 1 1 28 28 LEU HA H 1 3.201 0.030 . 1 . . . . 28 LEU HA . 10171 1 244 . 1 1 28 28 LEU CB C 13 40.193 0.300 . 1 . . . . 28 LEU CB . 10171 1 245 . 1 1 28 28 LEU HB3 H 1 1.943 0.030 . 2 . . . . 28 LEU HB3 . 10171 1 246 . 1 1 28 28 LEU CG C 13 27.679 0.300 . 1 . . . . 28 LEU CG . 10171 1 247 . 1 1 28 28 LEU HG H 1 1.496 0.030 . 1 . . . . 28 LEU HG . 10171 1 248 . 1 1 28 28 LEU CD1 C 13 22.543 0.300 . 2 . . . . 28 LEU CD1 . 10171 1 249 . 1 1 28 28 LEU HD11 H 1 1.032 0.030 . 1 . . . . 28 LEU HD1 . 10171 1 250 . 1 1 28 28 LEU HD12 H 1 1.032 0.030 . 1 . . . . 28 LEU HD1 . 10171 1 251 . 1 1 28 28 LEU HD13 H 1 1.032 0.030 . 1 . . . . 28 LEU HD1 . 10171 1 252 . 1 1 28 28 LEU CD2 C 13 26.619 0.300 . 2 . . . . 28 LEU CD2 . 10171 1 253 . 1 1 28 28 LEU HD21 H 1 1.023 0.030 . 1 . . . . 28 LEU HD2 . 10171 1 254 . 1 1 28 28 LEU HD22 H 1 1.023 0.030 . 1 . . . . 28 LEU HD2 . 10171 1 255 . 1 1 28 28 LEU HD23 H 1 1.023 0.030 . 1 . . . . 28 LEU HD2 . 10171 1 256 . 1 1 28 28 LEU C C 13 177.607 0.300 . 1 . . . . 28 LEU C . 10171 1 257 . 1 1 28 28 LEU HB2 H 1 1.273 0.030 . 2 . . . . 28 LEU HB2 . 10171 1 258 . 1 1 29 29 ASN N N 15 117.824 0.300 . 1 . . . . 29 ASN N . 10171 1 259 . 1 1 29 29 ASN H H 1 8.364 0.030 . 1 . . . . 29 ASN H . 10171 1 260 . 1 1 29 29 ASN CA C 13 56.041 0.300 . 1 . . . . 29 ASN CA . 10171 1 261 . 1 1 29 29 ASN HA H 1 4.291 0.030 . 1 . . . . 29 ASN HA . 10171 1 262 . 1 1 29 29 ASN CB C 13 37.208 0.300 . 1 . . . . 29 ASN CB . 10171 1 263 . 1 1 29 29 ASN HB3 H 1 2.776 0.030 . 1 . . . . 29 ASN HB3 . 10171 1 264 . 1 1 29 29 ASN ND2 N 15 110.720 0.300 . 1 . . . . 29 ASN ND2 . 10171 1 265 . 1 1 29 29 ASN HD21 H 1 7.602 0.030 . 2 . . . . 29 ASN HD21 . 10171 1 266 . 1 1 29 29 ASN HD22 H 1 6.683 0.030 . 2 . . . . 29 ASN HD22 . 10171 1 267 . 1 1 29 29 ASN C C 13 178.174 0.300 . 1 . . . . 29 ASN C . 10171 1 268 . 1 1 29 29 ASN HB2 H 1 2.776 0.030 . 1 . . . . 29 ASN HB2 . 10171 1 269 . 1 1 30 30 SER N N 15 114.405 0.300 . 1 . . . . 30 SER N . 10171 1 270 . 1 1 30 30 SER H H 1 7.817 0.030 . 1 . . . . 30 SER H . 10171 1 271 . 1 1 30 30 SER CA C 13 61.429 0.300 . 1 . . . . 30 SER CA . 10171 1 272 . 1 1 30 30 SER HA H 1 4.211 0.030 . 1 . . . . 30 SER HA . 10171 1 273 . 1 1 30 30 SER CB C 13 62.626 0.300 . 1 . . . . 30 SER CB . 10171 1 274 . 1 1 30 30 SER HB3 H 1 3.847 0.030 . 1 . . . . 30 SER HB3 . 10171 1 275 . 1 1 30 30 SER C C 13 176.722 0.300 . 1 . . . . 30 SER C . 10171 1 276 . 1 1 30 30 SER HB2 H 1 3.847 0.030 . 1 . . . . 30 SER HB2 . 10171 1 277 . 1 1 31 31 HIS N N 15 121.832 0.300 . 1 . . . . 