################################### # 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 10189 _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 10189 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10189 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 8 8 HIS CA C 13 56.329 0.300 . 1 . . . . 8 HIS CA . 10189 1 2 . 1 1 8 8 HIS HA H 1 4.628 0.030 . 1 . . . . 8 HIS HA . 10189 1 3 . 1 1 8 8 HIS CB C 13 30.709 0.300 . 1 . . . . 8 HIS CB . 10189 1 4 . 1 1 8 8 HIS HB3 H 1 3.143 0.030 . 2 . . . . 8 HIS HB3 . 10189 1 5 . 1 1 8 8 HIS CD2 C 13 119.936 0.300 . 1 . . . . 8 HIS CD2 . 10189 1 6 . 1 1 8 8 HIS HD2 H 1 7.002 0.030 . 1 . . . . 8 HIS HD2 . 10189 1 7 . 1 1 8 8 HIS CE1 C 13 138.222 0.300 . 1 . . . . 8 HIS CE1 . 10189 1 8 . 1 1 8 8 HIS HE1 H 1 7.896 0.030 . 1 . . . . 8 HIS HE1 . 10189 1 9 . 1 1 8 8 HIS HB2 H 1 3.035 0.030 . 2 . . . . 8 HIS HB2 . 10189 1 10 . 1 1 9 9 GLY CA C 13 45.330 0.300 . 1 . . . . 9 GLY CA . 10189 1 11 . 1 1 9 9 GLY HA3 H 1 3.909 0.030 . 1 . . . . 9 GLY HA3 . 10189 1 12 . 1 1 9 9 GLY C C 13 174.145 0.300 . 1 . . . . 9 GLY C . 10189 1 13 . 1 1 9 9 GLY HA2 H 1 3.909 0.030 . 1 . . . . 9 GLY HA2 . 10189 1 14 . 1 1 10 10 GLU N N 15 120.846 0.300 . 1 . . . . 10 GLU N . 10189 1 15 . 1 1 10 10 GLU H H 1 8.353 0.030 . 1 . . . . 10 GLU H . 10189 1 16 . 1 1 10 10 GLU CA C 13 56.524 0.300 . 1 . . . . 10 GLU CA . 10189 1 17 . 1 1 10 10 GLU HA H 1 4.225 0.030 . 1 . . . . 10 GLU HA . 10189 1 18 . 1 1 10 10 GLU CB C 13 30.384 0.300 . 1 . . . . 10 GLU CB . 10189 1 19 . 1 1 10 10 GLU HB3 H 1 1.861 0.030 . 2 . . . . 10 GLU HB3 . 10189 1 20 . 1 1 10 10 GLU CG C 13 36.262 0.300 . 1 . . . . 10 GLU CG . 10189 1 21 . 1 1 10 10 GLU HG3 H 1 2.201 0.030 . 1 . . . . 10 GLU HG3 . 10189 1 22 . 1 1 10 10 GLU C C 13 176.348 0.300 . 1 . . . . 10 GLU C . 10189 1 23 . 1 1 10 10 GLU HB2 H 1 1.979 0.030 . 2 . . . . 10 GLU HB2 . 10189 1 24 . 1 1 10 10 GLU HG2 H 1 2.201 0.030 . 1 . . . . 10 GLU HG2 . 10189 1 25 . 1 1 11 11 ARG N N 15 121.539 0.300 . 1 . . . . 11 ARG N . 10189 1 26 . 1 1 11 11 ARG H H 1 8.281 0.030 . 1 . . . . 11 ARG H . 10189 1 27 . 1 1 11 11 ARG CA C 13 56.005 0.300 . 1 . . . . 11 ARG CA . 10189 1 28 . 1 1 11 11 ARG HA H 1 4.316 0.030 . 1 . . . . 11 ARG HA . 10189 1 29 . 1 1 11 11 ARG CB C 13 31.130 0.300 . 1 . . . . 11 ARG CB . 10189 1 30 . 1 1 11 11 ARG HB3 H 1 1.671 0.030 . 2 . . . . 11 ARG HB3 . 10189 1 31 . 1 1 11 11 ARG CG C 13 27.067 0.300 . 1 . . . . 11 ARG CG . 10189 1 32 . 1 1 11 11 ARG HG3 H 1 1.532 0.030 . 2 . . . . 11 ARG HG3 . 10189 1 33 . 1 1 11 11 ARG CD C 13 43.381 0.300 . 1 . . . . 11 ARG CD . 10189 1 34 . 1 1 11 11 ARG HD3 H 1 3.102 0.030 . 1 . . . . 11 ARG HD3 . 10189 1 35 . 1 1 11 11 ARG C C 13 176.001 0.300 . 1 . . . . 11 ARG C . 10189 1 36 . 1 1 11 11 ARG HB2 H 1 1.758 0.030 . 2 . . . . 11 ARG HB2 . 10189 1 37 . 1 1 11 11 ARG HD2 H 1 3.102 0.030 . 1 . . . . 11 ARG HD2 . 10189 1 38 . 1 1 11 11 ARG HG2 H 1 1.597 0.030 . 2 . . . . 11 ARG HG2 . 10189 1 39 . 1 1 12 12 GLY N N 15 107.819 0.300 . 1 . . . . 12 GLY N . 10189 1 40 . 1 1 12 12 GLY H H 1 8.075 0.030 . 1 . . . . 12 GLY H . 10189 1 41 . 1 1 12 12 GLY CA C 13 44.814 0.300 . 1 . . . . 12 GLY CA . 10189 1 42 . 1 1 12 12 GLY HA3 H 1 4.014 0.030 . 2 . . . . 12 GLY HA3 . 10189 1 43 . 1 1 12 12 GLY C C 13 172.193 0.300 . 1 . . . . 12 GLY C . 10189 1 44 . 1 1 12 12 GLY HA2 H 1 3.651 0.030 . 2 . . . . 12 GLY HA2 . 10189 1 45 . 1 1 13 13 HIS N N 15 119.279 0.300 . 1 . . . . 13 HIS N . 10189 1 46 . 1 1 13 13 HIS H H 1 8.024 0.030 . 1 . . . . 13 HIS H . 10189 1 47 . 1 1 13 13 HIS CA C 13 55.118 0.300 . 1 . . . . 13 HIS CA . 10189 1 48 . 1 1 13 13 HIS HA H 1 4.235 0.030 . 1 . . . . 13 HIS HA . 10189 1 49 . 1 1 13 13 HIS CB C 13 31.866 0.300 . 1 . . . . 13 HIS CB . 10189 1 50 . 1 1 13 13 HIS HB3 H 1 1.415 0.030 . 2 . . . . 13 HIS HB3 . 10189 1 51 . 1 1 13 13 HIS CD2 C 13 121.298 0.300 . 1 . . . . 13 HIS CD2 . 10189 1 52 . 1 1 13 13 HIS HD2 H 1 6.363 0.030 . 1 . . . . 13 HIS HD2 . 10189 1 53 . 1 1 13 13 HIS CE1 C 13 138.600 0.300 . 1 . . . . 13 HIS CE1 . 