################################### # 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11479 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 1H-15N NOESY' . . . 11479 1 2 '3D 1H-13C NOESY' . . . 11479 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 HA2 H 1 3.963 0.030 . 1 . . . . 7 GLY HA2 . 11479 1 2 . 1 1 7 7 GLY HA3 H 1 3.963 0.030 . 1 . . . . 7 GLY HA3 . 11479 1 3 . 1 1 7 7 GLY C C 13 173.654 0.300 . 1 . . . . 7 GLY C . 11479 1 4 . 1 1 7 7 GLY CA C 13 45.214 0.300 . 1 . . . . 7 GLY CA . 11479 1 5 . 1 1 8 8 ILE H H 1 7.917 0.030 . 1 . . . . 8 ILE H . 11479 1 6 . 1 1 8 8 ILE HA H 1 4.100 0.030 . 1 . . . . 8 ILE HA . 11479 1 7 . 1 1 8 8 ILE HB H 1 1.810 0.030 . 1 . . . . 8 ILE HB . 11479 1 8 . 1 1 8 8 ILE HD11 H 1 0.855 0.030 . 1 . . . . 8 ILE HD1 . 11479 1 9 . 1 1 8 8 ILE HD12 H 1 0.855 0.030 . 1 . . . . 8 ILE HD1 . 11479 1 10 . 1 1 8 8 ILE HD13 H 1 0.855 0.030 . 1 . . . . 8 ILE HD1 . 11479 1 11 . 1 1 8 8 ILE HG12 H 1 1.441 0.030 . 2 . . . . 8 ILE HG12 . 11479 1 12 . 1 1 8 8 ILE HG13 H 1 1.151 0.030 . 2 . . . . 8 ILE HG13 . 11479 1 13 . 1 1 8 8 ILE HG21 H 1 0.861 0.030 . 1 . . . . 8 ILE HG2 . 11479 1 14 . 1 1 8 8 ILE HG22 H 1 0.861 0.030 . 1 . . . . 8 ILE HG2 . 11479 1 15 . 1 1 8 8 ILE HG23 H 1 0.861 0.030 . 1 . . . . 8 ILE HG2 . 11479 1 16 . 1 1 8 8 ILE C C 13 175.522 0.300 . 1 . . . . 8 ILE C . 11479 1 17 . 1 1 8 8 ILE CA C 13 61.009 0.300 . 1 . . . . 8 ILE CA . 11479 1 18 . 1 1 8 8 ILE CB C 13 38.845 0.300 . 1 . . . . 8 ILE CB . 11479 1 19 . 1 1 8 8 ILE CD1 C 13 12.914 0.300 . 1 . . . . 8 ILE CD1 . 11479 1 20 . 1 1 8 8 ILE CG1 C 13 27.277 0.300 . 1 . . . . 8 ILE CG1 . 11479 1 21 . 1 1 8 8 ILE CG2 C 13 17.428 0.300 . 1 . . . . 8 ILE CG2 . 11479 1 22 . 1 1 8 8 ILE N N 15 120.086 0.300 . 1 . . . . 8 ILE N . 11479 1 23 . 1 1 9 9 LEU H H 1 8.167 0.030 . 1 . . . . 9 LEU H . 11479 1 24 . 1 1 9 9 LEU HA H 1 4.030 0.030 . 1 . . . . 9 LEU HA . 11479 1 25 . 1 1 9 9 LEU HB2 H 1 1.508 0.030 . 2 . . . . 9 LEU HB2 . 11479 1 26 . 1 1 9 9 LEU HB3 H 1 1.185 0.030 . 2 . . . . 9 LEU HB3 . 11479 1 27 . 1 1 9 9 LEU HD11 H 1 0.726 0.030 . 1 . . . . 9 LEU HD1 . 11479 1 28 . 1 1 9 9 LEU HD12 H 1 0.726 0.030 . 1 . . . . 9 LEU HD1 . 11479 1 29 . 1 1 9 9 LEU HD13 H 1 0.726 0.030 . 1 . . . . 9 LEU HD1 . 11479 1 30 . 1 1 9 9 LEU HD21 H 1 0.658 0.030 . 1 . . . . 9 LEU HD2 . 11479 1 31 . 1 1 9 9 LEU HD22 H 1 0.658 0.030 . 1 . . . . 9 LEU HD2 . 11479 1 32 . 1 1 9 9 LEU HD23 H 1 0.658 0.030 . 1 . . . . 9 LEU HD2 . 11479 1 33 . 1 1 9 9 LEU HG H 1 1.424 0.030 . 1 . . . . 9 LEU HG . 11479 1 34 . 1 1 9 9 LEU C C 13 175.672 0.300 . 1 . . . . 9 LEU C . 11479 1 35 . 1 1 9 9 LEU CA C 13 54.871 0.300 . 1 . . . . 9 LEU CA . 11479 1 36 . 1 1 9 9 LEU CB C 13 43.072 0.300 . 1 . . . . 9 LEU CB . 11479 1 37 . 1 1 9 9 LEU CD1 C 13 24.271 0.300 . 2 . . . . 9 LEU CD1 . 11479 1 38 . 1 1 9 9 LEU CD2 C 13 23.749 0.300 . 2 . . . . 9 LEU CD2 . 11479 1 39 . 1 1 9 9 LEU CG C 13 26.952 0.300 . 1 . . . . 9 LEU CG . 11479 1 40 . 1 1 9 9 LEU N N 15 125.334 0.300 . 1 . . . . 9 LEU N . 11479 1 41 . 1 1 10 10 LEU H H 1 8.484 0.030 . 1 . . . . 10 LEU H . 11479 1 42 . 1 1 10 10 LEU HA H 1 4.413 0.030 . 1 . . . . 10 LEU HA . 11479 1 43 . 1 1 10 10 LEU HB2 H 1 2.026 0.030 . 2 . . . . 10 LEU HB2 . 11479 1 44 . 1 1 10 10 LEU HB3 H 1 1.372 0.030 . 2 . . . . 10 LEU HB3 . 11479 1 45 . 1 1 10 10 LEU HD11 H 1 0.779 0.030 . 1 . . . . 10 LEU HD1 . 11479 1 46 . 1 1 10 10 LEU HD12 H 1 0.779 0.030 . 1 . . . . 10 LEU HD1 . 11479 1 47 . 1 1 10 10 LEU HD13 H 1 0.779 0.030 . 1 . . . . 10 LEU HD1 . 11479 1 48 . 1 1 10 10 LEU HD21 H 1 0.798 0.030 . 1 . . . . 10 LEU HD2 . 11479 1 49 . 1 1 10 10 LEU HD22 H 1 0.798 0.030 . 1 . . . . 