################################### # 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 10215 _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 10215 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10215 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 5 5 SER CA C 13 60.635 0.300 . 1 . . . . 5 SER CA . 10215 1 2 . 1 1 5 5 SER HA H 1 4.585 0.030 . 1 . . . . 5 SER HA . 10215 1 3 . 1 1 5 5 SER CB C 13 66.298 0.300 . 1 . . . . 5 SER CB . 10215 1 4 . 1 1 5 5 SER HB2 H 1 3.945 0.030 . 1 . . . . 5 SER HB2 . 10215 1 5 . 1 1 5 5 SER HB3 H 1 3.945 0.030 . 1 . . . . 5 SER HB3 . 10215 1 6 . 1 1 5 5 SER C C 13 177.168 0.300 . 1 . . . . 5 SER C . 10215 1 7 . 1 1 6 6 SER N N 15 118.338 0.300 . 1 . . . . 6 SER N . 10215 1 8 . 1 1 6 6 SER H H 1 8.569 0.030 . 1 . . . . 6 SER H . 10215 1 9 . 1 1 6 6 SER CA C 13 60.885 0.300 . 1 . . . . 6 SER CA . 10215 1 10 . 1 1 6 6 SER HA H 1 4.535 0.030 . 1 . . . . 6 SER HA . 10215 1 11 . 1 1 6 6 SER CB C 13 66.148 0.300 . 1 . . . . 6 SER CB . 10215 1 12 . 1 1 6 6 SER HB2 H 1 3.945 0.030 . 1 . . . . 6 SER HB2 . 10215 1 13 . 1 1 6 6 SER HB3 H 1 3.945 0.030 . 1 . . . . 6 SER HB3 . 10215 1 14 . 1 1 6 6 SER C C 13 177.326 0.300 . 1 . . . . 6 SER C . 10215 1 15 . 1 1 7 7 GLY N N 15 111.002 0.300 . 1 . . . . 7 GLY N . 10215 1 16 . 1 1 7 7 GLY H H 1 8.476 0.030 . 1 . . . . 7 GLY H . 10215 1 17 . 1 1 7 7 GLY CA C 13 47.617 0.300 . 1 . . . . 7 GLY CA . 10215 1 18 . 1 1 7 7 GLY HA2 H 1 4.019 0.030 . 1 . . . . 7 GLY HA2 . 10215 1 19 . 1 1 7 7 GLY HA3 H 1 4.019 0.030 . 1 . . . . 7 GLY HA3 . 10215 1 20 . 1 1 7 7 GLY C C 13 176.492 0.300 . 1 . . . . 7 GLY C . 10215 1 21 . 1 1 8 8 LEU N N 15 121.799 0.300 . 1 . . . . 8 LEU N . 10215 1 22 . 1 1 8 8 LEU H H 1 8.193 0.030 . 1 . . . . 8 LEU H . 10215 1 23 . 1 1 8 8 LEU CA C 13 57.462 0.300 . 1 . . . . 8 LEU CA . 10215 1 24 . 1 1 8 8 LEU HA H 1 4.394 0.030 . 1 . . . . 8 LEU HA . 10215 1 25 . 1 1 8 8 LEU CB C 13 44.690 0.300 . 1 . . . . 8 LEU CB . 10215 1 26 . 1 1 8 8 LEU HB2 H 1 1.647 0.030 . 1 . . . . 8 LEU HB2 . 10215 1 27 . 1 1 8 8 LEU HB3 H 1 1.647 0.030 . 1 . . . . 8 LEU HB3 . 10215 1 28 . 1 1 8 8 LEU CG C 13 29.382 0.300 . 1 . . . . 8 LEU CG . 10215 1 29 . 1 1 8 8 LEU CD1 C 13 27.239 0.300 . 2 . . . . 8 LEU CD1 . 10215 1 30 . 1 1 8 8 LEU HD11 H 1 0.886 0.030 . 1 . . . . 8 LEU HD1 . 10215 1 31 . 1 1 8 8 LEU HD12 H 1 0.886 0.030 . 1 . . . . 8 LEU HD1 . 10215 1 32 . 1 1 8 8 LEU HD13 H 1 0.886 0.030 . 1 . . . . 8 LEU HD1 . 10215 1 33 . 1 1 8 8 LEU CD2 C 13 25.590 0.300 . 2 . . . . 8 LEU CD2 . 10215 1 34 . 1 1 8 8 LEU HD21 H 1 0.971 0.030 . 1 . . . . 8 LEU HD2 . 10215 1 35 . 1 1 8 8 LEU HD22 H 1 0.971 0.030 . 1 . . . . 8 LEU HD2 . 10215 1 36 . 1 1 8 8 LEU HD23 H 1 0.971 0.030 . 1 . . . . 8 LEU HD2 . 10215 1 37 . 1 1 8 8 LEU C C 13 179.755 0.300 . 1 . . . . 8 LEU C . 10215 1 38 . 1 1 9 9 ASP N N 15 121.308 0.300 . 1 . . . . 9 ASP N . 10215 1 39 . 1 1 9 9 ASP H H 1 8.466 0.030 . 1 . . . . 9 ASP H . 10215 1 40 . 1 1 9 9 ASP CA C 13 56.935 0.300 . 1 . . . . 9 ASP CA . 10215 1 41 . 1 1 9 9 ASP HA H 1 4.606 0.030 . 1 . . . . 9 ASP HA . 10215 1 42 . 1 1 9 9 ASP CB C 13 43.197 0.300 . 1 . . . . 9 ASP CB . 10215 1 43 . 1 1 9 9 ASP HB2 H 1 2.752 0.030 . 2 . . . . 9 ASP HB2 . 10215 1 44 . 1 1 9 9 ASP HB3 H 1 2.659 0.030 . 2 . . . . 9 ASP HB3 . 10215 1 45 . 1 1 9 9 ASP C C 13 178.791 0.300 . 1 . . . . 9 ASP C . 10215 1 46 . 1 1 10 10 SER N N 15 115.813 0.300 . 1 . . . . 10 SER N . 10215 1 47 . 1 1 10 10 SER H H 1 8.187 0.030 . 1 . . . . 10 SER H . 10215 1 48 . 1 1 10 10 SER CA C 13 60.991 0.300 . 1 . . . . 10 SER CA . 10215 1 49 . 1 1 10 10 SER HA H 1 4.407 0.030 . 1 . . . . 10 SER HA . 10215 1 50 . 1 1 10 10 SER CB C 13 66.161 0.300 . 1 . . . . 10 SER CB . 10215 1 51 . 1 1 10 10 SER HB2 H 1 3.896 0.030 . 1 . . . . 10 SER HB2 . 10215 1 52 . 1 1 10 10 SER HB3 H 1 3.896 0.030 . 1 . . . . 10 SER HB3 . 10215 1 53 . 1 1 10 10 SER C C 13 176.964 0.300 . 1 . . . . 10 SER C . 10215 1 54 . 1 1 11 11 GLU N N 15 122.677 0.300 . 1 . . . . 11 GLU N . 10215 1 55 . 1 1 11 11 GLU H H 1 8.443 0.030 . 1 . . . . 11 GLU H . 10215 1 56 . 1 1 11 11 GLU CA C 13 58.754 0.300 . 1 . . . . 11 GLU CA . 10215 1 57 . 1 1 11 11 GLU HA H 1 4.316 0.030 . 1 . . . . 11 GLU HA . 10215 1 58 . 1 1 11 11 GLU CB C 13 32.345 0.300 . 1 . . . . 11 GLU CB . 10215 1 59 . 1 1 11 11 GLU HB2 H 1 1.968 0.030 . 2 . . . . 11 GLU HB2 . 10215 1 60 . 1 1 11 11 GLU HB3 H 1 2.091 0.030 . 2 . . . . 11 GLU HB3 . 10215 1 61 . 1 1 11 11 GLU CG C 13 38.532 0.300 . 1 . . . . 11 GLU CG . 10215 1 62 . 1 1 11 11 GLU HG2 H 1 2.314 0.030 . 2 . . . . 11 GLU HG2 . 10215 1 63 . 1 1 11 11 GLU HG3 H 1 2.264 0.030 . 2 . . . . 11 GLU HG3 . 10215 1 64 . 1 1 11 11 GLU C C 13 178.630 0.300 . 1 . . . . 11 GLU C . 10215 1 65 . 1 1 12 12 LEU N N 15 122.751 0.300 . 1 . . . . 12 LEU N . 10215 1 66 . 1 1 12 12 LEU H H 1 8.101 0.030 . 1 . . . . 12 LEU H . 10215 1 67 . 1 1 12 12 LEU CA C 13 57.200 0.300 . 1 . . . . 