10189 1 54 . 1 1 13 13 HIS HE1 H 1 7.673 0.030 . 1 . . . . 13 HIS HE1 . 10189 1 55 . 1 1 13 13 HIS C C 13 173.211 0.300 . 1 . . . . 13 HIS C . 10189 1 56 . 1 1 13 13 HIS HB2 H 1 2.178 0.030 . 2 . . . . 13 HIS HB2 . 10189 1 57 . 1 1 14 14 ARG N N 15 124.116 0.300 . 1 . . . . 14 ARG N . 10189 1 58 . 1 1 14 14 ARG H H 1 8.606 0.030 . 1 . . . . 14 ARG H . 10189 1 59 . 1 1 14 14 ARG CA C 13 54.263 0.300 . 1 . . . . 14 ARG CA . 10189 1 60 . 1 1 14 14 ARG HA H 1 4.820 0.030 . 1 . . . . 14 ARG HA . 10189 1 61 . 1 1 14 14 ARG CB C 13 32.523 0.300 . 1 . . . . 14 ARG CB . 10189 1 62 . 1 1 14 14 ARG HB3 H 1 1.670 0.030 . 2 . . . . 14 ARG HB3 . 10189 1 63 . 1 1 14 14 ARG CG C 13 27.700 0.300 . 1 . . . . 14 ARG CG . 10189 1 64 . 1 1 14 14 ARG HG3 H 1 1.087 0.030 . 2 . . . . 14 ARG HG3 . 10189 1 65 . 1 1 14 14 ARG CD C 13 43.092 0.300 . 1 . . . . 14 ARG CD . 10189 1 66 . 1 1 14 14 ARG HD3 H 1 3.042 0.030 . 2 . . . . 14 ARG HD3 . 10189 1 67 . 1 1 14 14 ARG C C 13 175.690 0.300 . 1 . . . . 14 ARG C . 10189 1 68 . 1 1 14 14 ARG HB2 H 1 1.505 0.030 . 2 . . . . 14 ARG HB2 . 10189 1 69 . 1 1 14 14 ARG HD2 H 1 3.137 0.030 . 2 . . . . 14 ARG HD2 . 10189 1 70 . 1 1 14 14 ARG HG2 H 1 1.223 0.030 . 2 . . . . 14 ARG HG2 . 10189 1 71 . 1 1 15 15 CYS N N 15 128.999 0.300 . 1 . . . . 15 CYS N . 10189 1 72 . 1 1 15 15 CYS H H 1 9.354 0.030 . 1 . . . . 15 CYS H . 10189 1 73 . 1 1 15 15 CYS CA C 13 59.902 0.300 . 1 . . . . 15 CYS CA . 10189 1 74 . 1 1 15 15 CYS HA H 1 4.843 0.030 . 1 . . . . 15 CYS HA . 10189 1 75 . 1 1 15 15 CYS CB C 13 30.080 0.300 . 1 . . . . 15 CYS CB . 10189 1 76 . 1 1 15 15 CYS HB3 H 1 3.107 0.030 . 2 . . . . 15 CYS HB3 . 10189 1 77 . 1 1 15 15 CYS C C 13 177.294 0.300 . 1 . . . . 15 CYS C . 10189 1 78 . 1 1 15 15 CYS HB2 H 1 3.548 0.030 . 2 . . . . 15 CYS HB2 . 10189 1 79 . 1 1 16 16 SER CA C 13 61.138 0.300 . 1 . . . . 16 SER CA . 10189 1 80 . 1 1 16 16 SER HA H 1 4.245 0.030 . 1 . . . . 16 SER HA . 10189 1 81 . 1 1 16 16 SER CB C 13 63.060 0.300 . 1 . . . . 16 SER CB . 10189 1 82 . 1 1 16 16 SER HB3 H 1 4.041 0.030 . 2 . . . . 16 SER HB3 . 10189 1 83 . 1 1 16 16 SER C C 13 174.763 0.300 . 1 . . . . 16 SER C . 10189 1 84 . 1 1 16 16 SER HB2 H 1 3.979 0.030 . 2 . . . . 16 SER HB2 . 10189 1 85 . 1 1 17 17 ASP N N 15 121.918 0.300 . 1 . . . . 17 ASP N . 10189 1 86 . 1 1 17 17 ASP H H 1 8.415 0.030 . 1 . . . . 17 ASP H . 10189 1 87 . 1 1 17 17 ASP CA C 13 57.173 0.300 . 1 . . . . 17 ASP CA . 10189 1 88 . 1 1 17 17 ASP HA H 1 4.602 0.030 . 1 . . . . 17 ASP HA . 10189 1 89 . 1 1 17 17 ASP CB C 13 41.250 0.300 . 1 . . . . 17 ASP CB . 10189 1 90 . 1 1 17 17 ASP HB3 H 1 1.937 0.030 . 2 . . . . 17 ASP HB3 . 10189 1 91 . 1 1 17 17 ASP C C 13 176.420 0.300 . 1 . . . . 17 ASP C . 10189 1 92 . 1 1 17 17 ASP HB2 H 1 1.273 0.030 . 2 . . . . 17 ASP HB2 . 10189 1 93 . 1 1 18 18 CYS N N 15 114.553 0.300 . 1 . . . . 18 CYS N . 10189 1 94 . 1 1 18 18 CYS H H 1 7.796 0.030 . 1 . . . . 18 CYS H . 10189 1 95 . 1 1 18 18 CYS CA C 13 58.608 0.300 . 1 . . . . 18 CYS CA . 10189 1 96 . 1 1 18 18 CYS HA H 1 5.206 0.030 . 1 . . . . 18 CYS HA . 10189 1 97 . 1 1 18 18 CYS CB C 13 32.187 0.300 . 1 . . . . 18 CYS CB . 10189 1 98 . 1 1 18 18 CYS HB3 H 1 3.468 0.030 . 2 . . . . 18 CYS HB3 . 10189 1 99 . 1 1 18 18 CYS C C 13 176.107 0.300 . 1 . . . . 18 CYS C . 10189 1 100 . 1 1 18 18 CYS HB2 H 1 2.982 0.030 . 2 . . . . 18 CYS HB2 . 10189 1 101 . 1 1 19 19 GLY N N 15 113.601 0.300 . 1 . . . . 19 GLY N . 10189 1 102 . 1 1 19 19 GLY H H 1 8.268 0.030 . 1 . . . . 19 GLY H . 10189 1 103 . 1 1 19 19 GLY CA C 13 46.294 0.300 . 1 . . . . 19 GLY CA . 10189 1 104 . 1 1 19 19 GLY HA3 H 1 4.251 0.030 . 2 . . . . 19 GLY HA3 . 10189 1 105 . 1 1 19 19 GLY C C 13 173.687 0.300 . 1 . . . . 19 GLY C . 10189 1 106 . 1 1 19 19 GLY HA2 H 1 3.794 0.030 . 2 . . . . 19 GLY HA2 . 10189 1 107 . 1 1 20 20 LYS N N 15 121.922 0.300 . 1 . . . . 20 LYS N . 10189 1 108 . 1 1 20 20 LYS H H 1 7.833 0.030 . 1 . . . . 20 LYS H . 10189 1 109 . 1 1 20 20 LYS CA C 13 58.157 0.300 . 1 . . . . 20 LYS CA . 