10 LEU HD2 . 11479 1 50 . 1 1 10 10 LEU HD23 H 1 0.798 0.030 . 1 . . . . 10 LEU HD2 . 11479 1 51 . 1 1 10 10 LEU HG H 1 1.751 0.030 . 1 . . . . 10 LEU HG . 11479 1 52 . 1 1 10 10 LEU C C 13 175.655 0.300 . 1 . . . . 10 LEU C . 11479 1 53 . 1 1 10 10 LEU CA C 13 53.860 0.300 . 1 . . . . 10 LEU CA . 11479 1 54 . 1 1 10 10 LEU CB C 13 42.260 0.300 . 1 . . . . 10 LEU CB . 11479 1 55 . 1 1 10 10 LEU CD1 C 13 25.315 0.300 . 2 . . . . 10 LEU CD1 . 11479 1 56 . 1 1 10 10 LEU CD2 C 13 22.619 0.300 . 2 . . . . 10 LEU CD2 . 11479 1 57 . 1 1 10 10 LEU CG C 13 26.962 0.300 . 1 . . . . 10 LEU CG . 11479 1 58 . 1 1 10 10 LEU N N 15 126.233 0.300 . 1 . . . . 10 LEU N . 11479 1 59 . 1 1 11 11 LYS H H 1 8.209 0.030 . 1 . . . . 11 LYS H . 11479 1 60 . 1 1 11 11 LYS HA H 1 4.621 0.030 . 1 . . . . 11 LYS HA . 11479 1 61 . 1 1 11 11 LYS HB2 H 1 1.791 0.030 . 2 . . . . 11 LYS HB2 . 11479 1 62 . 1 1 11 11 LYS HB3 H 1 1.548 0.030 . 2 . . . . 11 LYS HB3 . 11479 1 63 . 1 1 11 11 LYS HD2 H 1 1.648 0.030 . 2 . . . . 11 LYS HD2 . 11479 1 64 . 1 1 11 11 LYS HD3 H 1 1.610 0.030 . 2 . . . . 11 LYS HD3 . 11479 1 65 . 1 1 11 11 LYS HE2 H 1 2.960 0.030 . 1 . . . . 11 LYS HE2 . 11479 1 66 . 1 1 11 11 LYS HE3 H 1 2.960 0.030 . 1 . . . . 11 LYS HE3 . 11479 1 67 . 1 1 11 11 LYS HG2 H 1 1.359 0.030 . 1 . . . . 11 LYS HG2 . 11479 1 68 . 1 1 11 11 LYS HG3 H 1 1.359 0.030 . 1 . . . . 11 LYS HG3 . 11479 1 69 . 1 1 11 11 LYS CA C 13 54.395 0.300 . 1 . . . . 11 LYS CA . 11479 1 70 . 1 1 11 11 LYS CB C 13 34.298 0.300 . 1 . . . . 11 LYS CB . 11479 1 71 . 1 1 11 11 LYS CD C 13 28.822 0.300 . 1 . . . . 11 LYS CD . 11479 1 72 . 1 1 11 11 LYS CE C 13 42.073 0.300 . 1 . . . . 11 LYS CE . 11479 1 73 . 1 1 11 11 LYS CG C 13 24.478 0.300 . 1 . . . . 11 LYS CG . 11479 1 74 . 1 1 11 11 LYS N N 15 121.058 0.300 . 1 . . . . 11 LYS N . 11479 1 75 . 1 1 12 12 CYS H H 1 8.247 0.030 . 1 . . . . 12 CYS H . 11479 1 76 . 1 1 12 12 CYS HA H 1 4.550 0.030 . 1 . . . . 12 CYS HA . 11479 1 77 . 1 1 12 12 CYS HB2 H 1 3.099 0.030 . 2 . . . . 12 CYS HB2 . 11479 1 78 . 1 1 12 12 CYS HB3 H 1 2.958 0.030 . 2 . . . . 12 CYS HB3 . 11479 1 79 . 1 1 12 12 CYS CA C 13 58.003 0.300 . 1 . . . . 12 CYS CA . 11479 1 80 . 1 1 12 12 CYS CB C 13 30.896 0.300 . 1 . . . . 12 CYS CB . 11479 1 81 . 1 1 12 12 CYS N N 15 126.604 0.300 . 1 . . . . 12 CYS N . 11479 1 82 . 1 1 13 13 PRO HA H 1 4.639 0.030 . 1 . . . . 13 PRO HA . 11479 1 83 . 1 1 13 13 PRO HB2 H 1 2.211 0.030 . 2 . . . . 13 PRO HB2 . 11479 1 84 . 1 1 13 13 PRO HB3 H 1 2.171 0.030 . 2 . . . . 13 PRO HB3 . 11479 1 85 . 1 1 13 13 PRO HD2 H 1 4.492 0.030 . 2 . . . . 13 PRO HD2 . 11479 1 86 . 1 1 13 13 PRO HD3 H 1 3.886 0.030 . 2 . . . . 13 PRO HD3 . 11479 1 87 . 1 1 13 13 PRO HG2 H 1 2.120 0.030 . 2 . . . . 13 PRO HG2 . 11479 1 88 . 1 1 13 13 PRO HG3 H 1 1.938 0.030 . 2 . . . . 13 PRO HG3 . 11479 1 89 . 1 1 13 13 PRO C C 13 176.956 0.300 . 1 . . . . 13 PRO C . 11479 1 90 . 1 1 13 13 PRO CA C 13 63.384 0.300 . 1 . . . . 13 PRO CA . 11479 1 91 . 1 1 13 13 PRO CB C 13 31.864 0.300 . 1 . . . . 13 PRO CB . 11479 1 92 . 1 1 13 13 PRO CD C 13 51.585 0.300 . 1 . . . . 13 PRO CD . 11479 1 93 . 1 1 13 13 PRO CG C 13 26.470 0.300 . 1 . . . . 13 PRO CG . 11479 1 94 . 1 1 14 14 THR H H 1 8.584 0.030 . 1 . . . . 14 THR H . 11479 1 95 . 1 1 14 14 THR HA H 1 3.900 0.030 . 1 . . . . 14 THR HA . 11479 1 96 . 1 1 14 14 THR HB H 1 3.683 0.030 . 1 . . . . 14 THR HB . 11479 1 97 . 1 1 14 14 THR HG21 H 1 0.712 0.030 . 1 . . . . 14 THR HG2 . 11479 1 98 . 1 1 14 14 THR HG22 H 1 0.712 0.030 . 1 . . . . 14 THR HG2 . 11479 1 99 . 1 1 14 14 THR HG23 H 1 0.712 0.030 . 1 . . . . 14 THR HG2 . 11479 1 100 . 1 1 14 14 THR C C 13 174.075 0.300 . 