31 HIS N . 10171 1 278 . 1 1 31 31 HIS H H 1 7.642 0.030 . 1 . . . . 31 HIS H . 10171 1 279 . 1 1 31 31 HIS CA C 13 59.238 0.300 . 1 . . . . 31 HIS CA . 10171 1 280 . 1 1 31 31 HIS HA H 1 4.197 0.030 . 1 . . . . 31 HIS HA . 10171 1 281 . 1 1 31 31 HIS CB C 13 28.523 0.300 . 1 . . . . 31 HIS CB . 10171 1 282 . 1 1 31 31 HIS HB3 H 1 3.117 0.030 . 2 . . . . 31 HIS HB3 . 10171 1 283 . 1 1 31 31 HIS CD2 C 13 127.215 0.300 . 1 . . . . 31 HIS CD2 . 10171 1 284 . 1 1 31 31 HIS HD2 H 1 6.986 0.030 . 1 . . . . 31 HIS HD2 . 10171 1 285 . 1 1 31 31 HIS CE1 C 13 139.570 0.300 . 1 . . . . 31 HIS CE1 . 10171 1 286 . 1 1 31 31 HIS HE1 H 1 8.020 0.030 . 1 . . . . 31 HIS HE1 . 10171 1 287 . 1 1 31 31 HIS C C 13 176.289 0.300 . 1 . . . . 31 HIS C . 10171 1 288 . 1 1 31 31 HIS HB2 H 1 2.909 0.030 . 2 . . . . 31 HIS HB2 . 10171 1 289 . 1 1 32 32 ARG N N 15 115.403 0.300 . 1 . . . . 32 ARG N . 10171 1 290 . 1 1 32 32 ARG H H 1 8.369 0.030 . 1 . . . . 32 ARG H . 10171 1 291 . 1 1 32 32 ARG CA C 13 59.823 0.300 . 1 . . . . 32 ARG CA . 10171 1 292 . 1 1 32 32 ARG HA H 1 3.681 0.030 . 1 . . . . 32 ARG HA . 10171 1 293 . 1 1 32 32 ARG CB C 13 30.134 0.300 . 1 . . . . 32 ARG CB . 10171 1 294 . 1 1 32 32 ARG HB3 H 1 1.986 0.030 . 2 . . . . 32 ARG HB3 . 10171 1 295 . 1 1 32 32 ARG CG C 13 28.874 0.300 . 1 . . . . 32 ARG CG . 10171 1 296 . 1 1 32 32 ARG HG3 H 1 2.114 0.030 . 1 . . . . 32 ARG HG3 . 10171 1 297 . 1 1 32 32 ARG CD C 13 43.692 0.300 . 1 . . . . 32 ARG CD . 10171 1 298 . 1 1 32 32 ARG HD3 H 1 3.340 0.030 . 2 . . . . 32 ARG HD3 . 10171 1 299 . 1 1 32 32 ARG C C 13 177.770 0.300 . 1 . . . . 32 ARG C . 10171 1 300 . 1 1 32 32 ARG HB2 H 1 2.069 0.030 . 2 . . . . 32 ARG HB2 . 10171 1 301 . 1 1 32 32 ARG HD2 H 1 3.416 0.030 . 2 . . . . 32 ARG HD2 . 10171 1 302 . 1 1 32 32 ARG HG2 H 1 2.114 0.030 . 1 . . . . 32 ARG HG2 . 10171 1 303 . 1 1 33 33 MET N N 15 116.194 0.300 . 1 . . . . 33 MET N . 10171 1 304 . 1 1 33 33 MET H H 1 7.101 0.030 . 1 . . . . 33 MET H . 10171 1 305 . 1 1 33 33 MET CA C 13 57.585 0.300 . 1 . . . . 33 MET CA . 10171 1 306 . 1 1 33 33 MET HA H 1 4.275 0.030 . 1 . . . . 33 MET HA . 10171 1 307 . 1 1 33 33 MET CB C 13 32.092 0.300 . 1 . . . . 33 MET CB . 10171 1 308 . 1 1 33 33 MET HB3 H 1 2.110 0.030 . 2 . . . . 33 MET HB3 . 10171 1 309 . 1 1 33 33 MET CG C 13 32.091 0.300 . 1 . . . . 33 MET CG . 10171 1 310 . 1 1 33 33 MET HG3 H 1 2.603 0.030 . 2 . . . . 33 MET HG3 . 10171 1 311 . 1 1 33 33 MET CE C 13 16.969 0.300 . 1 . . . . 33 MET CE . 10171 1 312 . 1 1 33 33 MET HE1 H 1 2.073 0.030 . 