10189 1 110 . 1 1 20 20 LYS HA H 1 4.133 0.030 . 1 . . . . 20 LYS HA . 10189 1 111 . 1 1 20 20 LYS CB C 13 34.348 0.300 . 1 . . . . 20 LYS CB . 10189 1 112 . 1 1 20 20 LYS HB3 H 1 1.399 0.030 . 2 . . . . 20 LYS HB3 . 10189 1 113 . 1 1 20 20 LYS CG C 13 26.614 0.300 . 1 . . . . 20 LYS CG . 10189 1 114 . 1 1 20 20 LYS HG3 H 1 1.207 0.030 . 2 . . . . 20 LYS HG3 . 10189 1 115 . 1 1 20 20 LYS CD C 13 29.356 0.300 . 1 . . . . 20 LYS CD . 10189 1 116 . 1 1 20 20 LYS HD3 H 1 1.547 0.030 . 2 . . . . 20 LYS HD3 . 10189 1 117 . 1 1 20 20 LYS CE C 13 42.247 0.300 . 1 . . . . 20 LYS CE . 10189 1 118 . 1 1 20 20 LYS HE3 H 1 2.986 0.030 . 2 . . . . 20 LYS HE3 . 10189 1 119 . 1 1 20 20 LYS C C 13 174.006 0.300 . 1 . . . . 20 LYS C . 10189 1 120 . 1 1 20 20 LYS HB2 H 1 1.544 0.030 . 2 . . . . 20 LYS HB2 . 10189 1 121 . 1 1 20 20 LYS HD2 H 1 1.617 0.030 . 2 . . . . 20 LYS HD2 . 10189 1 122 . 1 1 20 20 LYS HE2 H 1 3.005 0.030 . 2 . . . . 20 LYS HE2 . 10189 1 123 . 1 1 20 20 LYS HG2 H 1 1.585 0.030 . 2 . . . . 20 LYS HG2 . 10189 1 124 . 1 1 21 21 PHE N N 15 121.592 0.300 . 1 . . . . 21 PHE N . 10189 1 125 . 1 1 21 21 PHE H H 1 8.197 0.030 . 1 . . . . 21 PHE H . 10189 1 126 . 1 1 21 21 PHE CA C 13 57.064 0.300 . 1 . . . . 21 PHE CA . 10189 1 127 . 1 1 21 21 PHE HA H 1 5.118 0.030 . 1 . . . . 21 PHE HA . 10189 1 128 . 1 1 21 21 PHE CB C 13 42.295 0.300 . 1 . . . . 21 PHE CB . 10189 1 129 . 1 1 21 21 PHE HB3 H 1 2.759 0.030 . 2 . . . . 21 PHE HB3 . 10189 1 130 . 1 1 21 21 PHE CD1 C 13 131.756 0.300 . 1 . . . . 21 PHE CD1 . 10189 1 131 . 1 1 21 21 PHE HD1 H 1 6.915 0.030 . 1 . . . . 21 PHE HD1 . 10189 1 132 . 1 1 21 21 PHE CD2 C 13 131.756 0.300 . 1 . . . . 21 PHE CD2 . 10189 1 133 . 1 1 21 21 PHE HD2 H 1 6.915 0.030 . 1 . . . . 21 PHE HD2 . 10189 1 134 . 1 1 21 21 PHE CE1 C 13 131.152 0.300 . 1 . . . . 21 PHE CE1 . 10189 1 135 . 1 1 21 21 PHE HE1 H 1 7.180 0.030 . 1 . . . . 21 PHE HE1 . 10189 1 136 . 1 1 21 21 PHE CE2 C 13 131.152 0.300 . 1 . . . . 21 PHE CE2 . 10189 1 137 . 1 1 21 21 PHE HE2 H 1 7.180 0.030 . 1 . . . . 21 PHE HE2 . 10189 1 138 . 1 1 21 21 PHE CZ C 13 129.315 0.300 . 1 . . . . 21 PHE CZ . 10189 1 139 . 1 1 21 21 PHE HZ H 1 7.128 0.030 . 1 . . . . 21 PHE HZ . 10189 1 140 . 1 1 21 21 PHE C C 13 174.756 0.300 . 1 . . . . 21 PHE C . 10189 1 141 . 1 1 21 21 PHE HB2 H 1 2.797 0.030 . 2 . . . . 21 PHE HB2 . 10189 1 142 . 1 1 22 22 PHE N N 15 122.744 0.300 . 1 . . . . 22 PHE N . 10189 1 143 . 1 1 22 22 PHE H H 1 8.535 0.030 . 1 . . . . 22 PHE H . 10189 1 144 . 1 1 22 22 PHE CA C 13 56.937 0.300 . 1 . . . . 22 PHE CA . 10189 1 145 . 1 1 22 22 PHE HA H 1 4.467 0.030 . 1 . . . . 22 PHE HA . 10189 1 146 . 1 1 22 22 PHE CB C 13 42.745 0.300 . 1 . . . . 22 PHE CB . 10189 1 147 . 1 1 22 22 PHE HB3 H 1 3.140 0.030 . 2 . . . . 22 PHE HB3 . 10189 1 148 . 1 1 22 22 PHE CD1 C 13 132.140 0.300 . 1 . . . . 22 PHE CD1 . 10189 1 149 . 1 1 22 22 PHE HD1 H 1 7.275 0.030 . 1 . . . . 22 PHE HD1 . 10189 1 150 . 1 1 22 22 PHE CD2 C 13 132.140 0.300 . 1 . . . . 22 PHE CD2 . 10189 1 151 . 1 1 22 22 PHE HD2 H 1 7.275 0.030 . 1 . . . . 22 PHE HD2 . 10189 1 152 . 1 1 22 22 PHE CE1 C 13 130.816 0.300 . 1 . . . . 22 PHE CE1 . 10189 1 153 . 1 1 22 22 PHE HE1 H 1 6.845 0.030 . 1 . . . . 22 PHE HE1 . 10189 1 154 . 1 1 22 22 PHE CE2 C 13 130.816 0.300 . 1 . . . . 22 PHE CE2 . 10189 1 155 . 1 1 22 22 PHE HE2 H 1 6.845 0.030 . 1 . . . . 22 PHE HE2 . 10189 1 156 . 1 1 22 22 PHE CZ C 13 128.849 0.300 . 1 . . . . 22 PHE CZ . 10189 1 157 . 1 1 22 22 PHE HZ H 1 6.312 0.030 . 1 . . . . 22 PHE HZ . 10189 1 158 . 1 1 22 22 PHE C C 13 174.570 0.300 . 1 . . . . 22 PHE C . 10189 1 159 . 1 1 22 22 PHE HB2 H 1 2.648 0.030 . 2 . . . . 22 PHE HB2 . 10189 1 160 . 1 1 23 23 LEU N N 15 124.547 0.300 . 1 . . . . 23 LEU N . 10189 1 161 . 1 1 23 23 LEU H H 1 8.632 0.030 . 1 . . . . 23 LEU H . 10189 1 162 . 1 1 23 23 LEU CA C 13 57.016 0.300 . 1 . . . . 23 LEU CA . 10189 1 163 . 1 1 23 23 LEU HA H 1 4.190 0.030 . 1 . . . . 23 LEU HA . 10189 1 164 . 1 1 23 23 LEU CB C 13 43.006 0.300 . 1 . . . . 23 LEU CB . 