1 . . . . 14 THR C . 11479 1 101 . 1 1 14 14 THR CA C 13 64.325 0.300 . 1 . . . . 14 THR CA . 11479 1 102 . 1 1 14 14 THR CB C 13 68.772 0.300 . 1 . . . . 14 THR CB . 11479 1 103 . 1 1 14 14 THR CG2 C 13 20.551 0.300 . 1 . . . . 14 THR CG2 . 11479 1 104 . 1 1 14 14 THR N N 15 122.487 0.300 . 1 . . . . 14 THR N . 11479 1 105 . 1 1 15 15 ASP H H 1 8.668 0.030 . 1 . . . . 15 ASP H . 11479 1 106 . 1 1 15 15 ASP HA H 1 4.326 0.030 . 1 . . . . 15 ASP HA . 11479 1 107 . 1 1 15 15 ASP HB2 H 1 2.574 0.030 . 1 . . . . 15 ASP HB2 . 11479 1 108 . 1 1 15 15 ASP HB3 H 1 2.574 0.030 . 1 . . . . 15 ASP HB3 . 11479 1 109 . 1 1 15 15 ASP C C 13 177.201 0.300 . 1 . . . . 15 ASP C . 11479 1 110 . 1 1 15 15 ASP CA C 13 56.158 0.300 . 1 . . . . 15 ASP CA . 11479 1 111 . 1 1 15 15 ASP CB C 13 40.760 0.300 . 1 . . . . 15 ASP CB . 11479 1 112 . 1 1 15 15 ASP N N 15 128.717 0.300 . 1 . . . . 15 ASP N . 11479 1 113 . 1 1 16 16 GLY H H 1 8.788 0.030 . 1 . . . . 16 GLY H . 11479 1 114 . 1 1 16 16 GLY HA2 H 1 4.145 0.030 . 2 . . . . 16 GLY HA2 . 11479 1 115 . 1 1 16 16 GLY HA3 H 1 3.654 0.030 . 2 . . . . 16 GLY HA3 . 11479 1 116 . 1 1 16 16 GLY C C 13 173.078 0.300 . 1 . . . . 16 GLY C . 11479 1 117 . 1 1 16 16 GLY CA C 13 45.394 0.300 . 1 . . . . 16 GLY CA . 11479 1 118 . 1 1 16 16 GLY N N 15 113.244 0.300 . 1 . . . . 16 GLY N . 11479 1 119 . 1 1 17 17 CYS H H 1 7.819 0.030 . 1 . . . . 17 CYS H . 11479 1 120 . 1 1 17 17 CYS HA H 1 4.570 0.030 . 1 . . . . 17 CYS HA . 11479 1 121 . 1 1 17 17 CYS HB2 H 1 3.148 0.030 . 2 . . . . 17 CYS HB2 . 11479 1 122 . 1 1 17 17 CYS HB3 H 1 2.578 0.030 . 2 . . . . 17 CYS HB3 . 11479 1 123 . 1 1 17 17 CYS C C 13 175.177 0.300 . 1 . . . . 17 CYS C . 11479 1 124 . 1 1 17 17 CYS CA C 13 59.445 0.300 . 1 . . . . 17 CYS CA . 11479 1 125 . 1 1 17 17 CYS CB C 13 30.419 0.300 . 1 . . . . 17 CYS CB . 11479 1 126 . 1 1 17 17 CYS N N 15 123.122 0.300 . 1 . . . . 17 CYS N . 11479 1 127 . 1 1 18 18 ASP H H 1 8.637 0.030 . 1 . . . . 18 ASP H . 11479 1 128 . 1 1 18 18 ASP HA H 1 4.819 0.030 . 1 . . . . 18 ASP HA . 11479 1 129 . 1 1 18 18 ASP HB2 H 1 2.746 0.030 . 1 . . . . 18 ASP HB2 . 11479 1 130 . 1 1 18 18 ASP HB3 H 1 2.746 0.030 . 1 . . . . 18 ASP HB3 . 11479 1 131 . 1 1 18 18 ASP C C 13 175.876 0.300 . 1 . . . . 18 ASP C . 11479 1 132 . 1 1 18 18 ASP CA C 13 53.699 0.300 . 1 . . . . 18 ASP CA . 11479 1 133 . 1 1 18 18 ASP CB C 13 41.240 0.300 . 1 . . . . 18 ASP CB . 11479 1 134 . 1 1 18 18 ASP N N 15 128.117 0.300 . 1 . . . . 18 ASP N . 11479 1 135 . 1 1 19 19 TYR H H 1 8.772 0.030 . 1 . . . . 19 TYR H . 11479 1 136 . 1 1 19 19 TYR HA H 1 4.081 0.030 . 1 . . . . 19 TYR HA . 11479 1 137 . 1 1 19 19 TYR HB2 H 1 2.694 0.030 . 2 . . . . 19 TYR HB2 . 11479 1 138 . 1 1 19 19 TYR HB3 H 1 2.354 0.030 . 2 . . . . 19 TYR HB3 . 11479 1 139 . 1 1 19 19 TYR HD1 H 1 6.493 0.030 . 1 . . . . 19 TYR HD1 . 11479 1 140 . 1 1 19 19 TYR HD2 H 1 6.493 0.030 . 1 . . . . 19 TYR HD2 . 11479 1 141 . 1 1 19 19 TYR HE1 H 1 6.488 0.030 . 1 . . . . 19 TYR HE1 . 11479 1 142 . 1 1 19 19 TYR HE2 H 1 6.488 0.030 . 1 . . . . 19 TYR HE2 . 11479 1 143 . 1 1 19 19 TYR C C 13 174.375 0.300 . 1 . . . . 19 TYR C . 11479 1 144 . 1 1 19 19 TYR CA C 13 61.122 0.300 . 1 . . . . 19 TYR CA . 11479 1 145 . 1 1 19 19 TYR CB C 13 39.914 0.300 . 1 . . . . 19 TYR CB . 11479 1 146 . 1 1 19 19 TYR CD1 C 13 132.296 0.300 . 1 . . . . 19 TYR CD1 . 11479 1 147 . 1 1 19 19 TYR CD2 C 13 132.296 0.300 . 1 . . . . 19 TYR CD2 . 11479 1 148 . 1 1 19 19 TYR CE1 C 13 117.421 0.300 . 1 . . . . 19 TYR CE1 . 11479 1 149 . 1 1 19 19 TYR CE2 C 13 117.421 0.300 . 1 . . . . 19 TYR CE2 . 11479 1 150 . 1 1 19 19 TYR N N 15 125.600 0.300 . 