1 . . . . 33 MET HE . 10171 1 313 . 1 1 33 33 MET HE2 H 1 2.073 0.030 . 1 . . . . 33 MET HE . 10171 1 314 . 1 1 33 33 MET HE3 H 1 2.073 0.030 . 1 . . . . 33 MET HE . 10171 1 315 . 1 1 33 33 MET C C 13 178.400 0.300 . 1 . . . . 33 MET C . 10171 1 316 . 1 1 33 33 MET HB2 H 1 2.074 0.030 . 2 . . . . 33 MET HB2 . 10171 1 317 . 1 1 33 33 MET HG2 H 1 2.801 0.030 . 2 . . . . 33 MET HG2 . 10171 1 318 . 1 1 34 34 ILE N N 15 116.686 0.300 . 1 . . . . 34 ILE N . 10171 1 319 . 1 1 34 34 ILE H H 1 7.842 0.030 . 1 . . . . 34 ILE H . 10171 1 320 . 1 1 34 34 ILE CA C 13 63.035 0.300 . 1 . . . . 34 ILE CA . 10171 1 321 . 1 1 34 34 ILE HA H 1 4.015 0.030 . 1 . . . . 34 ILE HA . 10171 1 322 . 1 1 34 34 ILE CB C 13 37.667 0.300 . 1 . . . . 34 ILE CB . 10171 1 323 . 1 1 34 34 ILE HB H 1 1.716 0.030 . 1 . . . . 34 ILE HB . 10171 1 324 . 1 1 34 34 ILE CG1 C 13 26.684 0.300 . 1 . . . . 34 ILE CG1 . 10171 1 325 . 1 1 34 34 ILE HG13 H 1 0.966 0.030 . 2 . . . . 34 ILE HG13 . 10171 1 326 . 1 1 34 34 ILE CG2 C 13 16.522 0.300 . 1 . . . . 34 ILE CG2 . 10171 1 327 . 1 1 34 34 ILE HG21 H 1 0.584 0.030 . 1 . . . . 34 ILE HG2 . 10171 1 328 . 1 1 34 34 ILE HG22 H 1 0.584 0.030 . 1 . . . . 34 ILE HG2 . 10171 1 329 . 1 1 34 34 ILE HG23 H 1 0.584 0.030 . 1 . . . . 34 ILE HG2 . 10171 1 330 . 1 1 34 34 ILE CD1 C 13 14.354 0.300 . 1 . . . . 34 ILE CD1 . 10171 1 331 . 1 1 34 34 ILE HD11 H 1 0.720 0.030 . 1 . . . . 34 ILE HD1 . 10171 1 332 . 1 1 34 34 ILE HD12 H 1 0.720 0.030 . 1 . . . . 34 ILE HD1 . 10171 1 333 . 1 1 34 34 ILE HD13 H 1 0.720 0.030 . 1 . . . . 34 ILE HD1 . 10171 1 334 . 1 1 34 34 ILE C C 13 177.407 0.300 . 1 . . . . 34 ILE C . 10171 1 335 . 1 1 34 34 ILE HG12 H 1 0.784 0.030 . 2 . . . . 34 ILE HG12 . 10171 1 336 . 1 1 35 35 HIS N N 15 117.537 0.300 . 1 . . . . 35 HIS N . 10171 1 337 . 1 1 35 35 HIS H H 1 7.269 0.030 . 1 . . . . 35 HIS H . 10171 1 338 . 1 1 35 35 HIS CA C 13 55.138 0.300 . 1 . . . . 35 HIS CA . 10171 1 339 . 1 1 35 35 HIS HA H 1 4.896 0.030 . 1 . . . . 35 HIS HA . 10171 1 340 . 1 1 35 35 HIS CB C 13 28.592 0.300 . 1 . . . . 35 HIS CB . 10171 1 341 . 1 1 35 35 HIS HB3 H 1 3.365 0.030 . 2 . . . . 35 HIS HB3 . 10171 1 342 . 1 1 35 35 HIS CD2 C 13 127.905 0.300 . 1 . . . . 35 HIS CD2 . 10171 1 343 . 1 1 35 35 HIS HD2 H 1 6.798 0.030 . 1 . . . . 35 HIS HD2 . 10171 1 344 . 1 1 35 35 HIS CE1 C 13 140.194 0.300 . 1 . . . . 35 HIS CE1 . 10171 1 345 . 1 1 35 35 HIS HE1 H 1 8.092 0.030 . 1 . . . . 35 HIS HE1 . 10171 1 346 . 1 1 35 35 HIS C C 13 175.843 0.300 . 1 . . . . 35 HIS C . 10171 1 347 . 