10189 1 165 . 1 1 23 23 LEU HB3 H 1 1.695 0.030 . 2 . . . . 23 LEU HB3 . 10189 1 166 . 1 1 23 23 LEU CG C 13 27.428 0.300 . 1 . . . . 23 LEU CG . 10189 1 167 . 1 1 23 23 LEU HG H 1 1.704 0.030 . 1 . . . . 23 LEU HG . 10189 1 168 . 1 1 23 23 LEU CD1 C 13 24.650 0.300 . 2 . . . . 23 LEU CD1 . 10189 1 169 . 1 1 23 23 LEU HD11 H 1 0.987 0.030 . 1 . . . . 23 LEU HD1 . 10189 1 170 . 1 1 23 23 LEU HD12 H 1 0.987 0.030 . 1 . . . . 23 LEU HD1 . 10189 1 171 . 1 1 23 23 LEU HD13 H 1 0.987 0.030 . 1 . . . . 23 LEU HD1 . 10189 1 172 . 1 1 23 23 LEU CD2 C 13 23.930 0.300 . 2 . . . . 23 LEU CD2 . 10189 1 173 . 1 1 23 23 LEU HD21 H 1 0.936 0.030 . 1 . . . . 23 LEU HD2 . 10189 1 174 . 1 1 23 23 LEU HD22 H 1 0.936 0.030 . 1 . . . . 23 LEU HD2 . 10189 1 175 . 1 1 23 23 LEU HD23 H 1 0.936 0.030 . 1 . . . . 23 LEU HD2 . 10189 1 176 . 1 1 23 23 LEU C C 13 177.399 0.300 . 1 . . . . 23 LEU C . 10189 1 177 . 1 1 23 23 LEU HB2 H 1 1.781 0.030 . 2 . . . . 23 LEU HB2 . 10189 1 178 . 1 1 24 24 GLN N N 15 115.779 0.300 . 1 . . . . 24 GLN N . 10189 1 179 . 1 1 24 24 GLN H H 1 8.246 0.030 . 1 . . . . 24 GLN H . 10189 1 180 . 1 1 24 24 GLN CA C 13 54.687 0.300 . 1 . . . . 24 GLN CA . 10189 1 181 . 1 1 24 24 GLN HA H 1 4.787 0.030 . 1 . . . . 24 GLN HA . 10189 1 182 . 1 1 24 24 GLN CB C 13 29.974 0.300 . 1 . . . . 24 GLN CB . 10189 1 183 . 1 1 24 24 GLN HB3 H 1 2.187 0.030 . 2 . . . . 24 GLN HB3 . 10189 1 184 . 1 1 24 24 GLN CG C 13 33.702 0.300 . 1 . . . . 24 GLN CG . 10189 1 185 . 1 1 24 24 GLN HG3 H 1 2.484 0.030 . 1 . . . . 24 GLN HG3 . 10189 1 186 . 1 1 24 24 GLN NE2 N 15 112.188 0.300 . 1 . . . . 24 GLN NE2 . 10189 1 187 . 1 1 24 24 GLN HE21 H 1 7.577 0.030 . 2 . . . . 24 GLN HE21 . 10189 1 188 . 1 1 24 24 GLN HE22 H 1 6.942 0.030 . 2 . . . . 24 GLN HE22 . 10189 1 189 . 1 1 24 24 GLN C C 13 176.712 0.300 . 1 . . . . 24 GLN C . 10189 1 190 . 1 1 24 24 GLN HB2 H 1 2.285 0.030 . 2 . . . . 24 GLN HB2 . 10189 1 191 . 1 1 24 24 GLN HG2 H 1 2.484 0.030 . 1 . . . . 24 GLN HG2 . 10189 1 192 . 1 1 25 25 ALA CA C 13 55.575 0.300 . 1 . . . . 25 ALA CA . 10189 1 193 . 1 1 25 25 ALA HA H 1 3.542 0.030 . 1 . . . . 25 ALA HA . 10189 1 194 . 1 1 25 25 ALA CB C 13 18.019 0.300 . 1 . . . . 25 ALA CB . 10189 1 195 . 1 1 25 25 ALA HB1 H 1 1.429 0.030 . 1 . . . . 25 ALA HB . 10189 1 196 . 1 1 25 25 ALA HB2 H 1 1.429 0.030 . 1 . . . . 25 ALA HB . 10189 1 197 . 1 1 25 25 ALA HB3 H 1 1.429 0.030 . 1 . . . . 25 ALA HB . 10189 1 198 . 1 1 25 25 ALA C C 13 179.282 0.300 . 1 . . . . 25 ALA C . 10189 1 199 . 1 1 26 26 SER N N 15 111.647 0.300 . 1 . . . . 26 SER N . 10189 1 200 . 1 1 26 26 SER H H 1 8.886 0.030 . 1 . . . . 26 SER H . 10189 1 201 . 1 1 26 26 SER CA C 13 61.362 0.300 . 1 . . . . 26 SER CA . 10189 1 202 . 1 1 26 26 SER HA H 1 4.039 0.030 . 1 . . . . 26 SER HA . 10189 1 203 . 1 1 26 26 SER CB C 13 61.561 0.300 . 1 . . . . 26 SER CB . 10189 1 204 . 1 1 26 26 SER HB3 H 1 3.895 0.030 . 1 . . . . 26 SER HB3 . 10189 1 205 . 1 1 26 26 SER C C 13 177.406 0.300 . 1 . . . . 26 SER C . 10189 1 206 . 1 1 26 26 SER HB2 H 1 3.895 0.030 . 1 . . . . 26 SER HB2 . 10189 1 207 . 1 1 27 27 ASN N N 15 119.503 0.300 . 1 . . . . 27 ASN N . 10189 1 208 . 1 1 27 27 ASN H H 1 7.021 0.030 . 1 . . . . 27 ASN H . 10189 1 209 . 1 1 27 27 ASN CA C 13 55.428 0.300 . 1 . . . . 27 ASN CA . 10189 1 210 . 1 1 27 27 ASN HA H 1 4.575 0.030 . 1 . . . . 27 ASN HA . 10189 1 211 . 1 1 27 27 ASN CB C 13 38.410 0.300 . 1 . . . . 27 ASN CB . 10189 1 212 . 1 1 27 27 ASN HB3 H 1 3.033 0.030 . 2 . . . . 27 ASN HB3 . 10189 1 213 . 1 1 27 27 ASN ND2 N 15 113.606 0.300 . 1 . . . . 27 ASN ND2 . 10189 1 214 . 1 1 27 27 ASN HD21 H 1 7.237 0.030 . 2 . . . . 27 ASN HD21 . 10189 1 215 . 1 1 27 27 ASN HD22 H 1 8.062 0.030 . 2 . . . . 27 ASN HD22 . 10189 1 216 . 1 1 27 27 ASN C C 13 177.285 0.300 . 1 . . . . 27 ASN C . 10189 1 217 . 1 1 27 27 ASN HB2 H 1 3.110 0.030 . 2 . . . . 27 ASN HB2 . 10189 1 218 . 1 1 28 28 PHE N N 15 123.068 0.300 . 1 . . . . 28 PHE N . 10189 1 219 . 1 1 28 28 PHE H H 1 7.786 0.030 . 1 . . . . 28 PHE H . 