12 LEU CA . 10215 1 68 . 1 1 12 12 LEU HA H 1 4.330 0.030 . 1 . . . . 12 LEU HA . 10215 1 69 . 1 1 12 12 LEU CB C 13 44.701 0.300 . 1 . . . . 12 LEU CB . 10215 1 70 . 1 1 12 12 LEU HB2 H 1 1.552 0.030 . 2 . . . . 12 LEU HB2 . 10215 1 71 . 1 1 12 12 LEU HB3 H 1 1.629 0.030 . 2 . . . . 12 LEU HB3 . 10215 1 72 . 1 1 12 12 LEU CG C 13 29.155 0.300 . 1 . . . . 12 LEU CG . 10215 1 73 . 1 1 12 12 LEU HG H 1 1.627 0.030 . 1 . . . . 12 LEU HG . 10215 1 74 . 1 1 12 12 LEU CD1 C 13 27.178 0.300 . 2 . . . . 12 LEU CD1 . 10215 1 75 . 1 1 12 12 LEU HD11 H 1 0.899 0.030 . 1 . . . . 12 LEU HD1 . 10215 1 76 . 1 1 12 12 LEU HD12 H 1 0.899 0.030 . 1 . . . . 12 LEU HD1 . 10215 1 77 . 1 1 12 12 LEU HD13 H 1 0.899 0.030 . 1 . . . . 12 LEU HD1 . 10215 1 78 . 1 1 12 12 LEU CD2 C 13 25.666 0.300 . 2 . . . . 12 LEU CD2 . 10215 1 79 . 1 1 12 12 LEU HD21 H 1 0.863 0.030 . 1 . . . . 12 LEU HD2 . 10215 1 80 . 1 1 12 12 LEU HD22 H 1 0.863 0.030 . 1 . . . . 12 LEU HD2 . 10215 1 81 . 1 1 12 12 LEU HD23 H 1 0.863 0.030 . 1 . . . . 12 LEU HD2 . 10215 1 82 . 1 1 12 12 LEU C C 13 179.430 0.300 . 1 . . . . 12 LEU C . 10215 1 83 . 1 1 13 13 GLU N N 15 122.737 0.300 . 1 . . . . 13 GLU N . 10215 1 84 . 1 1 13 13 GLU H H 1 8.361 0.030 . 1 . . . . 13 GLU H . 10215 1 85 . 1 1 13 13 GLU CA C 13 58.512 0.300 . 1 . . . . 13 GLU CA . 10215 1 86 . 1 1 13 13 GLU HA H 1 4.272 0.030 . 1 . . . . 13 GLU HA . 10215 1 87 . 1 1 13 13 GLU CB C 13 32.697 0.300 . 1 . . . . 13 GLU CB . 10215 1 88 . 1 1 13 13 GLU HB2 H 1 1.935 0.030 . 2 . . . . 13 GLU HB2 . 10215 1 89 . 1 1 13 13 GLU HB3 H 1 2.018 0.030 . 2 . . . . 13 GLU HB3 . 10215 1 90 . 1 1 13 13 GLU CG C 13 38.614 0.300 . 1 . . . . 13 GLU CG . 10215 1 91 . 1 1 13 13 GLU HG2 H 1 2.320 0.030 . 2 . . . . 13 GLU HG2 . 10215 1 92 . 1 1 13 13 GLU HG3 H 1 2.264 0.030 . 2 . . . . 13 GLU HG3 . 10215 1 93 . 1 1 13 13 GLU C C 13 178.439 0.300 . 1 . . . . 13 GLU C . 10215 1 94 . 1 1 14 14 LEU N N 15 124.926 0.300 . 1 . . . . 14 LEU N . 10215 1 95 . 1 1 14 14 LEU H H 1 8.476 0.030 . 1 . . . . 14 LEU H . 10215 1 96 . 1 1 14 14 LEU CA C 13 54.936 0.300 . 1 . . . . 14 LEU CA . 10215 1 97 . 1 1 14 14 LEU HA H 1 4.513 0.030 . 1 . . . . 14 LEU HA . 10215 1 98 . 1 1 14 14 LEU CB C 13 44.202 0.300 . 1 . . . . 14 LEU CB . 10215 1 99 . 1 1 14 14 LEU HB2 H 1 1.728 0.030 . 2 . . . . 14 LEU HB2 . 10215 1 100 . 1 1 14 14 LEU HB3 H 1 1.427 0.030 . 2 . . . . 14 LEU HB3 . 10215 1 101 . 1 1 14 14 LEU CG C 13 29.224 0.300 . 1 . . . . 14 LEU CG . 10215 1 102 . 1 1 14 14 LEU HG H 1 1.802 0.030 . 1 . . . . 14 LEU HG . 10215 1 103 . 1 1 14 14 LEU CD1 C 13 28.602 0.300 . 2 . . . . 14 LEU CD1 . 10215 1 104 . 1 1 14 14 LEU HD11 H 1 1.018 0.030 . 1 . . . . 14 LEU HD1 . 10215 1 105 . 1 1 14 14 LEU HD12 H 1 1.018 0.030 . 1 . . . . 14 LEU HD1 . 10215 1 106 . 1 1 14 14 LEU HD13 H 1 1.018 0.030 . 1 . . . . 14 LEU HD1 . 10215 1 107 . 1 1 14 14 LEU CD2 C 13 26.148 0.300 . 2 . . . . 14 LEU CD2 . 10215 1 108 . 1 1 14 14 LEU HD21 H 1 0.837 0.030 . 1 . . . . 14 LEU HD2 . 10215 1 109 . 1 1 14 14 LEU HD22 H 1 0.837 0.030 . 1 . . . . 14 LEU HD2 . 10215 1 110 . 1 1 14 14 LEU HD23 H 1 0.837 0.030 . 1 . . . . 14 LEU HD2 . 10215 1 111 . 1 1 14 14 LEU C C 13 176.898 0.300 . 1 . . . . 14 LEU C . 10215 1 112 . 1 1 15 15 PRO CA C 13 64.197 0.300 . 1 . . . . 15 PRO CA . 10215 1 113 . 1 1 15 15 PRO HA H 1 4.505 0.030 . 1 . . . . 15 PRO HA . 10215 1 114 . 1 1 15 15 PRO CB C 13 33.625 0.300 . 1 . . . . 15 PRO CB . 10215 1 115 . 1 1 15 15 PRO HB2 H 1 1.942 0.030 . 2 . . . . 15 PRO HB2 . 10215 1 116 . 1 1 15 15 PRO HB3 H 1 2.421 0.030 . 2 . . . . 15 PRO HB3 . 10215 1 117 . 1 1 15 15 PRO CG C 13 29.502 0.300 . 1 . . . . 15 PRO CG . 10215 1 118 . 1 1 15 15 PRO HG2 H 1 1.492 0.030 . 2 . . . . 15 PRO HG2 . 10215 1 119 . 1 1 15 15 PRO HG3 H 1 1.744 0.030 . 2 . . . . 15 PRO HG3 . 10215 1 120 . 1 1 15 15 PRO CD C 13 52.465 0.300 . 1 . . . . 15 PRO CD . 10215 1 121 . 1 1 15 15 PRO HD2 H 1 3.647 0.030 . 2 . . . . 15 PRO HD2 . 10215 1 122 . 1 1 15 15 PRO HD3 H 1 2.884 0.030 . 2 . . . . 15 PRO HD3 . 10215 1 123 . 1 1 15 15 PRO C C 13 178.217 0.300 . 1 . . . . 15 PRO C . 10215 1 124 . 1 1 16 16 ALA N N 15 123.785 0.300 . 1 . . . . 16 ALA N . 10215 1 125 . 1 1 16 16 ALA H H 1 8.483 0.030 . 1 . . . . 16 ALA H . 10215 1 126 . 1 1 16 16 ALA CA C 13 55.949 0.300 . 1 . . . . 16 ALA CA . 10215 1 127 . 1 1 16 16 ALA HA H 1 4.250 0.030 . 1 . . . . 16 ALA HA . 10215 1 128 . 1 1 16 16 ALA CB C 13 20.671 0.300 . 1 . . . . 16 ALA CB . 10215 1 129 . 1 1 16 16 ALA HB1 H 1 1.444 0.030 . 1 . . . . 16 ALA HB . 10215 1 130 . 1 1 16 16 ALA HB2 H 1 1.444 0.030 . 1 . . . . 16 ALA HB . 10215 1 131 . 1 1 16 16 ALA HB3 H 1 1.444 0.030 . 1 . . . . 16 ALA HB . 10215 1 132 . 1 1 16 16 ALA C C 13 180.993 0.300 . 1 . . . . 16 ALA C . 10215 1 133 . 1 1 17 17 GLY N N 15 110.361 0.300 . 1 . . . . 17 GLY N . 10215 1 134 . 1 1 17 17 GLY H H 1 8.826 0.030 . 1 . . . . 17 GLY H . 10215 1 135 . 