1 . . . . 19 TYR N . 11479 1 151 . 1 1 20 20 SER H H 1 7.024 0.030 . 1 . . . . 20 SER H . 11479 1 152 . 1 1 20 20 SER HA H 1 5.046 0.030 . 1 . . . . 20 SER HA . 11479 1 153 . 1 1 20 20 SER HB2 H 1 3.592 0.030 . 2 . . . . 20 SER HB2 . 11479 1 154 . 1 1 20 20 SER HB3 H 1 3.406 0.030 . 2 . . . . 20 SER HB3 . 11479 1 155 . 1 1 20 20 SER C C 13 171.598 0.300 . 1 . . . . 20 SER C . 11479 1 156 . 1 1 20 20 SER CA C 13 56.265 0.300 . 1 . . . . 20 SER CA . 11479 1 157 . 1 1 20 20 SER CB C 13 66.504 0.300 . 1 . . . . 20 SER CB . 11479 1 158 . 1 1 20 20 SER N N 15 120.719 0.300 . 1 . . . . 20 SER N . 11479 1 159 . 1 1 21 21 THR H H 1 8.443 0.030 . 1 . . . . 21 THR H . 11479 1 160 . 1 1 21 21 THR HA H 1 4.825 0.030 . 1 . . . . 21 THR HA . 11479 1 161 . 1 1 21 21 THR HB H 1 4.228 0.030 . 1 . . . . 21 THR HB . 11479 1 162 . 1 1 21 21 THR HG21 H 1 1.089 0.030 . 1 . . . . 21 THR HG2 . 11479 1 163 . 1 1 21 21 THR HG22 H 1 1.089 0.030 . 1 . . . . 21 THR HG2 . 11479 1 164 . 1 1 21 21 THR HG23 H 1 1.089 0.030 . 1 . . . . 21 THR HG2 . 11479 1 165 . 1 1 21 21 THR C C 13 171.639 0.300 . 1 . . . . 21 THR C . 11479 1 166 . 1 1 21 21 THR CA C 13 69.185 0.300 . 1 . . . . 21 THR CA . 11479 1 167 . 1 1 21 21 THR CB C 13 69.178 0.300 . 1 . . . . 21 THR CB . 11479 1 168 . 1 1 21 21 THR CG2 C 13 20.457 0.300 . 1 . . . . 21 THR CG2 . 11479 1 169 . 1 1 21 21 THR N N 15 115.314 0.300 . 1 . . . . 21 THR N . 11479 1 170 . 1 1 22 22 PRO HA H 1 5.016 0.030 . 1 . . . . 22 PRO HA . 11479 1 171 . 1 1 22 22 PRO HB2 H 1 2.221 0.030 . 2 . . . . 22 PRO HB2 . 11479 1 172 . 1 1 22 22 PRO HB3 H 1 2.014 0.030 . 2 . . . . 22 PRO HB3 . 11479 1 173 . 1 1 22 22 PRO HD2 H 1 3.873 0.030 . 2 . . . . 22 PRO HD2 . 11479 1 174 . 1 1 22 22 PRO HD3 H 1 3.623 0.030 . 2 . . . . 22 PRO HD3 . 11479 1 175 . 1 1 22 22 PRO HG2 H 1 1.936 0.030 . 1 . . . . 22 PRO HG2 . 11479 1 176 . 1 1 22 22 PRO HG3 H 1 1.936 0.030 . 1 . . . . 22 PRO HG3 . 11479 1 177 . 1 1 22 22 PRO C C 13 176.146 0.300 . 1 . . . . 22 PRO C . 11479 1 178 . 1 1 22 22 PRO CA C 13 63.164 0.300 . 1 . . . . 22 PRO CA . 11479 1 179 . 1 1 22 22 PRO CB C 13 32.303 0.300 . 1 . . . . 22 PRO CB . 11479 1 180 . 1 1 22 22 PRO CD C 13 51.486 0.300 . 1 . . . . 22 PRO CD . 11479 1 181 . 1 1 22 22 PRO CG C 13 26.862 0.300 . 1 . . . . 22 PRO CG . 11479 1 182 . 1 1 23 23 ASP H H 1 8.130 0.030 . 1 . . . . 23 ASP H . 11479 1 183 . 1 1 23 23 ASP HA H 1 4.815 0.030 . 1 . . . . 23 ASP HA . 11479 1 184 . 1 1 23 23 ASP HB2 H 1 2.829 0.030 . 2 . . . . 23 ASP HB2 . 11479 1 185 . 1 1 23 23 ASP HB3 H 1 2.470 0.030 . 2 . . . . 23 ASP HB3 . 11479 1 186 . 1 1 23 23 ASP C C 13 175.789 0.300 . 1 . . . . 23 ASP C . 11479 1 187 . 1 1 23 23 ASP CA C 13 53.219 0.300 . 1 . . . . 23 ASP CA . 11479 1 188 . 1 1 23 23 ASP CB C 13 43.529 0.300 . 1 . . . . 23 ASP CB . 11479 1 189 . 1 1 23 23 ASP N N 15 120.516 0.300 . 1 . . . . 23 ASP N . 11479 1 190 . 1 1 24 24 LYS H H 1 8.992 0.030 . 1 . . . . 24 LYS H . 11479 1 191 . 1 1 24 24 LYS HA H 1 3.832 0.030 . 1 . . . . 24 LYS HA . 11479 1 192 . 1 1 24 24 LYS HB2 H 1 1.803 0.030 . 2 . . . . 24 LYS HB2 . 11479 1 193 . 1 1 24 24 LYS HB3 H 1 1.684 0.030 . 2 . . . . 24 LYS HB3 . 11479 1 194 . 1 1 24 24 LYS HD2 H 1 1.542 0.030 . 1 . . . . 24 LYS HD2 . 11479 1 195 . 1 1 24 24 LYS HD3 H 1 1.542 0.030 . 1 . . . . 24 LYS HD3 . 11479 1 196 . 1 1 24 24 LYS HE2 H 1 2.812 0.030 . 1 . . . . 24 LYS HE2 . 11479 1 197 . 1 1 24 24 LYS HE3 H 1 2.812 0.030 . 1 . . . . 24 LYS HE3 . 11479 1 198 . 1 1 24 24 LYS HG2 H 1 1.205 0.030 . 2 . . . . 24 LYS HG2 . 11479 1 199 . 1 1 24 24 LYS HG3 H 1 0.887 0.030 . 2 . . . . 24 LYS HG3 . 11479 1 200 . 1 1 24 24 LYS C C 13 178.079 0.300 . 