10189 1 220 . 1 1 28 28 PHE CA C 13 60.488 0.300 . 1 . . . . 28 PHE CA . 10189 1 221 . 1 1 28 28 PHE HA H 1 3.240 0.030 . 1 . . . . 28 PHE HA . 10189 1 222 . 1 1 28 28 PHE CB C 13 38.809 0.300 . 1 . . . . 28 PHE CB . 10189 1 223 . 1 1 28 28 PHE HB3 H 1 2.971 0.030 . 2 . . . . 28 PHE HB3 . 10189 1 224 . 1 1 28 28 PHE CD1 C 13 131.811 0.300 . 1 . . . . 28 PHE CD1 . 10189 1 225 . 1 1 28 28 PHE HD1 H 1 6.928 0.030 . 1 . . . . 28 PHE HD1 . 10189 1 226 . 1 1 28 28 PHE CD2 C 13 131.811 0.300 . 1 . . . . 28 PHE CD2 . 10189 1 227 . 1 1 28 28 PHE HD2 H 1 6.928 0.030 . 1 . . . . 28 PHE HD2 . 10189 1 228 . 1 1 28 28 PHE CE1 C 13 130.867 0.300 . 1 . . . . 28 PHE CE1 . 10189 1 229 . 1 1 28 28 PHE HE1 H 1 7.222 0.030 . 1 . . . . 28 PHE HE1 . 10189 1 230 . 1 1 28 28 PHE CE2 C 13 130.867 0.300 . 1 . . . . 28 PHE CE2 . 10189 1 231 . 1 1 28 28 PHE HE2 H 1 7.222 0.030 . 1 . . . . 28 PHE HE2 . 10189 1 232 . 1 1 28 28 PHE CZ C 13 130.756 0.300 . 1 . . . . 28 PHE CZ . 10189 1 233 . 1 1 28 28 PHE HZ H 1 7.532 0.030 . 1 . . . . 28 PHE HZ . 10189 1 234 . 1 1 28 28 PHE C C 13 175.850 0.300 . 1 . . . . 28 PHE C . 10189 1 235 . 1 1 28 28 PHE HB2 H 1 2.777 0.030 . 2 . . . . 28 PHE HB2 . 10189 1 236 . 1 1 29 29 ILE N N 15 119.421 0.300 . 1 . . . . 29 ILE N . 10189 1 237 . 1 1 29 29 ILE H H 1 8.501 0.030 . 1 . . . . 29 ILE H . 10189 1 238 . 1 1 29 29 ILE CA C 13 64.558 0.300 . 1 . . . . 29 ILE CA . 10189 1 239 . 1 1 29 29 ILE HA H 1 3.221 0.030 . 1 . . . . 29 ILE HA . 10189 1 240 . 1 1 29 29 ILE CB C 13 37.818 0.300 . 1 . . . . 29 ILE CB . 10189 1 241 . 1 1 29 29 ILE HB H 1 1.786 0.030 . 1 . . . . 29 ILE HB . 10189 1 242 . 1 1 29 29 ILE CG1 C 13 29.112 0.300 . 1 . . . . 29 ILE CG1 . 10189 1 243 . 1 1 29 29 ILE HG13 H 1 1.617 0.030 . 2 . . . . 29 ILE HG13 . 10189 1 244 . 1 1 29 29 ILE CG2 C 13 17.083 0.300 . 1 . . . . 29 ILE CG2 . 10189 1 245 . 1 1 29 29 ILE HG21 H 1 0.822 0.030 . 1 . . . . 29 ILE HG2 . 10189 1 246 . 1 1 29 29 ILE HG22 H 1 0.822 0.030 . 1 . . . . 29 ILE HG2 . 10189 1 247 . 1 1 29 29 ILE HG23 H 1 0.822 0.030 . 1 . . . . 29 ILE HG2 . 10189 1 248 . 1 1 29 29 ILE CD1 C 13 12.494 0.300 . 1 . . . . 29 ILE CD1 . 10189 1 249 . 1 1 29 29 ILE HD11 H 1 0.777 0.030 . 1 . . . . 29 ILE HD1 . 10189 1 250 . 1 1 29 29 ILE HD12 H 1 0.777 0.030 . 1 . . . . 29 ILE HD1 . 10189 1 251 . 1 1 29 29 ILE HD13 H 1 0.777 0.030 . 1 . . . . 29 ILE HD1 . 10189 1 252 . 1 1 29 29 ILE C C 13 178.885 0.300 . 1 . . . . 29 ILE C . 10189 1 253 . 1 1 29 29 ILE HG12 H 1 1.197 0.030 . 2 . . . . 29 ILE HG12 . 10189 1 254 . 1 1 30 30 GLN N N 15 117.482 0.300 . 1 . . . . 30 GLN N . 10189 1 255 . 1 1 30 30 GLN H H 1 7.343 0.030 . 1 . . . . 30 GLN H . 10189 1 256 . 1 1 30 30 GLN CA C 13 58.656 0.300 . 1 . . . . 30 GLN CA . 10189 1 257 . 1 1 30 30 GLN HA H 1 3.885 0.030 . 1 . . . . 30 GLN HA . 10189 1 258 . 1 1 30 30 GLN CB C 13 28.460 0.300 . 1 . . . . 30 GLN CB . 10189 1 259 . 1 1 30 30 GLN HB3 H 1 2.072 0.030 . 1 . . . . 30 GLN HB3 . 10189 1 260 . 1 1 30 30 GLN CG C 13 33.678 0.300 . 1 . . . . 30 GLN CG . 10189 1 261 . 1 1 30 30 GLN HG3 H 1 2.392 0.030 . 2 . . . . 30 GLN HG3 . 10189 1 262 . 1 1 30 30 GLN NE2 N 15 112.170 0.300 . 1 . . . . 30 GLN NE2 . 10189 1 263 . 1 1 30 30 GLN HE21 H 1 7.421 0.030 . 2 . . . . 30 GLN HE21 . 10189 1 264 . 1 1 30 30 GLN HE22 H 1 6.872 0.030 . 2 . . . . 30 GLN HE22 . 10189 1 265 . 1 1 30 30 GLN C C 13 178.347 0.300 . 1 . . . . 30 GLN C . 10189 1 266 . 1 1 30 30 GLN HB2 H 1 2.072 0.030 . 1 . . . . 30 GLN HB2 . 10189 1 267 . 1 1 30 30 GLN HG2 H 1 2.465 0.030 . 2 . . . . 30 GLN HG2 . 10189 1 268 . 1 1 31 31 HIS N N 15 119.125 0.300 . 1 . . . . 31 HIS N . 10189 1 269 . 1 1 31 31 HIS H H 1 7.738 0.030 . 1 . . . . 31 HIS H . 10189 1 270 . 1 1 31 31 HIS CA C 13 59.348 0.300 . 1 . . . . 31 HIS CA . 10189 1 271 . 1 1 31 31 HIS HA H 1 4.052 0.030 . 1 . . . . 31 HIS HA . 10189 1 272 . 1 1 31 31 HIS CB C 13 28.129 0.300 . 1 . . . . 31 HIS CB . 10189 1 273 . 1 1 31 31 HIS HB3 H 1 2.729 0.030 . 2 . . . . 31 HIS HB3 . 10189 1 274 . 1 1 31 31 HIS CD2 C 13 126.518 0.300 . 