1 1 17 17 GLY CA C 13 47.644 0.300 . 1 . . . . 17 GLY CA . 10215 1 136 . 1 1 17 17 GLY HA2 H 1 3.781 0.030 . 2 . . . . 17 GLY HA2 . 10215 1 137 . 1 1 17 17 GLY HA3 H 1 4.248 0.030 . 2 . . . . 17 GLY HA3 . 10215 1 138 . 1 1 17 17 GLY C C 13 175.678 0.300 . 1 . . . . 17 GLY C . 10215 1 139 . 1 1 18 18 TRP N N 15 118.683 0.300 . 1 . . . . 18 TRP N . 10215 1 140 . 1 1 18 18 TRP H H 1 7.771 0.030 . 1 . . . . 18 TRP H . 10215 1 141 . 1 1 18 18 TRP CA C 13 59.186 0.300 . 1 . . . . 18 TRP CA . 10215 1 142 . 1 1 18 18 TRP HA H 1 5.710 0.030 . 1 . . . . 18 TRP HA . 10215 1 143 . 1 1 18 18 TRP CB C 13 34.117 0.300 . 1 . . . . 18 TRP CB . 10215 1 144 . 1 1 18 18 TRP HB2 H 1 3.292 0.030 . 2 . . . . 18 TRP HB2 . 10215 1 145 . 1 1 18 18 TRP HB3 H 1 3.053 0.030 . 2 . . . . 18 TRP HB3 . 10215 1 146 . 1 1 18 18 TRP CD1 C 13 129.466 0.300 . 1 . . . . 18 TRP CD1 . 10215 1 147 . 1 1 18 18 TRP HD1 H 1 7.111 0.030 . 1 . . . . 18 TRP HD1 . 10215 1 148 . 1 1 18 18 TRP NE1 N 15 129.807 0.300 . 1 . . . . 18 TRP NE1 . 10215 1 149 . 1 1 18 18 TRP HE1 H 1 10.095 0.030 . 1 . . . . 18 TRP HE1 . 10215 1 150 . 1 1 18 18 TRP CE3 C 13 122.546 0.300 . 1 . . . . 18 TRP CE3 . 10215 1 151 . 1 1 18 18 TRP HE3 H 1 7.362 0.030 . 1 . . . . 18 TRP HE3 . 10215 1 152 . 1 1 18 18 TRP CZ2 C 13 117.251 0.300 . 1 . . . . 18 TRP CZ2 . 10215 1 153 . 1 1 18 18 TRP HZ2 H 1 7.449 0.030 . 1 . . . . 18 TRP HZ2 . 10215 1 154 . 1 1 18 18 TRP CZ3 C 13 123.643 0.300 . 1 . . . . 18 TRP CZ3 . 10215 1 155 . 1 1 18 18 TRP HZ3 H 1 6.824 0.030 . 1 . . . . 18 TRP HZ3 . 10215 1 156 . 1 1 18 18 TRP CH2 C 13 126.144 0.300 . 1 . . . . 18 TRP CH2 . 10215 1 157 . 1 1 18 18 TRP HH2 H 1 6.994 0.030 . 1 . . . . 18 TRP HH2 . 10215 1 158 . 1 1 18 18 TRP C C 13 179.094 0.300 . 1 . . . . 18 TRP C . 10215 1 159 . 1 1 19 19 GLU N N 15 122.400 0.300 . 1 . . . . 19 GLU N . 10215 1 160 . 1 1 19 19 GLU H H 1 9.431 0.030 . 1 . . . . 19 GLU H . 10215 1 161 . 1 1 19 19 GLU CA C 13 57.452 0.300 . 1 . . . . 19 GLU CA . 10215 1 162 . 1 1 19 19 GLU HA H 1 4.668 0.030 . 1 . . . . 19 GLU HA . 10215 1 163 . 1 1 19 19 GLU CB C 13 36.636 0.300 . 1 . . . . 19 GLU CB . 10215 1 164 . 1 1 19 19 GLU HB2 H 1 2.029 0.030 . 1 . . . . 19 GLU HB2 . 10215 1 165 . 1 1 19 19 GLU HB3 H 1 2.029 0.030 . 1 . . . . 19 GLU HB3 . 10215 1 166 . 1 1 19 19 GLU CG C 13 38.284 0.300 . 1 . . . . 19 GLU CG . 10215 1 167 . 1 1 19 19 GLU HG2 H 1 2.186 0.030 . 2 . . . . 19 GLU HG2 . 10215 1 168 . 1 1 19 19 GLU HG3 H 1 2.372 0.030 . 2 . . . . 19 GLU HG3 . 10215 1 169 . 1 1 19 19 GLU C C 13 176.242 0.300 . 1 . . . . 19 GLU C . 10215 1 170 . 1 1 20 20 LYS N N 15 126.826 0.300 . 1 . . . . 20 LYS N . 10215 1 171 . 1 1 20 20 LYS H H 1 8.839 0.030 . 1 . . . . 20 LYS H . 10215 1 172 . 1 1 20 20 LYS CA C 13 57.834 0.300 . 1 . . . . 20 LYS CA . 10215 1 173 . 1 1 20 20 LYS HA H 1 4.396 0.030 . 1 . . . . 20 LYS HA . 10215 1 174 . 1 1 20 20 LYS CB C 13 36.189 0.300 . 1 . . . . 20 LYS CB . 10215 1 175 . 1 1 20 20 LYS HB2 H 1 1.855 0.030 . 2 . . . . 20 LYS HB2 . 10215 1 176 . 1 1 20 20 LYS HB3 H 1 1.649 0.030 . 2 . . . . 20 LYS HB3 . 10215 1 177 . 1 1 20 20 LYS CG C 13 26.921 0.300 . 1 . . . . 20 LYS CG . 10215 1 178 . 1 1 20 20 LYS HG2 H 1 0.900 0.030 . 1 . . . . 20 LYS HG2 . 10215 1 179 . 1 1 20 20 LYS HG3 H 1 0.900 0.030 . 1 . . . . 20 LYS HG3 . 10215 1 180 . 1 1 20 20 LYS CD C 13 31.879 0.300 . 1 . . . . 20 LYS CD . 10215 1 181 . 1 1 20 20 LYS HD2 H 1 1.720 0.030 . 2 . . . . 20 LYS HD2 . 10215 1 182 . 1 1 20 20 LYS HD3 H 1 1.665 0.030 . 2 . . . . 20 LYS HD3 . 10215 1 183 . 1 1 20 20 LYS CE C 13 44.133 0.300 . 1 . . . . 20 LYS CE . 10215 1 184 . 1 1 20 20 LYS HE2 H 1 2.905 0.030 . 1 . . . . 20 LYS HE2 . 10215 1 185 . 1 1 20 20 LYS HE3 H 1 2.905 0.030 . 1 . . . . 20 LYS HE3 . 10215 1 186 . 1 1 20 20 LYS C C 13 176.986 0.300 . 1 . . . . 20 LYS C . 10215 1 187 . 1 1 21 21 ILE N N 15 130.514 0.300 . 1 . . . . 21 ILE N . 10215 1 188 . 1 1 21 21 ILE H H 1 8.899 0.030 . 1 . . . . 21 ILE H . 10215 1 189 . 1 1 21 21 ILE CA C 13 61.347 0.300 . 1 . . . . 21 ILE CA . 10215 1 190 . 1 1 21 21 ILE HA H 1 4.062 0.030 . 1 . . . . 21 ILE HA . 10215 1 191 . 1 1 21 21 ILE CB C 13 40.504 0.300 . 1 . . . . 21 ILE CB . 10215 1 192 . 1 1 21 21 ILE HB H 1 0.671 0.030 . 1 . . . . 21 ILE HB . 10215 1 193 . 1 1 21 21 ILE CG1 C 13 29.635 0.300 . 1 . . . . 21 ILE CG1 . 10215 1 194 . 1 1 21 21 ILE HG12 H 1 0.996 0.030 . 2 . . . . 21 ILE HG12 . 10215 1 195 . 1 1 21 21 ILE HG13 H 1 1.038 0.030 . 2 . . . . 21 ILE HG13 . 10215 1 196 . 1 1 21 21 ILE CG2 C 13 19.802 0.300 . 1 . . . . 21 ILE CG2 . 10215 1 197 . 1 1 21 21 ILE HG21 H 1 0.671 0.030 . 1 . . . . 21 ILE HG2 . 10215 1 198 . 1 1 21 21 ILE HG22 H 1 0.671 0.030 . 1 . . . . 21 ILE HG2 . 10215 1 199 . 1 1 21 21 ILE HG23 H 1 0.671 0.030 . 1 . . . . 21 ILE HG2 . 10215 1 200 . 1 1 21 21 ILE CD1 C 13 13.551 0.300 . 1 . . . . 21 ILE CD1 . 10215 1 201 . 1 1 21 21 ILE HD11 H 1 0.628 0.030 . 1 . . . . 21 ILE HD1 . 10215 1 202 . 