1 1 35 35 HIS HB2 H 1 3.285 0.030 . 2 . . . . 35 HIS HB2 . 10171 1 348 . 1 1 36 36 THR N N 15 111.953 0.300 . 1 . . . . 36 THR N . 10171 1 349 . 1 1 36 36 THR H H 1 7.782 0.030 . 1 . . . . 36 THR H . 10171 1 350 . 1 1 36 36 THR CA C 13 62.695 0.300 . 1 . . . . 36 THR CA . 10171 1 351 . 1 1 36 36 THR HA H 1 4.338 0.030 . 1 . . . . 36 THR HA . 10171 1 352 . 1 1 36 36 THR CB C 13 69.805 0.300 . 1 . . . . 36 THR CB . 10171 1 353 . 1 1 36 36 THR HB H 1 4.337 0.030 . 1 . . . . 36 THR HB . 10171 1 354 . 1 1 36 36 THR CG2 C 13 21.583 0.300 . 1 . . . . 36 THR CG2 . 10171 1 355 . 1 1 36 36 THR HG21 H 1 1.259 0.030 . 1 . . . . 36 THR HG2 . 10171 1 356 . 1 1 36 36 THR HG22 H 1 1.259 0.030 . 1 . . . . 36 THR HG2 . 10171 1 357 . 1 1 36 36 THR HG23 H 1 1.259 0.030 . 1 . . . . 36 THR HG2 . 10171 1 358 . 1 1 36 36 THR C C 13 175.459 0.300 . 1 . . . . 36 THR C . 10171 1 359 . 1 1 37 37 GLY N N 15 110.774 0.300 . 1 . . . . 37 GLY N . 10171 1 360 . 1 1 37 37 GLY H H 1 8.280 0.030 . 1 . . . . 37 GLY H . 10171 1 361 . 1 1 37 37 GLY CA C 13 45.403 0.300 . 1 . . . . 37 GLY CA . 10171 1 362 . 1 1 37 37 GLY HA3 H 1 3.973 0.030 . 2 . . . . 37 GLY HA3 . 10171 1 363 . 1 1 37 37 GLY C C 13 174.049 0.300 . 1 . . . . 37 GLY C . 10171 1 364 . 1 1 37 37 GLY HA2 H 1 4.038 0.030 . 2 . . . . 37 GLY HA2 . 10171 1 365 . 1 1 38 38 GLU N N 15 120.547 0.300 . 1 . . . . 38 GLU N . 10171 1 366 . 1 1 38 38 GLU H H 1 8.047 0.030 . 1 . . . . 38 GLU H . 10171 1 367 . 1 1 38 38 GLU CA C 13 56.525 0.300 . 1 . . . . 38 GLU CA . 10171 1 368 . 1 1 38 38 GLU HA H 1 4.258 0.030 . 1 . . . . 38 GLU HA . 10171 1 369 . 1 1 38 38 GLU CB C 13 30.671 0.300 . 1 . . . . 38 GLU CB . 10171 1 370 . 1 1 38 38 GLU HB3 H 1 1.933 0.030 . 2 . . . . 38 GLU HB3 . 10171 1 371 . 1 1 38 38 GLU CG C 13 36.366 0.300 . 1 . . . . 38 GLU CG . 10171 1 372 . 1 1 38 38 GLU HG3 H 1 2.280 0.030 . 2 . . . . 38 GLU HG3 . 10171 1 373 . 1 1 38 38 GLU C C 13 176.086 0.300 . 1 . . . . 38 GLU C . 10171 1 374 . 1 1 38 38 GLU HB2 H 1 2.011 0.030 . 2 . . . . 38 GLU HB2 . 10171 1 375 . 1 1 38 38 GLU HG2 H 1 2.229 0.030 . 2 . . . . 38 GLU HG2 . 10171 1 376 . 1 1 39 39 LYS N N 15 123.461 0.300 . 1 . . . . 39 LYS N . 10171 1 377 . 1 1 39 39 LYS H H 1 8.380 0.030 . 1 . . . . 39 LYS H . 10171 1 378 . 1 1 39 39 LYS CA C 13 54.014 0.300 . 1 . . . . 39 LYS CA . 10171 1 379 . 1 1 39 39 LYS HA H 1 4.634 0.030 . 1 . . . . 39 LYS HA . 10171 1 380 . 1 1 39 39 LYS CB C 13 32.650 0.300 . 1 . . . . 39 LYS CB . 10171 1 381 . 1 1 39 39 LYS HB3 H 1 1.822 0.030 . 2 . . . . 39 LYS HB3 . 10171 1 382 . 