1 . . . . 24 LYS C . 11479 1 201 . 1 1 24 24 LYS CA C 13 59.555 0.300 . 1 . . . . 24 LYS CA . 11479 1 202 . 1 1 24 24 LYS CB C 13 31.714 0.300 . 1 . . . . 24 LYS CB . 11479 1 203 . 1 1 24 24 LYS CD C 13 29.446 0.300 . 1 . . . . 24 LYS CD . 11479 1 204 . 1 1 24 24 LYS CE C 13 42.041 0.300 . 1 . . . . 24 LYS CE . 11479 1 205 . 1 1 24 24 LYS CG C 13 23.916 0.300 . 1 . . . . 24 LYS CG . 11479 1 206 . 1 1 24 24 LYS N N 15 126.987 0.300 . 1 . . . . 24 LYS N . 11479 1 207 . 1 1 25 25 TYR H H 1 8.426 0.030 . 1 . . . . 25 TYR H . 11479 1 208 . 1 1 25 25 TYR HA H 1 4.341 0.030 . 1 . . . . 25 TYR HA . 11479 1 209 . 1 1 25 25 TYR HB2 H 1 3.191 0.030 . 2 . . . . 25 TYR HB2 . 11479 1 210 . 1 1 25 25 TYR HB3 H 1 3.135 0.030 . 2 . . . . 25 TYR HB3 . 11479 1 211 . 1 1 25 25 TYR HD1 H 1 7.286 0.030 . 1 . . . . 25 TYR HD1 . 11479 1 212 . 1 1 25 25 TYR HD2 H 1 7.286 0.030 . 1 . . . . 25 TYR HD2 . 11479 1 213 . 1 1 25 25 TYR HE1 H 1 6.884 0.030 . 1 . . . . 25 TYR HE1 . 11479 1 214 . 1 1 25 25 TYR HE2 H 1 6.884 0.030 . 1 . . . . 25 TYR HE2 . 11479 1 215 . 1 1 25 25 TYR C C 13 179.681 0.300 . 1 . . . . 25 TYR C . 11479 1 216 . 1 1 25 25 TYR CA C 13 61.111 0.300 . 1 . . . . 25 TYR CA . 11479 1 217 . 1 1 25 25 TYR CB C 13 36.679 0.300 . 1 . . . . 25 TYR CB . 11479 1 218 . 1 1 25 25 TYR CD1 C 13 133.200 0.300 . 1 . . . . 25 TYR CD1 . 11479 1 219 . 1 1 25 25 TYR CD2 C 13 133.200 0.300 . 1 . . . . 25 TYR CD2 . 11479 1 220 . 1 1 25 25 TYR CE1 C 13 118.275 0.300 . 1 . . . . 25 TYR CE1 . 11479 1 221 . 1 1 25 25 TYR CE2 C 13 118.275 0.300 . 1 . . . . 25 TYR CE2 . 11479 1 222 . 1 1 25 25 TYR N N 15 120.154 0.300 . 1 . . . . 25 TYR N . 11479 1 223 . 1 1 26 26 LYS H H 1 7.659 0.030 . 1 . . . . 26 LYS H . 11479 1 224 . 1 1 26 26 LYS HA H 1 4.162 0.030 . 1 . . . . 26 LYS HA . 11479 1 225 . 1 1 26 26 LYS HB2 H 1 2.339 0.030 . 2 . . . . 26 LYS HB2 . 11479 1 226 . 1 1 26 26 LYS HB3 H 1 2.078 0.030 . 2 . . . . 26 LYS HB3 . 11479 1 227 . 1 1 26 26 LYS HD2 H 1 1.801 0.030 . 2 . . . . 26 LYS HD2 . 11479 1 228 . 1 1 26 26 LYS HD3 H 1 1.711 0.030 . 2 . . . . 26 LYS HD3 . 11479 1 229 . 1 1 26 26 LYS HE2 H 1 3.070 0.030 . 2 . . . . 26 LYS HE2 . 11479 1 230 . 1 1 26 26 LYS HE3 H 1 3.043 0.030 . 2 . . . . 26 LYS HE3 . 11479 1 231 . 1 1 26 26 LYS HG2 H 1 1.530 0.030 . 2 . . . . 26 LYS HG2 . 11479 1 232 . 1 1 26 26 LYS HG3 H 1 1.413 0.030 . 2 . . . . 26 LYS HG3 . 11479 1 233 . 1 1 26 26 LYS C C 13 180.030 0.300 . 1 . . . . 26 LYS C . 11479 1 234 . 1 1 26 26 LYS CA C 13 59.259 0.300 . 1 . . . . 26 LYS CA . 11479 1 235 . 1 1 26 26 LYS CB C 13 31.502 0.300 . 1 . . . . 26 LYS CB . 11479 1 236 . 1 1 26 26 LYS CD C 13 29.234 0.300 . 1 . . . . 26 LYS CD . 11479 1 237 . 1 1 26 26 LYS CE C 13 42.285 0.300 . 1 . . . . 26 LYS CE . 11479 1 238 . 1 1 26 26 LYS CG C 13 26.317 0.300 . 1 . . . . 26 LYS CG . 11479 1 239 . 1 1 26 26 LYS N N 15 122.481 0.300 . 1 . . . . 26 LYS N . 11479 1 240 . 1 1 27 27 LEU H H 1 8.014 0.030 . 1 . . . . 27 LEU H . 11479 1 241 . 1 1 27 27 LEU HA H 1 4.284 0.030 . 1 . . . . 27 LEU HA . 11479 1 242 . 1 1 27 27 LEU HB2 H 1 2.061 0.030 . 2 . . . . 27 LEU HB2 . 11479 1 243 . 1 1 27 27 LEU HB3 H 1 1.393 0.030 . 2 . . . . 27 LEU HB3 . 11479 1 244 . 1 1 27 27 LEU HD11 H 1 0.950 0.030 . 1 . . . . 27 LEU HD1 . 11479 1 245 . 1 1 27 27 LEU HD12 H 1 0.950 0.030 . 1 . . . . 27 LEU HD1 . 11479 1 246 . 1 1 27 27 LEU HD13 H 1 0.950 0.030 . 1 . . . . 27 LEU HD1 . 11479 1 247 . 1 1 27 27 LEU HD21 H 1 1.002 0.030 . 1 . . . . 27 LEU HD2 . 11479 1 248 . 1 1 27 27 LEU HD22 H 1 1.002 0.030 . 1 . . . . 27 LEU HD2 . 11479 1 249 . 1 1 27 27 LEU HD23 H 1 1.002 0.030 . 1 . . . . 27 LEU HD2 . 11479 1 250 . 1 1 27 27 LEU HG H 1 1.751 0.030 . 