1 1 21 21 ILE HD12 H 1 0.628 0.030 . 1 . . . . 21 ILE HD1 . 10215 1 203 . 1 1 21 21 ILE HD13 H 1 0.628 0.030 . 1 . . . . 21 ILE HD1 . 10215 1 204 . 1 1 21 21 ILE C C 13 176.050 0.300 . 1 . . . . 21 ILE C . 10215 1 205 . 1 1 22 22 GLU N N 15 124.786 0.300 . 1 . . . . 22 GLU N . 10215 1 206 . 1 1 22 22 GLU H H 1 8.328 0.030 . 1 . . . . 22 GLU H . 10215 1 207 . 1 1 22 22 GLU CA C 13 56.983 0.300 . 1 . . . . 22 GLU CA . 10215 1 208 . 1 1 22 22 GLU HA H 1 4.439 0.030 . 1 . . . . 22 GLU HA . 10215 1 209 . 1 1 22 22 GLU CB C 13 32.206 0.300 . 1 . . . . 22 GLU CB . 10215 1 210 . 1 1 22 22 GLU HB2 H 1 1.917 0.030 . 2 . . . . 22 GLU HB2 . 10215 1 211 . 1 1 22 22 GLU HB3 H 1 1.780 0.030 . 2 . . . . 22 GLU HB3 . 10215 1 212 . 1 1 22 22 GLU CG C 13 38.532 0.300 . 1 . . . . 22 GLU CG . 10215 1 213 . 1 1 22 22 GLU HG2 H 1 2.025 0.030 . 2 . . . . 22 GLU HG2 . 10215 1 214 . 1 1 22 22 GLU HG3 H 1 1.992 0.030 . 2 . . . . 22 GLU HG3 . 10215 1 215 . 1 1 22 22 GLU C C 13 176.960 0.300 . 1 . . . . 22 GLU C . 10215 1 216 . 1 1 23 23 ASP N N 15 128.273 0.300 . 1 . . . . 23 ASP N . 10215 1 217 . 1 1 23 23 ASP H H 1 8.412 0.030 . 1 . . . . 23 ASP H . 10215 1 218 . 1 1 23 23 ASP CA C 13 53.796 0.300 . 1 . . . . 23 ASP CA . 10215 1 219 . 1 1 23 23 ASP HA H 1 5.093 0.030 . 1 . . . . 23 ASP HA . 10215 1 220 . 1 1 23 23 ASP CB C 13 47.804 0.300 . 1 . . . . 23 ASP CB . 10215 1 221 . 1 1 23 23 ASP HB2 H 1 2.733 0.030 . 2 . . . . 23 ASP HB2 . 10215 1 222 . 1 1 23 23 ASP HB3 H 1 3.175 0.030 . 2 . . . . 23 ASP HB3 . 10215 1 223 . 1 1 23 23 ASP C C 13 177.989 0.300 . 1 . . . . 23 ASP C . 10215 1 224 . 1 1 24 24 PRO CA C 13 66.947 0.300 . 1 . . . . 24 PRO CA . 10215 1 225 . 1 1 24 24 PRO HA H 1 4.377 0.030 . 1 . . . . 24 PRO HA . 10215 1 226 . 1 1 24 24 PRO CB C 13 34.504 0.300 . 1 . . . . 24 PRO CB . 10215 1 227 . 1 1 24 24 PRO HB2 H 1 1.948 0.030 . 2 . . . . 24 PRO HB2 . 10215 1 228 . 1 1 24 24 PRO HB3 H 1 2.354 0.030 . 2 . . . . 24 PRO HB3 . 10215 1 229 . 1 1 24 24 PRO CG C 13 29.587 0.300 . 1 . . . . 24 PRO CG . 10215 1 230 . 1 1 24 24 PRO HG2 H 1 2.074 0.030 . 2 . . . . 24 PRO HG2 . 10215 1 231 . 1 1 24 24 PRO HG3 H 1 2.009 0.030 . 2 . . . . 24 PRO HG3 . 10215 1 232 . 1 1 24 24 PRO CD C 13 53.348 0.300 . 1 . . . . 24 PRO CD . 10215 1 233 . 1 1 24 24 PRO HD2 H 1 3.857 0.030 . 2 . . . . 24 PRO HD2 . 10215 1 234 . 1 1 24 24 PRO HD3 H 1 3.784 0.030 . 2 . . . . 24 PRO HD3 . 10215 1 235 . 1 1 24 24 PRO C C 13 178.884 0.300 . 1 . . . . 24 PRO C . 10215 1 236 . 1 1 25 25 VAL N N 15 118.954 0.300 . 1 . . . . 25 VAL N . 10215 1 237 . 1 1 25 25 VAL H H 1 8.498 0.030 . 1 . . . . 25 VAL H . 10215 1 238 . 1 1 25 25 VAL CA C 13 66.276 0.300 . 1 . . . . 25 VAL CA . 10215 1 239 . 1 1 25 25 VAL HA H 1 3.885 0.030 . 1 . . . . 25 VAL HA . 10215 1 240 . 1 1 25 25 VAL CB C 13 35.312 0.300 . 1 . . . . 25 VAL CB . 10215 1 241 . 1 1 25 25 VAL HB H 1 1.665 0.030 . 1 . . . . 25 VAL HB . 10215 1 242 . 1 1 25 25 VAL CG1 C 13 22.497 0.300 . 2 . . . . 25 VAL CG1 . 10215 1 243 . 1 1 25 25 VAL HG11 H 1 0.304 0.030 . 1 . . . . 25 VAL HG1 . 10215 1 244 . 1 1 25 25 VAL HG12 H 1 0.304 0.030 . 1 . . . . 25 VAL HG1 . 10215 1 245 . 1 1 25 25 VAL HG13 H 1 0.304 0.030 . 1 . . . . 25 VAL HG1 . 10215 1 246 . 1 1 25 25 VAL CG2 C 13 23.832 0.300 . 2 . . . . 25 VAL CG2 . 10215 1 247 . 1 1 25 25 VAL HG21 H 1 0.776 0.030 . 1 . . . . 25 VAL HG2 . 10215 1 248 . 1 1 25 25 VAL HG22 H 1 0.776 0.030 . 1 . . . . 25 VAL HG2 . 10215 1 249 . 1 1 25 25 VAL HG23 H 1 0.776 0.030 . 1 . . . . 25 VAL HG2 . 10215 1 250 . 1 1 25 25 VAL C C 13 179.867 0.300 . 1 . . . . 25 VAL C . 10215 1 251 . 1 1 26 26 TYR N N 15 118.189 0.300 . 1 . . . . 26 TYR N . 10215 1 252 . 1 1 26 26 TYR H H 1 8.623 0.030 . 1 . . . . 26 TYR H . 10215 1 253 . 1 1 26 26 TYR CA C 13 61.321 0.300 . 1 . . . . 26 TYR CA . 10215 1 254 . 1 1 26 26 TYR HA H 1 4.495 0.030 . 1 . . . . 26 TYR HA . 10215 1 255 . 1 1 26 26 TYR CB C 13 41.356 0.300 . 1 . . . . 26 TYR CB . 10215 1 256 . 1 1 26 26 TYR HB2 H 1 2.596 0.030 . 2 . . . . 26 TYR HB2 . 10215 1 257 . 1 1 26 26 TYR HB3 H 1 3.373 0.030 . 2 . . . . 26 TYR HB3 . 10215 1 258 . 1 1 26 26 TYR CD1 C 13 135.115 0.300 . 1 . . . . 26 TYR CD1 . 10215 1 259 . 1 1 26 26 TYR HD1 H 1 7.178 0.030 . 1 . . . . 26 TYR HD1 . 10215 1 260 . 1 1 26 26 TYR CD2 C 13 135.115 0.300 . 1 . . . . 26 TYR CD2 . 10215 1 261 . 1 1 26 26 TYR HD2 H 1 7.178 0.030 . 1 . . . . 26 TYR HD2 . 10215 1 262 . 1 1 26 26 TYR CE1 C 13 120.367 0.300 . 1 . . . . 26 TYR CE1 . 10215 1 263 . 1 1 26 26 TYR HE1 H 1 6.776 0.030 . 1 . . . . 26 TYR HE1 . 10215 1 264 . 1 1 26 26 TYR CE2 C 13 120.367 0.300 . 1 . . . . 26 TYR CE2 . 10215 1 265 . 1 1 26 26 TYR HE2 H 1 6.776 0.030 . 1 . . . . 26 TYR HE2 . 10215 1 266 . 1 1 26 26 TYR C C 13 178.462 0.300 . 1 . . . . 26 TYR C . 10215 1 267 . 1 1 27 27 GLY N N 15 110.334 0.300 . 1 . . . . 27 GLY N . 10215 1 268 . 1 1 27 27 GLY H H 1 8.220 0.030 . 1 . . . . 27 GLY H . 10215 1 269 . 