1 . . . . 31 HIS CD2 . 10189 1 275 . 1 1 31 31 HIS HD2 H 1 6.637 0.030 . 1 . . . . 31 HIS HD2 . 10189 1 276 . 1 1 31 31 HIS CE1 C 13 139.771 0.300 . 1 . . . . 31 HIS CE1 . 10189 1 277 . 1 1 31 31 HIS HE1 H 1 8.122 0.030 . 1 . . . . 31 HIS HE1 . 10189 1 278 . 1 1 31 31 HIS C C 13 176.394 0.300 . 1 . . . . 31 HIS C . 10189 1 279 . 1 1 31 31 HIS HB2 H 1 2.848 0.030 . 2 . . . . 31 HIS HB2 . 10189 1 280 . 1 1 32 32 ARG N N 15 115.404 0.300 . 1 . . . . 32 ARG N . 10189 1 281 . 1 1 32 32 ARG H H 1 7.920 0.030 . 1 . . . . 32 ARG H . 10189 1 282 . 1 1 32 32 ARG CA C 13 58.191 0.300 . 1 . . . . 32 ARG CA . 10189 1 283 . 1 1 32 32 ARG HA H 1 3.510 0.030 . 1 . . . . 32 ARG HA . 10189 1 284 . 1 1 32 32 ARG CB C 13 28.088 0.300 . 1 . . . . 32 ARG CB . 10189 1 285 . 1 1 32 32 ARG HB3 H 1 1.646 0.030 . 2 . . . . 32 ARG HB3 . 10189 1 286 . 1 1 32 32 ARG CG C 13 25.775 0.300 . 1 . . . . 32 ARG CG . 10189 1 287 . 1 1 32 32 ARG HG3 H 1 1.196 0.030 . 2 . . . . 32 ARG HG3 . 10189 1 288 . 1 1 32 32 ARG CD C 13 42.009 0.300 . 1 . . . . 32 ARG CD . 10189 1 289 . 1 1 32 32 ARG HD3 H 1 3.040 0.030 . 2 . . . . 32 ARG HD3 . 10189 1 290 . 1 1 32 32 ARG C C 13 177.828 0.300 . 1 . . . . 32 ARG C . 10189 1 291 . 1 1 32 32 ARG HB2 H 1 1.733 0.030 . 2 . . . . 32 ARG HB2 . 10189 1 292 . 1 1 32 32 ARG HD2 H 1 3.110 0.030 . 2 . . . . 32 ARG HD2 . 10189 1 293 . 1 1 32 32 ARG HG2 H 1 1.268 0.030 . 2 . . . . 32 ARG HG2 . 10189 1 294 . 1 1 33 33 ARG N N 15 116.284 0.300 . 1 . . . . 33 ARG N . 10189 1 295 . 1 1 33 33 ARG H H 1 7.025 0.030 . 1 . . . . 33 ARG H . 10189 1 296 . 1 1 33 33 ARG CA C 13 58.538 0.300 . 1 . . . . 33 ARG CA . 10189 1 297 . 1 1 33 33 ARG HA H 1 4.094 0.030 . 1 . . . . 33 ARG HA . 10189 1 298 . 1 1 33 33 ARG CB C 13 29.994 0.300 . 1 . . . . 33 ARG CB . 10189 1 299 . 1 1 33 33 ARG HB3 H 1 1.752 0.030 . 2 . . . . 33 ARG HB3 . 10189 1 300 . 1 1 33 33 ARG CG C 13 27.784 0.300 . 1 . . . . 33 ARG CG . 10189 1 301 . 1 1 33 33 ARG HG3 H 1 1.569 0.030 . 2 . . . . 33 ARG HG3 . 10189 1 302 . 1 1 33 33 ARG CD C 13 43.577 0.300 . 1 . . . . 33 ARG CD . 10189 1 303 . 1 1 33 33 ARG HD3 H 1 3.135 0.030 . 1 . . . . 33 ARG HD3 . 10189 1 304 . 1 1 33 33 ARG C C 13 178.632 0.300 . 1 . . . . 33 ARG C . 10189 1 305 . 1 1 33 33 ARG HB2 H 1 1.841 0.030 . 2 . . . . 33 ARG HB2 . 10189 1 306 . 1 1 33 33 ARG HD2 H 1 3.135 0.030 . 1 . . . . 33 ARG HD2 . 10189 1 307 . 1 1 33 33 ARG HG2 H 1 1.793 0.030 . 2 . . . . 33 ARG HG2 . 10189 1 308 . 1 1 34 34 ILE N N 15 116.774 0.300 . 1 . . . . 34 ILE N . 10189 1 309 . 1 1 34 34 ILE H H 1 7.715 0.030 . 1 . . . . 34 ILE H . 10189 1 310 . 1 1 34 34 ILE CA C 13 63.294 0.300 . 1 . . . . 34 ILE CA . 10189 1 311 . 1 1 34 34 ILE HA H 1 3.886 0.030 . 1 . . . . 34 ILE HA . 10189 1 312 . 1 1 34 34 ILE CB C 13 37.481 0.300 . 1 . . . . 34 ILE CB . 10189 1 313 . 1 1 34 34 ILE HB H 1 1.610 0.030 . 1 . . . . 34 ILE HB . 10189 1 314 . 1 1 34 34 ILE CG1 C 13 26.781 0.300 . 1 . . . . 34 ILE CG1 . 10189 1 315 . 1 1 34 34 ILE HG13 H 1 0.756 0.030 . 2 . . . . 34 ILE HG13 . 10189 1 316 . 1 1 34 34 ILE CG2 C 13 16.442 0.300 . 1 . . . . 34 ILE CG2 . 10189 1 317 . 1 1 34 34 ILE HG21 H 1 0.563 0.030 . 1 . . . . 34 ILE HG2 . 10189 1 318 . 1 1 34 34 ILE HG22 H 1 0.563 0.030 . 1 . . . . 34 ILE HG2 . 10189 1 319 . 1 1 34 34 ILE HG23 H 1 0.563 0.030 . 1 . . . . 34 ILE HG2 . 10189 1 320 . 1 1 34 34 ILE CD1 C 13 14.092 0.300 . 1 . . . . 34 ILE CD1 . 10189 1 321 . 1 1 34 34 ILE HD11 H 1 0.674 0.030 . 1 . . . . 34 ILE HD1 . 10189 1 322 . 1 1 34 34 ILE HD12 H 1 0.674 0.030 . 1 . . . . 34 ILE HD1 . 10189 1 323 . 1 1 34 34 ILE HD13 H 1 0.674 0.030 . 1 . . . . 34 ILE HD1 . 10189 1 324 . 1 1 34 34 ILE C C 13 177.422 0.300 . 1 . . . . 34 ILE C . 10189 1 325 . 1 1 34 34 ILE HG12 H 1 0.930 0.030 . 2 . . . . 34 ILE HG12 . 10189 1 326 . 1 1 35 35 HIS N N 15 117.061 0.300 . 1 . . . . 35 HIS N . 10189 1 327 . 1 1 35 35 HIS H H 1 7.143 0.030 . 1 . . . . 35 HIS H . 10189 1 328 . 1 1 35 35 HIS CA C 13 55.554 0.300 . 1 . . . . 35 HIS CA . 10189 1 329 . 1 1 35 35 HIS HA H 1 4.798 0.030 . 