1 . . . . 27 LEU HG . 11479 1 251 . 1 1 27 27 LEU C C 13 177.862 0.300 . 1 . . . . 27 LEU C . 11479 1 252 . 1 1 27 27 LEU CA C 13 58.207 0.300 . 1 . . . . 27 LEU CA . 11479 1 253 . 1 1 27 27 LEU CB C 13 40.529 0.300 . 1 . . . . 27 LEU CB . 11479 1 254 . 1 1 27 27 LEU CD1 C 13 26.018 0.300 . 2 . . . . 27 LEU CD1 . 11479 1 255 . 1 1 27 27 LEU CD2 C 13 22.810 0.300 . 2 . . . . 27 LEU CD2 . 11479 1 256 . 1 1 27 27 LEU CG C 13 27.160 0.300 . 1 . . . . 27 LEU CG . 11479 1 257 . 1 1 27 27 LEU N N 15 122.021 0.300 . 1 . . . . 27 LEU N . 11479 1 258 . 1 1 28 28 GLN H H 1 7.938 0.030 . 1 . . . . 28 GLN H . 11479 1 259 . 1 1 28 28 GLN HA H 1 3.932 0.030 . 1 . . . . 28 GLN HA . 11479 1 260 . 1 1 28 28 GLN HB2 H 1 2.205 0.030 . 2 . . . . 28 GLN HB2 . 11479 1 261 . 1 1 28 28 GLN HB3 H 1 2.176 0.030 . 2 . . . . 28 GLN HB3 . 11479 1 262 . 1 1 28 28 GLN HE21 H 1 7.487 0.030 . 2 . . . . 28 GLN HE21 . 11479 1 263 . 1 1 28 28 GLN HE22 H 1 6.880 0.030 . 2 . . . . 28 GLN HE22 . 11479 1 264 . 1 1 28 28 GLN HG2 H 1 2.550 0.030 . 2 . . . . 28 GLN HG2 . 11479 1 265 . 1 1 28 28 GLN HG3 H 1 2.436 0.030 . 2 . . . . 28 GLN HG3 . 11479 1 266 . 1 1 28 28 GLN C C 13 178.543 0.300 . 1 . . . . 28 GLN C . 11479 1 267 . 1 1 28 28 GLN CA C 13 59.242 0.300 . 1 . . . . 28 GLN CA . 11479 1 268 . 1 1 28 28 GLN CB C 13 28.397 0.300 . 1 . . . . 28 GLN CB . 11479 1 269 . 1 1 28 28 GLN CG C 13 33.903 0.300 . 1 . . . . 28 GLN CG . 11479 1 270 . 1 1 28 28 GLN N N 15 116.835 0.300 . 1 . . . . 28 GLN N . 11479 1 271 . 1 1 28 28 GLN NE2 N 15 111.411 0.300 . 1 . . . . 28 GLN NE2 . 11479 1 272 . 1 1 29 29 ALA H H 1 7.580 0.030 . 1 . . . . 29 ALA H . 11479 1 273 . 1 1 29 29 ALA HA H 1 4.128 0.030 . 1 . . . . 29 ALA HA . 11479 1 274 . 1 1 29 29 ALA HB1 H 1 1.485 0.030 . 1 . . . . 29 ALA HB . 11479 1 275 . 1 1 29 29 ALA HB2 H 1 1.485 0.030 . 1 . . . . 29 ALA HB . 11479 1 276 . 1 1 29 29 ALA HB3 H 1 1.485 0.030 . 1 . . . . 29 ALA HB . 11479 1 277 . 1 1 29 29 ALA C C 13 180.172 0.300 . 1 . . . . 29 ALA C . 11479 1 278 . 1 1 29 29 ALA CA C 13 54.902 0.300 . 1 . . . . 29 ALA CA . 11479 1 279 . 1 1 29 29 ALA CB C 13 18.158 0.300 . 1 . . . . 29 ALA CB . 11479 1 280 . 1 1 29 29 ALA N N 15 120.272 0.300 . 1 . . . . 29 ALA N . 11479 1 281 . 1 1 30 30 HIS H H 1 8.147 0.030 . 1 . . . . 30 HIS H . 11479 1 282 . 1 1 30 30 HIS HA H 1 3.973 0.030 . 1 . . . . 30 HIS HA . 11479 1 283 . 1 1 30 30 HIS HB2 H 1 3.335 0.030 . 2 . . . . 30 HIS HB2 . 11479 1 284 . 1 1 30 30 HIS HB3 H 1 2.585 0.030 . 2 . . . . 30 HIS HB3 . 11479 1 285 . 1 1 30 30 HIS HD2 H 1 6.918 0.030 . 1 . . . . 30 HIS HD2 . 11479 1 286 . 1 1 30 30 HIS HE1 H 1 7.510 0.030 . 1 . . . . 30 HIS HE1 . 11479 1 287 . 1 1 30 30 HIS C C 13 176.065 0.300 . 1 . . . . 30 HIS C . 11479 1 288 . 1 1 30 30 HIS CA C 13 59.249 0.300 . 1 . . . . 30 HIS CA . 11479 1 289 . 1 1 30 30 HIS CB C 13 27.802 0.300 . 1 . . . . 30 HIS CB . 11479 1 290 . 1 1 30 30 HIS CD2 C 13 126.529 0.300 . 1 . . . . 30 HIS CD2 . 11479 1 291 . 1 1 30 30 HIS CE1 C 13 138.853 0.300 . 1 . . . . 30 HIS CE1 . 11479 1 292 . 1 1 30 30 HIS N N 15 119.611 0.300 . 1 . . . . 30 HIS N . 11479 1 293 . 1 1 31 31 LEU H H 1 8.037 0.030 . 1 . . . . 31 LEU H . 11479 1 294 . 1 1 31 31 LEU HA H 1 3.771 0.030 . 1 . . . . 31 LEU HA . 11479 1 295 . 1 1 31 31 LEU HB2 H 1 1.872 0.030 . 2 . . . . 31 LEU HB2 . 11479 1 296 . 1 1 31 31 LEU HB3 H 1 1.591 0.030 . 2 . . . . 31 LEU HB3 . 11479 1 297 . 1 1 31 31 LEU HD11 H 1 0.983 0.030 . 1 . . . . 31 LEU HD1 . 11479 1 298 . 1 1 31 31 LEU HD12 H 1 0.983 0.030 . 1 . . . . 31 LEU HD1 . 11479 1 299 . 1 1 31 31 LEU HD13 H 1 0.983 0.030 . 1 . . . . 31 LEU HD1 . 11479 1 300 . 