1 1 27 27 GLY CA C 13 47.221 0.300 . 1 . . . . 27 GLY CA . 10215 1 270 . 1 1 27 27 GLY HA2 H 1 3.910 0.030 . 2 . . . . 27 GLY HA2 . 10215 1 271 . 1 1 27 27 GLY HA3 H 1 4.389 0.030 . 2 . . . . 27 GLY HA3 . 10215 1 272 . 1 1 27 27 GLY C C 13 175.432 0.300 . 1 . . . . 27 GLY C . 10215 1 273 . 1 1 28 28 ILE N N 15 121.398 0.300 . 1 . . . . 28 ILE N . 10215 1 274 . 1 1 28 28 ILE H H 1 8.281 0.030 . 1 . . . . 28 ILE H . 10215 1 275 . 1 1 28 28 ILE CA C 13 63.218 0.300 . 1 . . . . 28 ILE CA . 10215 1 276 . 1 1 28 28 ILE HA H 1 4.885 0.030 . 1 . . . . 28 ILE HA . 10215 1 277 . 1 1 28 28 ILE CB C 13 40.979 0.300 . 1 . . . . 28 ILE CB . 10215 1 278 . 1 1 28 28 ILE HB H 1 1.730 0.030 . 1 . . . . 28 ILE HB . 10215 1 279 . 1 1 28 28 ILE CG1 C 13 30.958 0.300 . 1 . . . . 28 ILE CG1 . 10215 1 280 . 1 1 28 28 ILE HG12 H 1 0.983 0.030 . 2 . . . . 28 ILE HG12 . 10215 1 281 . 1 1 28 28 ILE HG13 H 1 1.685 0.030 . 2 . . . . 28 ILE HG13 . 10215 1 282 . 1 1 28 28 ILE CG2 C 13 19.977 0.300 . 1 . . . . 28 ILE CG2 . 10215 1 283 . 1 1 28 28 ILE HG21 H 1 0.642 0.030 . 1 . . . . 28 ILE HG2 . 10215 1 284 . 1 1 28 28 ILE HG22 H 1 0.642 0.030 . 1 . . . . 28 ILE HG2 . 10215 1 285 . 1 1 28 28 ILE HG23 H 1 0.642 0.030 . 1 . . . . 28 ILE HG2 . 10215 1 286 . 1 1 28 28 ILE CD1 C 13 15.764 0.300 . 1 . . . . 28 ILE CD1 . 10215 1 287 . 1 1 28 28 ILE HD11 H 1 0.889 0.030 . 1 . . . . 28 ILE HD1 . 10215 1 288 . 1 1 28 28 ILE HD12 H 1 0.889 0.030 . 1 . . . . 28 ILE HD1 . 10215 1 289 . 1 1 28 28 ILE HD13 H 1 0.889 0.030 . 1 . . . . 28 ILE HD1 . 10215 1 290 . 1 1 28 28 ILE C C 13 179.002 0.300 . 1 . . . . 28 ILE C . 10215 1 291 . 1 1 29 29 TYR N N 15 124.797 0.300 . 1 . . . . 29 TYR N . 10215 1 292 . 1 1 29 29 TYR H H 1 8.812 0.030 . 1 . . . . 29 TYR H . 10215 1 293 . 1 1 29 29 TYR CA C 13 58.567 0.300 . 1 . . . . 29 TYR CA . 10215 1 294 . 1 1 29 29 TYR HA H 1 4.691 0.030 . 1 . . . . 29 TYR HA . 10215 1 295 . 1 1 29 29 TYR CB C 13 41.239 0.300 . 1 . . . . 29 TYR CB . 10215 1 296 . 1 1 29 29 TYR HB2 H 1 2.865 0.030 . 2 . . . . 29 TYR HB2 . 10215 1 297 . 1 1 29 29 TYR HB3 H 1 2.611 0.030 . 2 . . . . 29 TYR HB3 . 10215 1 298 . 1 1 29 29 TYR CD1 C 13 136.083 0.300 . 1 . . . . 29 TYR CD1 . 10215 1 299 . 1 1 29 29 TYR HD1 H 1 6.830 0.030 . 1 . . . . 29 TYR HD1 . 10215 1 300 . 1 1 29 29 TYR CD2 C 13 136.083 0.300 . 1 . . . . 29 TYR CD2 . 10215 1 301 . 1 1 29 29 TYR HD2 H 1 6.830 0.030 . 1 . . . . 29 TYR HD2 . 10215 1 302 . 1 1 29 29 TYR CE1 C 13 119.851 0.300 . 1 . . . . 29 TYR CE1 . 10215 1 303 . 1 1 29 29 TYR HE1 H 1 6.554 0.030 . 1 . . . . 29 TYR HE1 . 10215 1 304 . 1 1 29 29 TYR CE2 C 13 119.851 0.300 . 1 . . . . 29 TYR CE2 . 10215 1 305 . 1 1 29 29 TYR HE2 H 1 6.554 0.030 . 1 . . . . 29 TYR HE2 . 10215 1 306 . 1 1 29 29 TYR C C 13 173.343 0.300 . 1 . . . . 29 TYR C . 10215 1 307 . 1 1 30 30 TYR N N 15 117.085 0.300 . 1 . . . . 30 TYR N . 10215 1 308 . 1 1 30 30 TYR H H 1 8.925 0.030 . 1 . . . . 30 TYR H . 10215 1 309 . 1 1 30 30 TYR CA C 13 59.179 0.300 . 1 . . . . 30 TYR CA . 10215 1 310 . 1 1 30 30 TYR HA H 1 5.431 0.030 . 1 . . . . 30 TYR HA . 10215 1 311 . 1 1 30 30 TYR CB C 13 43.770 0.300 . 1 . . . . 30 TYR CB . 10215 1 312 . 1 1 30 30 TYR HB2 H 1 3.083 0.030 . 2 . . . . 30 TYR HB2 . 10215 1 313 . 1 1 30 30 TYR HB3 H 1 2.874 0.030 . 2 . . . . 30 TYR HB3 . 10215 1 314 . 1 1 30 30 TYR CD1 C 13 135.778 0.300 . 1 . . . . 30 TYR CD1 . 10215 1 315 . 1 1 30 30 TYR HD1 H 1 6.897 0.030 . 1 . . . . 30 TYR HD1 . 10215 1 316 . 1 1 30 30 TYR CD2 C 13 135.778 0.300 . 1 . . . . 30 TYR CD2 . 10215 1 317 . 1 1 30 30 TYR HD2 H 1 6.897 0.030 . 1 . . . . 30 TYR HD2 . 10215 1 318 . 1 1 30 30 TYR CE1 C 13 119.495 0.300 . 1 . . . . 30 TYR CE1 . 10215 1 319 . 1 1 30 30 TYR HE1 H 1 6.740 0.030 . 1 . . . . 30 TYR HE1 . 10215 1 320 . 1 1 30 30 TYR CE2 C 13 119.495 0.300 . 1 . . . . 30 TYR CE2 . 10215 1 321 . 1 1 30 30 TYR HE2 H 1 6.740 0.030 . 1 . . . . 30 TYR HE2 . 10215 1 322 . 1 1 30 30 TYR C C 13 177.375 0.300 . 1 . . . . 30 TYR C . 10215 1 323 . 1 1 31 31 VAL N N 15 121.450 0.300 . 1 . . . . 31 VAL N . 10215 1 324 . 1 1 31 31 VAL H H 1 9.204 0.030 . 1 . . . . 31 VAL H . 10215 1 325 . 1 1 31 31 VAL CA C 13 62.688 0.300 . 1 . . . . 31 VAL CA . 10215 1 326 . 1 1 31 31 VAL HA H 1 4.633 0.030 . 1 . . . . 31 VAL HA . 10215 1 327 . 1 1 31 31 VAL CB C 13 37.509 0.300 . 1 . . . . 31 VAL CB . 10215 1 328 . 1 1 31 31 VAL HB H 1 1.720 0.030 . 1 . . . . 31 VAL HB . 10215 1 329 . 1 1 31 31 VAL CG1 C 13 22.355 0.300 . 2 . . . . 31 VAL CG1 . 10215 1 330 . 1 1 31 31 VAL HG11 H 1 0.478 0.030 . 1 . . . . 31 VAL HG1 . 10215 1 331 . 1 1 31 31 VAL HG12 H 1 0.478 0.030 . 1 . . . . 31 VAL HG1 . 10215 1 332 . 1 1 31 31 VAL HG13 H 1 0.478 0.030 . 1 . . . . 31 VAL HG1 . 10215 1 333 . 1 1 31 31 VAL CG2 C 13 23.721 0.300 . 2 . . . . 31 VAL CG2 . 10215 1 334 . 1 1 31 31 VAL HG21 H 1 0.829 0.030 . 1 . . . . 31 VAL HG2 . 10215 1 335 . 1 1 31 31 VAL HG22 H 1 0.829 0.030 . 1 . . . . 