1 . . . . 35 HIS HA . 10189 1 330 . 1 1 35 35 HIS CB C 13 28.994 0.300 . 1 . . . . 35 HIS CB . 10189 1 331 . 1 1 35 35 HIS HB3 H 1 3.237 0.030 . 2 . . . . 35 HIS HB3 . 10189 1 332 . 1 1 35 35 HIS CD2 C 13 128.453 0.300 . 1 . . . . 35 HIS CD2 . 10189 1 333 . 1 1 35 35 HIS HD2 H 1 6.629 0.030 . 1 . . . . 35 HIS HD2 . 10189 1 334 . 1 1 35 35 HIS CE1 C 13 140.003 0.300 . 1 . . . . 35 HIS CE1 . 10189 1 335 . 1 1 35 35 HIS HE1 H 1 8.062 0.030 . 1 . . . . 35 HIS HE1 . 10189 1 336 . 1 1 35 35 HIS C C 13 176.009 0.300 . 1 . . . . 35 HIS C . 10189 1 337 . 1 1 35 35 HIS HB2 H 1 3.031 0.030 . 2 . . . . 35 HIS HB2 . 10189 1 338 . 1 1 36 36 THR N N 15 110.946 0.300 . 1 . . . . 36 THR N . 10189 1 339 . 1 1 36 36 THR H H 1 7.834 0.030 . 1 . . . . 36 THR H . 10189 1 340 . 1 1 36 36 THR CA C 13 62.550 0.300 . 1 . . . . 36 THR CA . 10189 1 341 . 1 1 36 36 THR HA H 1 4.312 0.030 . 1 . . . . 36 THR HA . 10189 1 342 . 1 1 36 36 THR CB C 13 69.804 0.300 . 1 . . . . 36 THR CB . 10189 1 343 . 1 1 36 36 THR HB H 1 4.314 0.030 . 1 . . . . 36 THR HB . 10189 1 344 . 1 1 36 36 THR CG2 C 13 21.430 0.300 . 1 . . . . 36 THR CG2 . 10189 1 345 . 1 1 36 36 THR HG21 H 1 1.203 0.030 . 1 . . . . 36 THR HG2 . 10189 1 346 . 1 1 36 36 THR HG22 H 1 1.203 0.030 . 1 . . . . 36 THR HG2 . 10189 1 347 . 1 1 36 36 THR HG23 H 1 1.203 0.030 . 1 . . . . 36 THR HG2 . 10189 1 348 . 1 1 36 36 THR C C 13 175.635 0.300 . 1 . . . . 36 THR C . 10189 1 349 . 1 1 37 37 GLY N N 15 110.649 0.300 . 1 . . . . 37 GLY N . 10189 1 350 . 1 1 37 37 GLY H H 1 8.196 0.030 . 1 . . . . 37 GLY H . 10189 1 351 . 1 1 37 37 GLY CA C 13 45.414 0.300 . 1 . . . . 37 GLY CA . 10189 1 352 . 1 1 37 37 GLY HA3 H 1 3.920 0.030 . 2 . . . . 37 GLY HA3 . 10189 1 353 . 1 1 37 37 GLY C C 13 174.050 0.300 . 1 . . . . 37 GLY C . 10189 1 354 . 1 1 37 37 GLY HA2 H 1 4.016 0.030 . 2 . . . . 37 GLY HA2 . 10189 1 355 . 1 1 38 38 GLU N N 15 120.504 0.300 . 1 . . . . 38 GLU N . 10189 1 356 . 1 1 38 38 GLU H H 1 8.039 0.030 . 1 . . . . 38 GLU H . 10189 1 357 . 1 1 38 38 GLU CA C 13 56.537 0.300 . 1 . . . . 38 GLU CA . 10189 1 358 . 1 1 38 38 GLU HA H 1 4.215 0.030 . 1 . . . . 38 GLU HA . 10189 1 359 . 1 1 38 38 GLU CB C 13 30.588 0.300 . 1 . . . . 38 GLU CB . 10189 1 360 . 1 1 38 38 GLU HB3 H 1 1.882 0.030 . 2 . . . . 38 GLU HB3 . 10189 1 361 . 1 1 38 38 GLU CG C 13 36.390 0.300 . 1 . . . . 38 GLU CG . 10189 1 362 . 1 1 38 38 GLU HG3 H 1 2.193 0.030 . 1 . . . . 38 GLU HG3 . 10189 1 363 . 1 1 38 38 GLU C C 13 176.107 0.300 . 1 . . . . 38 GLU C . 10189 1 364 . 1 1 38 38 GLU HB2 H 1 1.976 0.030 . 2 . . . . 38 GLU HB2 . 10189 1 365 . 1 1 38 38 GLU HG2 H 1 2.193 0.030 . 1 . . . . 38 GLU HG2 . 10189 1 366 . 1 1 39 39 LYS N N 15 123.777 0.300 . 1 . . . . 39 LYS N . 10189 1 367 . 1 1 39 39 LYS H H 1 8.401 0.030 . 1 . . . . 39 LYS H . 10189 1 368 . 1 1 39 39 LYS CA C 13 54.099 0.300 . 1 . . . . 39 LYS CA . 10189 1 369 . 1 1 39 39 LYS HA H 1 4.599 0.030 . 1 . . . . 39 LYS HA . 10189 1 370 . 1 1 39 39 LYS CB C 13 32.530 0.300 . 1 . . . . 39 LYS CB . 10189 1 371 . 1 1 39 39 LYS HB3 H 1 1.718 0.030 . 2 . . . . 39 LYS HB3 . 10189 1 372 . 1 1 39 39 LYS CG C 13 24.511 0.300 . 1 . . . . 39 LYS CG . 10189 1 373 . 1 1 39 39 LYS HG3 H 1 1.461 0.030 . 1 . . . . 39 LYS HG3 . 10189 1 374 . 1 1 39 39 LYS CD C 13 29.157 0.300 . 1 . . . . 39 LYS CD . 10189 1 375 . 1 1 39 39 LYS HD3 H 1 1.698 0.030 . 1 . . . . 39 LYS HD3 . 10189 1 376 . 1 1 39 39 LYS CE C 13 42.224 0.300 . 1 . . . . 39 LYS CE . 10189 1 377 . 1 1 39 39 LYS HE3 H 1 2.994 0.030 . 1 . . . . 39 LYS HE3 . 10189 1 378 . 1 1 39 39 LYS C C 13 174.452 0.300 . 1 . . . . 39 LYS C . 10189 1 379 . 1 1 39 39 LYS HB2 H 1 1.816 0.030 . 2 . . . . 39 LYS HB2 . 10189 1 380 . 1 1 39 39 LYS HD2 H 1 1.698 0.030 . 1 . . . . 39 LYS HD2 . 10189 1 381 . 1 1 39 39 LYS HE2 H 1 2.994 0.030 . 1 . . . . 39 LYS HE2 . 10189 1 382 . 1 1 39 39 LYS HG2 H 1 1.461 0.030 . 1 . . . . 39 LYS HG2 . 10189 1 383 . 1 1 40 40 PRO CA C 13 63.195 0.300 . 1 . . . . 40 PRO CA . 10189 1 384 . 1 1 40 40 PRO HA H 1 4.445 0.030 . 1 . . . . 