1 1 39 39 LYS CG C 13 24.515 0.300 . 1 . . . . 39 LYS CG . 10171 1 383 . 1 1 39 39 LYS HG3 H 1 1.473 0.030 . 1 . . . . 39 LYS HG3 . 10171 1 384 . 1 1 39 39 LYS CD C 13 29.146 0.300 . 1 . . . . 39 LYS CD . 10171 1 385 . 1 1 39 39 LYS HD3 H 1 1.710 0.030 . 1 . . . . 39 LYS HD3 . 10171 1 386 . 1 1 39 39 LYS CE C 13 42.273 0.300 . 1 . . . . 39 LYS CE . 10171 1 387 . 1 1 39 39 LYS HE3 H 1 2.995 0.030 . 1 . . . . 39 LYS HE3 . 10171 1 388 . 1 1 39 39 LYS C C 13 174.430 0.300 . 1 . . . . 39 LYS C . 10171 1 389 . 1 1 39 39 LYS HB2 H 1 1.720 0.030 . 2 . . . . 39 LYS HB2 . 10171 1 390 . 1 1 39 39 LYS HD2 H 1 1.710 0.030 . 1 . . . . 39 LYS HD2 . 10171 1 391 . 1 1 39 39 LYS HE2 H 1 2.995 0.030 . 1 . . . . 39 LYS HE2 . 10171 1 392 . 1 1 39 39 LYS HG2 H 1 1.473 0.030 . 1 . . . . 39 LYS HG2 . 10171 1 393 . 1 1 40 40 PRO CA C 13 63.204 0.300 . 1 . . . . 40 PRO CA . 10171 1 394 . 1 1 40 40 PRO HA H 1 4.473 0.030 . 1 . . . . 40 PRO HA . 10171 1 395 . 1 1 40 40 PRO CB C 13 32.203 0.300 . 1 . . . . 40 PRO CB . 10171 1 396 . 1 1 40 40 PRO HB3 H 1 2.320 0.030 . 2 . . . . 40 PRO HB3 . 10171 1 397 . 1 1 40 40 PRO CG C 13 27.408 0.300 . 1 . . . . 40 PRO CG . 10171 1 398 . 1 1 40 40 PRO HG3 H 1 2.028 0.030 . 1 . . . . 40 PRO HG3 . 10171 1 399 . 1 1 40 40 PRO CD C 13 50.712 0.300 . 1 . . . . 40 PRO CD . 10171 1 400 . 1 1 40 40 PRO HD3 H 1 3.652 0.030 . 2 . . . . 40 PRO HD3 . 10171 1 401 . 1 1 40 40 PRO C C 13 176.955 0.300 . 1 . . . . 40 PRO C . 10171 1 402 . 1 1 40 40 PRO HB2 H 1 1.949 0.030 . 2 . . . . 40 PRO HB2 . 10171 1 403 . 1 1 40 40 PRO HD2 H 1 3.836 0.030 . 2 . . . . 40 PRO HD2 . 10171 1 404 . 1 1 40 40 PRO HG2 H 1 2.028 0.030 . 1 . . . . 40 PRO HG2 . 10171 1 405 . 1 1 41 41 SER N N 15 116.471 0.300 . 1 . . . . 41 SER N . 10171 1 406 . 1 1 41 41 SER H H 1 8.474 0.030 . 1 . . . . 41 SER H . 10171 1 407 . 1 1 41 41 SER CA C 13 58.351 0.300 . 1 . . . . 41 SER CA . 10171 1 408 . 1 1 41 41 SER HA H 1 4.449 0.030 . 1 . . . . 41 SER HA . 10171 1 409 . 1 1 41 41 SER CB C 13 64.036 0.300 . 1 . . . . 41 SER CB . 10171 1 410 . 1 1 41 41 SER HB3 H 1 3.853 0.030 . 1 . . . . 41 SER HB3 . 10171 1 411 . 1 1 41 41 SER C C 13 174.649 0.300 . 1 . . . . 41 SER C . 10171 1 412 . 1 1 41 41 SER HB2 H 1 3.853 0.030 . 1 . . . . 41 SER HB2 . 10171 1 413 . 1 1 42 42 GLY N N 15 110.620 0.300 . 1 . . . . 42 GLY N . 10171 1 414 . 1 1 42 42 GLY H H 1 8.230 0.030 . 1 . . . . 42 GLY H . 10171 1 415 . 1 1 42 42 GLY CA C 13 44.661 0.300 . 1 . . . . 42 GLY CA . 10171 1 416 . 1 1 42 42 GLY C C 13 171.734 0.300 . 1 . . . . 42 GLY C . 10171 1 stop_ save_