31 VAL HG2 . 10215 1 336 . 1 1 31 31 VAL HG23 H 1 0.829 0.030 . 1 . . . . 31 VAL HG2 . 10215 1 337 . 1 1 31 31 VAL C C 13 175.631 0.300 . 1 . . . . 31 VAL C . 10215 1 338 . 1 1 32 32 ASP N N 15 126.397 0.300 . 1 . . . . 32 ASP N . 10215 1 339 . 1 1 32 32 ASP H H 1 8.361 0.030 . 1 . . . . 32 ASP H . 10215 1 340 . 1 1 32 32 ASP CA C 13 53.716 0.300 . 1 . . . . 32 ASP CA . 10215 1 341 . 1 1 32 32 ASP HA H 1 3.844 0.030 . 1 . . . . 32 ASP HA . 10215 1 342 . 1 1 32 32 ASP CB C 13 41.631 0.300 . 1 . . . . 32 ASP CB . 10215 1 343 . 1 1 32 32 ASP HB2 H 1 1.944 0.030 . 2 . . . . 32 ASP HB2 . 10215 1 344 . 1 1 32 32 ASP HB3 H 1 0.172 0.030 . 2 . . . . 32 ASP HB3 . 10215 1 345 . 1 1 32 32 ASP C C 13 179.908 0.300 . 1 . . . . 32 ASP C . 10215 1 346 . 1 1 33 33 HIS N N 15 122.272 0.300 . 1 . . . . 33 HIS N . 10215 1 347 . 1 1 33 33 HIS H H 1 8.636 0.030 . 1 . . . . 33 HIS H . 10215 1 348 . 1 1 33 33 HIS CA C 13 60.587 0.300 . 1 . . . . 33 HIS CA . 10215 1 349 . 1 1 33 33 HIS HA H 1 4.269 0.030 . 1 . . . . 33 HIS HA . 10215 1 350 . 1 1 33 33 HIS CB C 13 33.066 0.300 . 1 . . . . 33 HIS CB . 10215 1 351 . 1 1 33 33 HIS HB2 H 1 3.083 0.030 . 1 . . . . 33 HIS HB2 . 10215 1 352 . 1 1 33 33 HIS HB3 H 1 3.083 0.030 . 1 . . . . 33 HIS HB3 . 10215 1 353 . 1 1 33 33 HIS CD2 C 13 120.939 0.300 . 1 . . . . 33 HIS CD2 . 10215 1 354 . 1 1 33 33 HIS HD2 H 1 6.960 0.030 . 1 . . . . 33 HIS HD2 . 10215 1 355 . 1 1 33 33 HIS CE1 C 13 140.868 0.300 . 1 . . . . 33 HIS CE1 . 10215 1 356 . 1 1 33 33 HIS HE1 H 1 7.827 0.030 . 1 . . . . 33 HIS HE1 . 10215 1 357 . 1 1 33 33 HIS C C 13 178.929 0.300 . 1 . . . . 33 HIS C . 10215 1 358 . 1 1 34 34 ILE N N 15 120.451 0.300 . 1 . . . . 34 ILE N . 10215 1 359 . 1 1 34 34 ILE H H 1 8.133 0.030 . 1 . . . . 34 ILE H . 10215 1 360 . 1 1 34 34 ILE CA C 13 65.440 0.300 . 1 . . . . 34 ILE CA . 10215 1 361 . 1 1 34 34 ILE HA H 1 3.880 0.030 . 1 . . . . 34 ILE HA . 10215 1 362 . 1 1 34 34 ILE CB C 13 39.306 0.300 . 1 . . . . 34 ILE CB . 10215 1 363 . 1 1 34 34 ILE HB H 1 1.978 0.030 . 1 . . . . 34 ILE HB . 10215 1 364 . 1 1 34 34 ILE CG1 C 13 30.392 0.300 . 1 . . . . 34 ILE CG1 . 10215 1 365 . 1 1 34 34 ILE HG12 H 1 1.200 0.030 . 2 . . . . 34 ILE HG12 . 10215 1 366 . 1 1 34 34 ILE HG13 H 1 1.554 0.030 . 2 . . . . 34 ILE HG13 . 10215 1 367 . 1 1 34 34 ILE CG2 C 13 18.952 0.300 . 1 . . . . 34 ILE CG2 . 10215 1 368 . 1 1 34 34 ILE HG21 H 1 0.806 0.030 . 1 . . . . 34 ILE HG2 . 10215 1 369 . 1 1 34 34 ILE HG22 H 1 0.806 0.030 . 1 . . . . 34 ILE HG2 . 10215 1 370 . 1 1 34 34 ILE HG23 H 1 0.806 0.030 . 1 . . . . 34 ILE HG2 . 10215 1 371 . 1 1 34 34 ILE CD1 C 13 13.758 0.300 . 1 . . . . 34 ILE CD1 . 10215 1 372 . 1 1 34 34 ILE HD11 H 1 0.837 0.030 . 1 . . . . 34 ILE HD1 . 10215 1 373 . 1 1 34 34 ILE HD12 H 1 0.837 0.030 . 1 . . . . 34 ILE HD1 . 10215 1 374 . 1 1 34 34 ILE HD13 H 1 0.837 0.030 . 1 . . . . 34 ILE HD1 . 10215 1 375 . 1 1 34 34 ILE C C 13 179.561 0.300 . 1 . . . . 34 ILE C . 10215 1 376 . 1 1 35 35 ASN N N 15 116.293 0.300 . 1 . . . . 35 ASN N . 10215 1 377 . 1 1 35 35 ASN H H 1 7.748 0.030 . 1 . . . . 35 ASN H . 10215 1 378 . 1 1 35 35 ASN CA C 13 55.406 0.300 . 1 . . . . 35 ASN CA . 10215 1 379 . 1 1 35 35 ASN HA H 1 4.623 0.030 . 1 . . . . 35 ASN HA . 10215 1 380 . 1 1 35 35 ASN CB C 13 41.081 0.300 . 1 . . . . 35 ASN CB . 10215 1 381 . 1 1 35 35 ASN HB2 H 1 2.397 0.030 . 2 . . . . 35 ASN HB2 . 10215 1 382 . 1 1 35 35 ASN HB3 H 1 2.662 0.030 . 2 . . . . 35 ASN HB3 . 10215 1 383 . 1 1 35 35 ASN ND2 N 15 119.408 0.300 . 1 . . . . 35 ASN ND2 . 10215 1 384 . 1 1 35 35 ASN HD21 H 1 7.021 0.030 . 2 . . . . 35 ASN HD21 . 10215 1 385 . 1 1 35 35 ASN HD22 H 1 9.014 0.030 . 2 . . . . 35 ASN HD22 . 10215 1 386 . 1 1 35 35 ASN C C 13 176.331 0.300 . 1 . . . . 35 ASN C . 10215 1 387 . 1 1 36 36 ARG N N 15 118.342 0.300 . 1 . . . . 36 ARG N . 10215 1 388 . 1 1 36 36 ARG H H 1 7.691 0.030 . 1 . . . . 36 ARG H . 10215 1 389 . 1 1 36 36 ARG CA C 13 58.927 0.300 . 1 . . . . 36 ARG CA . 10215 1 390 . 1 1 36 36 ARG HA H 1 3.921 0.030 . 1 . . . . 36 ARG HA . 10215 1 391 . 1 1 36 36 ARG CB C 13 28.757 0.300 . 1 . . . . 36 ARG CB . 10215 1 392 . 1 1 36 36 ARG HB2 H 1 2.002 0.030 . 2 . . . . 36 ARG HB2 . 10215 1 393 . 1 1 36 36 ARG HB3 H 1 1.792 0.030 . 2 . . . . 36 ARG HB3 . 10215 1 394 . 1 1 36 36 ARG CG C 13 29.438 0.300 . 1 . . . . 36 ARG CG . 10215 1 395 . 1 1 36 36 ARG HG2 H 1 1.470 0.030 . 1 . . . . 36 ARG HG2 . 10215 1 396 . 1 1 36 36 ARG HG3 H 1 1.470 0.030 . 1 . . . . 36 ARG HG3 . 10215 1 397 . 1 1 36 36 ARG CD C 13 45.618 0.300 . 1 . . . . 36 ARG CD . 10215 1 398 . 1 1 36 36 ARG HD2 H 1 3.147 0.030 . 1 . . . . 36 ARG HD2 . 10215 1 399 . 1 1 36 36 ARG HD3 H 1 3.147 0.030 . 1 . . . . 36 ARG HD3 . 10215 1 400 . 1 1 36 36 ARG C C 13 177.156 0.300 . 1 . . . . 36 ARG C . 10215 1 401 . 1 1 37 37 LYS N N 15 118.394 0.300 . 1 . . . . 37 LYS N . 10215 1 402 . 1 1 37 37 LYS H H 1 7.574 0.030 . 1 . . . . 