1 1 31 31 LEU HD21 H 1 1.074 0.030 . 1 . . . . 31 LEU HD2 . 11479 1 301 . 1 1 31 31 LEU HD22 H 1 1.074 0.030 . 1 . . . . 31 LEU HD2 . 11479 1 302 . 1 1 31 31 LEU HD23 H 1 1.074 0.030 . 1 . . . . 31 LEU HD2 . 11479 1 303 . 1 1 31 31 LEU HG H 1 2.116 0.030 . 1 . . . . 31 LEU HG . 11479 1 304 . 1 1 31 31 LEU C C 13 179.067 0.300 . 1 . . . . 31 LEU C . 11479 1 305 . 1 1 31 31 LEU CA C 13 58.108 0.300 . 1 . . . . 31 LEU CA . 11479 1 306 . 1 1 31 31 LEU CB C 13 41.654 0.300 . 1 . . . . 31 LEU CB . 11479 1 307 . 1 1 31 31 LEU CD1 C 13 25.311 0.300 . 2 . . . . 31 LEU CD1 . 11479 1 308 . 1 1 31 31 LEU CD2 C 13 23.779 0.300 . 2 . . . . 31 LEU CD2 . 11479 1 309 . 1 1 31 31 LEU CG C 13 26.850 0.300 . 1 . . . . 31 LEU CG . 11479 1 310 . 1 1 31 31 LEU N N 15 116.087 0.300 . 1 . . . . 31 LEU N . 11479 1 311 . 1 1 32 32 LYS H H 1 7.097 0.030 . 1 . . . . 32 LYS H . 11479 1 312 . 1 1 32 32 LYS HA H 1 4.064 0.030 . 1 . . . . 32 LYS HA . 11479 1 313 . 1 1 32 32 LYS HB2 H 1 1.863 0.030 . 2 . . . . 32 LYS HB2 . 11479 1 314 . 1 1 32 32 LYS HB3 H 1 1.816 0.030 . 2 . . . . 32 LYS HB3 . 11479 1 315 . 1 1 32 32 LYS HD2 H 1 1.690 0.030 . 1 . . . . 32 LYS HD2 . 11479 1 316 . 1 1 32 32 LYS HD3 H 1 1.690 0.030 . 1 . . . . 32 LYS HD3 . 11479 1 317 . 1 1 32 32 LYS HE2 H 1 2.983 0.030 . 1 . . . . 32 LYS HE2 . 11479 1 318 . 1 1 32 32 LYS HE3 H 1 2.983 0.030 . 1 . . . . 32 LYS HE3 . 11479 1 319 . 1 1 32 32 LYS HG2 H 1 1.582 0.030 . 2 . . . . 32 LYS HG2 . 11479 1 320 . 1 1 32 32 LYS HG3 H 1 1.476 0.030 . 2 . . . . 32 LYS HG3 . 11479 1 321 . 1 1 32 32 LYS C C 13 178.727 0.300 . 1 . . . . 32 LYS C . 11479 1 322 . 1 1 32 32 LYS CA C 13 58.284 0.300 . 1 . . . . 32 LYS CA . 11479 1 323 . 1 1 32 32 LYS CB C 13 32.159 0.300 . 1 . . . . 32 LYS CB . 11479 1 324 . 1 1 32 32 LYS CD C 13 29.024 0.300 . 1 . . . . 32 LYS CD . 11479 1 325 . 1 1 32 32 LYS CE C 13 42.068 0.300 . 1 . . . . 32 LYS CE . 11479 1 326 . 1 1 32 32 LYS CG C 13 25.083 0.300 . 1 . . . . 32 LYS CG . 11479 1 327 . 1 1 32 32 LYS N N 15 116.128 0.300 . 1 . . . . 32 LYS N . 11479 1 328 . 1 1 33 33 VAL H H 1 7.881 0.030 . 1 . . . . 33 VAL H . 11479 1 329 . 1 1 33 33 VAL HA H 1 3.857 0.030 . 1 . . . . 33 VAL HA . 11479 1 330 . 1 1 33 33 VAL HB H 1 1.855 0.030 . 1 . . . . 33 VAL HB . 11479 1 331 . 1 1 33 33 VAL HG11 H 1 0.582 0.030 . 1 . . . . 33 VAL HG1 . 11479 1 332 . 1 1 33 33 VAL HG12 H 1 0.582 0.030 . 1 . . . . 33 VAL HG1 . 11479 1 333 . 1 1 33 33 VAL HG13 H 1 0.582 0.030 . 1 . . . . 33 VAL HG1 . 11479 1 334 . 1 1 33 33 VAL HG21 H 1 0.392 0.030 . 1 . . . . 33 VAL HG2 . 11479 1 335 . 1 1 33 33 VAL HG22 H 1 0.392 0.030 . 1 . . . . 33 VAL HG2 . 11479 1 336 . 1 1 33 33 VAL HG23 H 1 0.392 0.030 . 1 . . . . 33 VAL HG2 . 11479 1 337 . 1 1 33 33 VAL C C 13 177.316 0.300 . 1 . . . . 33 VAL C . 11479 1 338 . 1 1 33 33 VAL CA C 13 64.001 0.300 . 1 . . . . 33 VAL CA . 11479 1 339 . 1 1 33 33 VAL CB C 13 30.900 0.300 . 1 . . . . 33 VAL CB . 11479 1 340 . 1 1 33 33 VAL CG1 C 13 19.908 0.300 . 2 . . . . 33 VAL CG1 . 11479 1 341 . 1 1 33 33 VAL CG2 C 13 19.518 0.300 . 2 . . . . 33 VAL CG2 . 11479 1 342 . 1 1 33 33 VAL N N 15 116.449 0.300 . 1 . . . . 33 VAL N . 11479 1 343 . 1 1 34 34 HIS H H 1 7.114 0.030 . 1 . . . . 34 HIS H . 11479 1 344 . 1 1 34 34 HIS HA H 1 4.685 0.030 . 1 . . . . 34 HIS HA . 11479 1 345 . 1 1 34 34 HIS HB2 H 1 3.283 0.030 . 2 . . . . 34 HIS HB2 . 11479 1 346 . 1 1 34 34 HIS HB3 H 1 3.096 0.030 . 2 . . . . 34 HIS HB3 . 11479 1 347 . 1 1 34 34 HIS HD2 H 1 6.504 0.030 . 1 . . . . 34 HIS HD2 . 11479 1 348 . 1 1 34 34 HIS HE1 H 1 8.016 0.030 . 1 . . . . 34 HIS HE1 . 11479 1 349 . 1 1 34 34 HIS C C 13 175.313 0.300 . 1 . . . . 34 HIS C . 11479 1 350 . 