40 PRO HA . 10189 1 385 . 1 1 40 40 PRO CB C 13 32.187 0.300 . 1 . . . . 40 PRO CB . 10189 1 386 . 1 1 40 40 PRO HB3 H 1 1.941 0.030 . 2 . . . . 40 PRO HB3 . 10189 1 387 . 1 1 40 40 PRO CG C 13 27.232 0.300 . 1 . . . . 40 PRO CG . 10189 1 388 . 1 1 40 40 PRO HG3 H 1 2.024 0.030 . 1 . . . . 40 PRO HG3 . 10189 1 389 . 1 1 40 40 PRO CD C 13 50.668 0.300 . 1 . . . . 40 PRO CD . 10189 1 390 . 1 1 40 40 PRO HD3 H 1 3.642 0.030 . 2 . . . . 40 PRO HD3 . 10189 1 391 . 1 1 40 40 PRO C C 13 176.911 0.300 . 1 . . . . 40 PRO C . 10189 1 392 . 1 1 40 40 PRO HB2 H 1 2.302 0.030 . 2 . . . . 40 PRO HB2 . 10189 1 393 . 1 1 40 40 PRO HD2 H 1 3.799 0.030 . 2 . . . . 40 PRO HD2 . 10189 1 394 . 1 1 40 40 PRO HG2 H 1 2.024 0.030 . 1 . . . . 40 PRO HG2 . 10189 1 395 . 1 1 41 41 SER N N 15 116.485 0.300 . 1 . . . . 41 SER N . 10189 1 396 . 1 1 41 41 SER H H 1 8.449 0.030 . 1 . . . . 41 SER H . 10189 1 397 . 1 1 41 41 SER CA C 13 58.467 0.300 . 1 . . . . 41 SER CA . 10189 1 398 . 1 1 41 41 SER HA H 1 4.468 0.030 . 1 . . . . 41 SER HA . 10189 1 399 . 1 1 41 41 SER CB C 13 63.909 0.300 . 1 . . . . 41 SER CB . 10189 1 400 . 1 1 41 41 SER HB3 H 1 3.877 0.030 . 1 . . . . 41 SER HB3 . 10189 1 401 . 1 1 41 41 SER C C 13 174.617 0.300 . 1 . . . . 41 SER C . 10189 1 402 . 1 1 41 41 SER HB2 H 1 3.877 0.030 . 1 . . . . 41 SER HB2 . 10189 1 403 . 1 1 42 42 GLY N N 15 110.609 0.300 . 1 . . . . 42 GLY N . 10189 1 404 . 1 1 42 42 GLY H H 1 8.216 0.030 . 1 . . . . 42 GLY H . 10189 1 405 . 1 1 42 42 GLY CA C 13 44.673 0.300 . 1 . . . . 42 GLY CA . 10189 1 406 . 1 1 42 42 GLY HA3 H 1 4.114 0.030 . 2 . . . . 42 GLY HA3 . 10189 1 407 . 1 1 42 42 GLY C C 13 171.713 0.300 . 1 . . . . 42 GLY C . 10189 1 408 . 1 1 42 42 GLY HA2 H 1 4.158 0.030 . 2 . . . . 42 GLY HA2 . 10189 1 409 . 1 1 43 43 PRO CA C 13 63.260 0.300 . 1 . . . . 43 PRO CA . 10189 1 410 . 1 1 43 43 PRO HA H 1 4.484 0.030 . 1 . . . . 43 PRO HA . 10189 1 411 . 1 1 43 43 PRO CB C 13 32.216 0.300 . 1 . . . . 43 PRO CB . 10189 1 412 . 1 1 43 43 PRO HB3 H 1 1.982 0.030 . 2 . . . . 43 PRO HB3 . 10189 1 413 . 1 1 43 43 PRO CG C 13 27.365 0.300 . 1 . . . . 43 PRO CG . 10189 1 414 . 1 1 43 43 PRO HG3 H 1 1.986 0.030 . 2 . . . . 43 PRO HG3 . 10189 1 415 . 1 1 43 43 PRO CD C 13 49.812 0.300 . 1 . . . . 43 PRO CD . 10189 1 416 . 1 1 43 43 PRO HD3 H 1 3.632 0.030 . 1 . . . . 43 PRO HD3 . 10189 1 417 . 1 1 43 43 PRO C C 13 177.352 0.300 . 1 . . . . 43 PRO C . 10189 1 418 . 1 1 43 43 PRO HB2 H 1 2.297 0.030 . 2 . . . . 43 PRO HB2 . 10189 1 419 . 1 1 43 43 PRO HD2 H 1 3.632 0.030 . 1 . . . . 43 PRO HD2 . 10189 1 420 . 1 1 43 43 PRO HG2 H 1 2.035 0.030 . 2 . . . . 43 PRO HG2 . 10189 1 421 . 1 1 44 44 SER N N 15 116.409 0.300 . 1 . . . . 44 SER N . 10189 1 422 . 1 1 44 44 SER H H 1 8.511 0.030 . 1 . . . . 44 SER H . 10189 1 423 . 1 1 44 44 SER CA C 13 58.392 0.300 . 1 . . . . 44 SER CA . 10189 1 424 . 1 1 44 44 SER HA H 1 4.466 0.030 . 1 . . . . 44 SER HA . 10189 1 425 . 1 1 44 44 SER CB C 13 63.748 0.300 . 1 . . . . 44 SER CB . 10189 1 426 . 1 1 44 44 SER HB3 H 1 3.870 0.030 . 1 . . . . 44 SER HB3 . 10189 1 427 . 1 1 44 44 SER C C 13 174.615 0.300 . 1 . . . . 44 SER C . 10189 1 428 . 1 1 44 44 SER HB2 H 1 3.870 0.030 . 1 . . . . 44 SER HB2 . 10189 1 429 . 1 1 45 45 SER N N 15 117.817 0.300 . 1 . . . . 45 SER N . 10189 1 430 . 1 1 45 45 SER H H 1 8.303 0.030 . 1 . . . . 45 SER H . 10189 1 431 . 1 1 45 45 SER CA C 13 58.381 0.300 . 1 . . . . 45 SER CA . 10189 1 432 . 1 1 45 45 SER HA H 1 4.452 0.030 . 1 . . . . 45 SER HA . 10189 1 433 . 1 1 45 45 SER CB C 13 64.070 0.300 . 1 . . . . 45 SER CB . 10189 1 434 . 1 1 45 45 SER HB3 H 1 3.852 0.030 . 1 . . . . 45 SER HB3 . 10189 1 435 . 1 1 45 45 SER C C 13 173.885 0.300 . 1 . . . . 45 SER C . 10189 1 436 . 1 1 45 45 SER HB2 H 1 3.852 0.030 . 1 . . . . 45 SER HB2 . 10189 1 437 . 1 1 46 46 GLY N N 15 116.844 0.300 . 1 . . . . 46 GLY N . 10189 1 438 . 1 1 46 46 GLY H H 1 8.026 0.030 . 1 . . . . 46 GLY H . 10189 1 439 . 1 1 46 46 GLY C C 13 178.958 0.300 . 1 . . . . 46 GLY C . 10189 1 stop_ save_