37 LYS H . 10215 1 403 . 1 1 37 37 LYS CA C 13 56.975 0.300 . 1 . . . . 37 LYS CA . 10215 1 404 . 1 1 37 37 LYS HA H 1 4.761 0.030 . 1 . . . . 37 LYS HA . 10215 1 405 . 1 1 37 37 LYS CB C 13 38.331 0.300 . 1 . . . . 37 LYS CB . 10215 1 406 . 1 1 37 37 LYS HB2 H 1 1.587 0.030 . 2 . . . . 37 LYS HB2 . 10215 1 407 . 1 1 37 37 LYS HB3 H 1 1.869 0.030 . 2 . . . . 37 LYS HB3 . 10215 1 408 . 1 1 37 37 LYS CG C 13 26.789 0.300 . 1 . . . . 37 LYS CG . 10215 1 409 . 1 1 37 37 LYS HG2 H 1 1.284 0.030 . 2 . . . . 37 LYS HG2 . 10215 1 410 . 1 1 37 37 LYS HG3 H 1 1.337 0.030 . 2 . . . . 37 LYS HG3 . 10215 1 411 . 1 1 37 37 LYS CD C 13 31.267 0.300 . 1 . . . . 37 LYS CD . 10215 1 412 . 1 1 37 37 LYS HD2 H 1 1.736 0.030 . 1 . . . . 37 LYS HD2 . 10215 1 413 . 1 1 37 37 LYS HD3 H 1 1.736 0.030 . 1 . . . . 37 LYS HD3 . 10215 1 414 . 1 1 37 37 LYS CE C 13 44.495 0.300 . 1 . . . . 37 LYS CE . 10215 1 415 . 1 1 37 37 LYS HE2 H 1 3.043 0.030 . 1 . . . . 37 LYS HE2 . 10215 1 416 . 1 1 37 37 LYS HE3 H 1 3.043 0.030 . 1 . . . . 37 LYS HE3 . 10215 1 417 . 1 1 37 37 LYS C C 13 177.346 0.300 . 1 . . . . 37 LYS C . 10215 1 418 . 1 1 38 38 THR N N 15 114.847 0.300 . 1 . . . . 38 THR N . 10215 1 419 . 1 1 38 38 THR H H 1 8.348 0.030 . 1 . . . . 38 THR H . 10215 1 420 . 1 1 38 38 THR CA C 13 63.013 0.300 . 1 . . . . 38 THR CA . 10215 1 421 . 1 1 38 38 THR HA H 1 5.369 0.030 . 1 . . . . 38 THR HA . 10215 1 422 . 1 1 38 38 THR CB C 13 73.561 0.300 . 1 . . . . 38 THR CB . 10215 1 423 . 1 1 38 38 THR HB H 1 4.008 0.030 . 1 . . . . 38 THR HB . 10215 1 424 . 1 1 38 38 THR CG2 C 13 24.228 0.300 . 1 . . . . 38 THR CG2 . 10215 1 425 . 1 1 38 38 THR HG21 H 1 1.062 0.030 . 1 . . . . 38 THR HG2 . 10215 1 426 . 1 1 38 38 THR HG22 H 1 1.062 0.030 . 1 . . . . 38 THR HG2 . 10215 1 427 . 1 1 38 38 THR HG23 H 1 1.062 0.030 . 1 . . . . 38 THR HG2 . 10215 1 428 . 1 1 38 38 THR C C 13 176.244 0.300 . 1 . . . . 38 THR C . 10215 1 429 . 1 1 39 39 GLN N N 15 118.695 0.300 . 1 . . . . 39 GLN N . 10215 1 430 . 1 1 39 39 GLN H H 1 9.258 0.030 . 1 . . . . 39 GLN H . 10215 1 431 . 1 1 39 39 GLN CA C 13 57.417 0.300 . 1 . . . . 39 GLN CA . 10215 1 432 . 1 1 39 39 GLN HA H 1 4.862 0.030 . 1 . . . . 39 GLN HA . 10215 1 433 . 1 1 39 39 GLN CB C 13 33.937 0.300 . 1 . . . . 39 GLN CB . 10215 1 434 . 1 1 39 39 GLN HB2 H 1 2.482 0.030 . 2 . . . . 39 GLN HB2 . 10215 1 435 . 1 1 39 39 GLN HB3 H 1 2.276 0.030 . 2 . . . . 39 GLN HB3 . 10215 1 436 . 1 1 39 39 GLN CG C 13 34.627 0.300 . 1 . . . . 39 GLN CG . 10215 1 437 . 1 1 39 39 GLN HG2 H 1 2.574 0.030 . 2 . . . . 39 GLN HG2 . 10215 1 438 . 1 1 39 39 GLN HG3 H 1 2.390 0.030 . 2 . . . . 39 GLN HG3 . 10215 1 439 . 1 1 39 39 GLN NE2 N 15 113.882 0.300 . 1 . . . . 39 GLN NE2 . 10215 1 440 . 1 1 39 39 GLN HE21 H 1 7.566 0.030 . 2 . . . . 39 GLN HE21 . 10215 1 441 . 1 1 39 39 GLN HE22 H 1 6.982 0.030 . 2 . . . . 39 GLN HE22 . 10215 1 442 . 1 1 39 39 GLN C C 13 176.863 0.300 . 1 . . . . 39 GLN C . 10215 1 443 . 1 1 40 40 TYR N N 15 119.839 0.300 . 1 . . . . 40 TYR N . 10215 1 444 . 1 1 40 40 TYR H H 1 8.969 0.030 . 1 . . . . 40 TYR H . 10215 1 445 . 1 1 40 40 TYR CA C 13 62.528 0.300 . 1 . . . . 40 TYR CA . 10215 1 446 . 1 1 40 40 TYR HA H 1 4.737 0.030 . 1 . . . . 40 TYR HA . 10215 1 447 . 1 1 40 40 TYR CB C 13 41.283 0.300 . 1 . . . . 40 TYR CB . 10215 1 448 . 1 1 40 40 TYR HB2 H 1 2.934 0.030 . 2 . . . . 40 TYR HB2 . 10215 1 449 . 1 1 40 40 TYR HB3 H 1 3.340 0.030 . 2 . . . . 40 TYR HB3 . 10215 1 450 . 1 1 40 40 TYR CD1 C 13 135.631 0.300 . 1 . . . . 40 TYR CD1 . 10215 1 451 . 1 1 40 40 TYR HD1 H 1 7.409 0.030 . 1 . . . . 40 TYR HD1 . 10215 1 452 . 1 1 40 40 TYR CD2 C 13 135.631 0.300 . 1 . . . . 40 TYR CD2 . 10215 1 453 . 1 1 40 40 TYR HD2 H 1 7.409 0.030 . 1 . . . . 40 TYR HD2 . 10215 1 454 . 1 1 40 40 TYR CE1 C 13 120.571 0.300 . 1 . . . . 40 TYR CE1 . 10215 1 455 . 1 1 40 40 TYR HE1 H 1 6.835 0.030 . 1 . . . . 40 TYR HE1 . 10215 1 456 . 1 1 40 40 TYR CE2 C 13 120.571 0.300 . 1 . . . . 40 TYR CE2 . 10215 1 457 . 1 1 40 40 TYR HE2 H 1 6.835 0.030 . 1 . . . . 40 TYR HE2 . 10215 1 458 . 1 1 40 40 TYR C C 13 178.553 0.300 . 1 . . . . 40 TYR C . 10215 1 459 . 1 1 41 41 GLU N N 15 119.641 0.300 . 1 . . . . 41 GLU N . 10215 1 460 . 1 1 41 41 GLU H H 1 8.136 0.030 . 1 . . . . 41 GLU H . 10215 1 461 . 1 1 41 41 GLU CA C 13 58.710 0.300 . 1 . . . . 41 GLU CA . 10215 1 462 . 1 1 41 41 GLU HA H 1 4.357 0.030 . 1 . . . . 41 GLU HA . 10215 1 463 . 1 1 41 41 GLU CB C 13 32.272 0.300 . 1 . . . . 41 GLU CB . 10215 1 464 . 1 1 41 41 GLU HB2 H 1 1.881 0.030 . 2 . . . . 41 GLU HB2 . 10215 1 465 . 1 1 41 41 GLU HB3 H 1 1.933 0.030 . 2 . . . . 41 GLU HB3 . 10215 1 466 . 1 1 41 41 GLU CG C 13 38.694 0.300 . 1 . . . . 41 GLU CG . 10215 1 467 . 1 1 41 41 GLU HG2 H 1 2.345 0.030 . 2 . . . . 41 GLU HG2 . 10215 1 468 . 1 1 41 41 GLU HG3 H 1 2.255 0.030 . 2 . . . . 41 GLU HG3 . 10215 1 469 . 1 1 41 41 GLU C C 13 177.835 0.300 . 1 . . . . 