1 1 34 34 HIS CA C 13 55.594 0.300 . 1 . . . . 34 HIS CA . 11479 1 351 . 1 1 34 34 HIS CB C 13 28.811 0.300 . 1 . . . . 34 HIS CB . 11479 1 352 . 1 1 34 34 HIS CD2 C 13 127.846 0.300 . 1 . . . . 34 HIS CD2 . 11479 1 353 . 1 1 34 34 HIS CE1 C 13 139.667 0.300 . 1 . . . . 34 HIS CE1 . 11479 1 354 . 1 1 34 34 HIS N N 15 117.064 0.300 . 1 . . . . 34 HIS N . 11479 1 355 . 1 1 35 35 THR H H 1 7.676 0.030 . 1 . . . . 35 THR H . 11479 1 356 . 1 1 35 35 THR HA H 1 4.322 0.030 . 1 . . . . 35 THR HA . 11479 1 357 . 1 1 35 35 THR HB H 1 4.235 0.030 . 1 . . . . 35 THR HB . 11479 1 358 . 1 1 35 35 THR HG21 H 1 1.212 0.030 . 1 . . . . 35 THR HG2 . 11479 1 359 . 1 1 35 35 THR HG22 H 1 1.212 0.030 . 1 . . . . 35 THR HG2 . 11479 1 360 . 1 1 35 35 THR HG23 H 1 1.212 0.030 . 1 . . . . 35 THR HG2 . 11479 1 361 . 1 1 35 35 THR C C 13 174.041 0.300 . 1 . . . . 35 THR C . 11479 1 362 . 1 1 35 35 THR CA C 13 62.128 0.300 . 1 . . . . 35 THR CA . 11479 1 363 . 1 1 35 35 THR CB C 13 69.908 0.300 . 1 . . . . 35 THR CB . 11479 1 364 . 1 1 35 35 THR CG2 C 13 21.575 0.300 . 1 . . . . 35 THR CG2 . 11479 1 365 . 1 1 35 35 THR N N 15 113.028 0.300 . 1 . . . . 35 THR N . 11479 1 366 . 1 1 36 36 ALA H H 1 8.176 0.030 . 1 . . . . 36 ALA H . 11479 1 367 . 1 1 36 36 ALA HA H 1 4.351 0.030 . 1 . . . . 36 ALA HA . 11479 1 368 . 1 1 36 36 ALA HB1 H 1 1.411 0.030 . 1 . . . . 36 ALA HB . 11479 1 369 . 1 1 36 36 ALA HB2 H 1 1.411 0.030 . 1 . . . . 36 ALA HB . 11479 1 370 . 1 1 36 36 ALA HB3 H 1 1.411 0.030 . 1 . . . . 36 ALA HB . 11479 1 371 . 1 1 36 36 ALA C C 13 177.366 0.300 . 1 . . . . 36 ALA C . 11479 1 372 . 1 1 36 36 ALA CA C 13 52.604 0.300 . 1 . . . . 36 ALA CA . 11479 1 373 . 1 1 36 36 ALA CB C 13 19.214 0.300 . 1 . . . . 36 ALA CB . 11479 1 374 . 1 1 36 36 ALA N N 15 126.417 0.300 . 1 . . . . 36 ALA N . 11479 1 375 . 1 1 37 37 LEU H H 1 8.225 0.030 . 1 . . . . 37 LEU H . 11479 1 376 . 1 1 37 37 LEU HA H 1 4.376 0.030 . 1 . . . . 37 LEU HA . 11479 1 377 . 1 1 37 37 LEU HB2 H 1 1.628 0.030 . 1 . . . . 37 LEU HB2 . 11479 1 378 . 1 1 37 37 LEU HB3 H 1 1.628 0.030 . 1 . . . . 37 LEU HB3 . 11479 1 379 . 1 1 37 37 LEU HD11 H 1 0.919 0.030 . 1 . . . . 37 LEU HD1 . 11479 1 380 . 1 1 37 37 LEU HD12 H 1 0.919 0.030 . 1 . . . . 37 LEU HD1 . 11479 1 381 . 1 1 37 37 LEU HD13 H 1 0.919 0.030 . 1 . . . . 37 LEU HD1 . 11479 1 382 . 1 1 37 37 LEU HD21 H 1 0.857 0.030 . 1 . . . . 37 LEU HD2 . 11479 1 383 . 1 1 37 37 LEU HD22 H 1 0.857 0.030 . 1 . . . . 37 LEU HD2 . 11479 1 384 . 1 1 37 37 LEU HD23 H 1 0.857 0.030 . 1 . . . . 37 LEU HD2 . 11479 1 385 . 1 1 37 37 LEU HG H 1 1.643 0.030 . 1 . . . . 37 LEU HG . 11479 1 386 . 1 1 37 37 LEU C C 13 176.322 0.300 . 1 . . . . 37 LEU C . 11479 1 387 . 1 1 37 37 LEU CA C 13 54.937 0.300 . 1 . . . . 37 LEU CA . 11479 1 388 . 1 1 37 37 LEU CB C 13 42.503 0.300 . 1 . . . . 37 LEU CB . 11479 1 389 . 1 1 37 37 LEU CD1 C 13 25.150 0.300 . 2 . . . . 37 LEU CD1 . 11479 1 390 . 1 1 37 37 LEU CD2 C 13 23.233 0.300 . 2 . . . . 37 LEU CD2 . 11479 1 391 . 1 1 37 37 LEU CG C 13 26.927 0.300 . 1 . . . . 37 LEU CG . 11479 1 392 . 1 1 37 37 LEU N N 15 121.932 0.300 . 1 . . . . 37 LEU N . 11479 1 393 . 1 1 38 38 ASP H H 1 7.845 0.030 . 1 . . . . 38 ASP H . 11479 1 394 . 1 1 38 38 ASP HA H 1 4.339 0.030 . 1 . . . . 38 ASP HA . 11479 1 395 . 1 1 38 38 ASP HB2 H 1 2.638 0.030 . 2 . . . . 38 ASP HB2 . 11479 1 396 . 1 1 38 38 ASP HB3 H 1 2.557 0.030 . 2 . . . . 38 ASP HB3 . 11479 1 397 . 1 1 38 38 ASP CA C 13 55.836 0.300 . 1 . . . . 38 ASP CA . 11479 1 398 . 1 1 38 38 ASP CB C 13 42.268 0.300 . 1 . . . . 38 ASP CB . 11479 1 399 . 1 1 38 38 ASP N N 15 126.170 0.300 . 1 . . . . 38 ASP N . 11479 1 stop_ save_