41 GLU C . 10215 1 470 . 1 1 42 42 ASN N N 15 123.220 0.300 . 1 . . . . 42 ASN N . 10215 1 471 . 1 1 42 42 ASN H H 1 8.597 0.030 . 1 . . . . 42 ASN H . 10215 1 472 . 1 1 42 42 ASN CA C 13 53.458 0.300 . 1 . . . . 42 ASN CA . 10215 1 473 . 1 1 42 42 ASN HA H 1 4.351 0.030 . 1 . . . . 42 ASN HA . 10215 1 474 . 1 1 42 42 ASN CB C 13 40.674 0.300 . 1 . . . . 42 ASN CB . 10215 1 475 . 1 1 42 42 ASN HB2 H 1 2.526 0.030 . 2 . . . . 42 ASN HB2 . 10215 1 476 . 1 1 42 42 ASN HB3 H 1 2.671 0.030 . 2 . . . . 42 ASN HB3 . 10215 1 477 . 1 1 42 42 ASN ND2 N 15 112.216 0.300 . 1 . . . . 42 ASN ND2 . 10215 1 478 . 1 1 42 42 ASN HD21 H 1 6.859 0.030 . 2 . . . . 42 ASN HD21 . 10215 1 479 . 1 1 42 42 ASN HD22 H 1 7.489 0.030 . 2 . . . . 42 ASN HD22 . 10215 1 480 . 1 1 42 42 ASN C C 13 177.142 0.300 . 1 . . . . 42 ASN C . 10215 1 481 . 1 1 43 43 PRO CA C 13 65.366 0.300 . 1 . . . . 43 PRO CA . 10215 1 482 . 1 1 43 43 PRO HA H 1 3.966 0.030 . 1 . . . . 43 PRO HA . 10215 1 483 . 1 1 43 43 PRO CB C 13 33.339 0.300 . 1 . . . . 43 PRO CB . 10215 1 484 . 1 1 43 43 PRO HB2 H 1 0.918 0.030 . 2 . . . . 43 PRO HB2 . 10215 1 485 . 1 1 43 43 PRO CG C 13 28.558 0.300 . 1 . . . . 43 PRO CG . 10215 1 486 . 1 1 43 43 PRO CD C 13 52.545 0.300 . 1 . . . . 43 PRO CD . 10215 1 487 . 1 1 43 43 PRO HD2 H 1 2.752 0.030 . 2 . . . . 43 PRO HD2 . 10215 1 488 . 1 1 43 43 PRO C C 13 178.905 0.300 . 1 . . . . 43 PRO C . 10215 1 489 . 1 1 44 44 SER N N 15 116.274 0.300 . 1 . . . . 44 SER N . 10215 1 490 . 1 1 44 44 SER H H 1 8.245 0.030 . 1 . . . . 44 SER H . 10215 1 491 . 1 1 44 44 SER CA C 13 61.072 0.300 . 1 . . . . 44 SER CA . 10215 1 492 . 1 1 44 44 SER HA H 1 4.268 0.030 . 1 . . . . 44 SER HA . 10215 1 493 . 1 1 44 44 SER CB C 13 65.891 0.300 . 1 . . . . 44 SER CB . 10215 1 494 . 1 1 44 44 SER HB2 H 1 3.769 0.030 . 2 . . . . 44 SER HB2 . 10215 1 495 . 1 1 44 44 SER HB3 H 1 3.678 0.030 . 2 . . . . 44 SER HB3 . 10215 1 496 . 1 1 44 44 SER C C 13 176.440 0.300 . 1 . . . . 44 SER C . 10215 1 497 . 1 1 45 45 GLY N N 15 109.785 0.300 . 1 . . . . 45 GLY N . 10215 1 498 . 1 1 45 45 GLY H H 1 7.793 0.030 . 1 . . . . 45 GLY H . 10215 1 499 . 1 1 45 45 GLY CA C 13 46.773 0.300 . 1 . . . . 45 GLY CA . 10215 1 500 . 1 1 45 45 GLY HA2 H 1 4.062 0.030 . 2 . . . . 45 GLY HA2 . 10215 1 501 . 1 1 45 45 GLY HA3 H 1 4.016 0.030 . 2 . . . . 45 GLY HA3 . 10215 1 502 . 1 1 45 45 GLY C C 13 173.701 0.300 . 1 . . . . 45 GLY C . 10215 1 503 . 1 1 46 46 PRO CA C 13 65.308 0.300 . 1 . . . . 46 PRO CA . 10215 1 504 . 1 1 46 46 PRO HA H 1 4.479 0.030 . 1 . . . . 46 PRO HA . 10215 1 505 . 1 1 46 46 PRO CB C 13 34.414 0.300 . 1 . . . . 46 PRO CB . 10215 1 506 . 1 1 46 46 PRO HB2 H 1 2.281 0.030 . 2 . . . . 46 PRO HB2 . 10215 1 507 . 1 1 46 46 PRO HB3 H 1 1.982 0.030 . 2 . . . . 46 PRO HB3 . 10215 1 508 . 1 1 46 46 PRO CG C 13 29.345 0.300 . 1 . . . . 46 PRO CG . 10215 1 509 . 1 1 46 46 PRO HG2 H 1 2.002 0.030 . 1 . . . . 46 PRO HG2 . 10215 1 510 . 1 1 46 46 PRO HG3 H 1 2.002 0.030 . 1 . . . . 46 PRO HG3 . 10215 1 511 . 1 1 46 46 PRO CD C 13 51.962 0.300 . 1 . . . . 46 PRO CD . 10215 1 512 . 1 1 46 46 PRO HD2 H 1 3.579 0.030 . 1 . . . . 46 PRO HD2 . 10215 1 513 . 1 1 46 46 PRO HD3 H 1 3.579 0.030 . 1 . . . . 46 PRO HD3 . 10215 1 514 . 1 1 46 46 PRO C C 13 179.687 0.300 . 1 . . . . 46 PRO C . 10215 1 515 . 1 1 47 47 SER N N 15 116.800 0.300 . 1 . . . . 47 SER N . 10215 1 516 . 1 1 47 47 SER H H 1 8.557 0.030 . 1 . . . . 47 SER H . 10215 1 517 . 1 1 47 47 SER CA C 13 60.610 0.300 . 1 . . . . 47 SER CA . 10215 1 518 . 1 1 47 47 SER HA H 1 4.503 0.030 . 1 . . . . 47 SER HA . 10215 1 519 . 1 1 47 47 SER CB C 13 66.122 0.300 . 1 . . . . 47 SER CB . 10215 1 520 . 1 1 47 47 SER HB2 H 1 3.929 0.030 . 1 . . . . 47 SER HB2 . 10215 1 521 . 1 1 47 47 SER HB3 H 1 3.929 0.030 . 1 . . . . 47 SER HB3 . 10215 1 522 . 1 1 47 47 SER C C 13 177.035 0.300 . 1 . . . . 47 SER C . 10215 1 523 . 1 1 48 48 SER N N 15 118.250 0.300 . 1 . . . . 48 SER N . 10215 1 524 . 1 1 48 48 SER H H 1 8.402 0.030 . 1 . . . . 48 SER H . 10215 1 525 . 1 1 48 48 SER CA C 13 60.804 0.300 . 1 . . . . 48 SER CA . 10215 1 526 . 1 1 48 48 SER HA H 1 4.529 0.030 . 1 . . . . 48 SER HA . 10215 1 527 . 1 1 48 48 SER CB C 13 66.152 0.300 . 1 . . . . 48 SER CB . 10215 1 528 . 1 1 48 48 SER HB2 H 1 3.926 0.030 . 1 . . . . 48 SER HB2 . 10215 1 529 . 1 1 48 48 SER HB3 H 1 3.926 0.030 . 1 . . . . 48 SER HB3 . 10215 1 530 . 1 1 48 48 SER C C 13 176.272 0.300 . 1 . . . . 48 SER C . 10215 1 531 . 1 1 49 49 GLY N N 15 117.143 0.300 . 1 . . . . 49 GLY N . 10215 1 532 . 1 1 49 49 GLY H H 1 8.104 0.030 . 1 . . . . 49 GLY H . 10215 1 533 . 1 1 49 49 GLY CA C 13 48.540 0.300 . 1 . . . . 49 GLY CA . 10215 1 534 . 1 1 49 49 GLY HA2 H 1 3.809 0.030 . 1 . . . . 49 GLY HA2 . 10215 1 535 . 1 1 49 49 GLY HA3 H 1 3.809 0.030 . 1 . . . . 49 GLY HA3 . 10215 1 536 . 1 1 49 49 GLY C C 13 181.322 0.300 . 1 . . . . 49 GLY C . 10215 1 stop_ save_