################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30310 _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 $chem_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_15N-separated_NOESY . . . 30310 1 2 3D_13C-separated_NOESY . . . 30310 1 3 '3D HNCO' . . . 30310 1 4 '3D HNCACB' . . . 30310 1 5 '3D CBCA(CO)NH' . . . 30310 1 6 '3D HCCH-TOCSY' . . . 30310 1 7 '2D 1H-13C HSQC aliphatic' . . . 30310 1 8 '2D 1H-15N HSQC' . . . 30310 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.Ambiguity_set_ID _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 1 1 MET HA H 1 3.833 0.026 . 1 . . . . A 1 MET HA . 30310 1 2 . 1 1 1 1 MET HB2 H 1 1.738 0.000 . 2 . . . . A 1 MET HB2 . 30310 1 3 . 1 1 1 1 MET HB3 H 1 1.738 0.000 . 2 . . . . A 1 MET HB3 . 30310 1 4 . 1 1 1 1 MET HE1 H 1 1.828 0.004 . 1 . . . . A 1 MET HE1 . 30310 1 5 . 1 1 1 1 MET HE2 H 1 1.828 0.004 . 1 . . . . A 1 MET HE2 . 30310 1 6 . 1 1 1 1 MET HE3 H 1 1.828 0.004 . 1 . . . . A 1 MET HE3 . 30310 1 7 . 1 1 1 1 MET C C 13 173.676 0.000 . 1 . . . . A 1 MET C . 30310 1 8 . 1 1 1 1 MET CA C 13 55.252 0.060 . 1 . . . . A 1 MET CA . 30310 1 9 . 1 1 1 1 MET CB C 13 33.415 0.014 . 1 . . . . A 1 MET CB . 30310 1 10 . 1 1 1 1 MET CE C 13 17.276 0.049 . 1 . . . . A 1 MET CE . 30310 1 11 . 1 1 2 2 LYS H H 1 8.392 0.006 . 1 . . . . A 2 LYS H . 30310 1 12 . 1 1 2 2 LYS HA H 1 4.562 0.010 . 1 . . . . A 2 LYS HA . 30310 1 13 . 1 1 2 2 LYS HB2 H 1 1.730 0.012 . 2 . . . . A 2 LYS HB2 . 30310 1 14 . 1 1 2 2 LYS HB3 H 1 1.643 0.009 . 2 . . . . A 2 LYS HB3 . 30310 1 15 . 1 1 2 2 LYS HG2 H 1 1.367 0.018 . 2 . . . . A 2 LYS HG2 . 30310 1 16 . 1 1 2 2 LYS HG3 H 1 1.367 0.018 . 2 . . . . A 2 LYS HG3 . 30310 1 17 . 1 1 2 2 LYS HD2 H 1 1.655 0.000 . 2 . . . . A 2 LYS HD2 . 30310 1 18 . 1 1 2 2 LYS HD3 H 1 1.655 0.000 . 2 . . . . A 2 LYS HD3 . 30310 1 19 . 1 1 2 2 LYS HE2 H 1 2.930 0.002 . 2 . . . . A 2 LYS HE2 . 30310 1 20 . 1 1 2 2 LYS HE3 H 1 2.930 0.002 . 2 . . . . A 2 LYS HE3 . 30310 1 21 . 1 1 2 2 LYS C C 13 173.779 0.000 . 1 . . . . A 2 LYS C . 30310 1 22 . 1 1 2 2 LYS CA C 13 55.014 0.062 . 1 . . . . A 2 LYS CA . 30310 1 23 . 1 1 2 2 LYS CB C 13 35.701 0.073 . 1 . . . . A 2 LYS CB . 30310 1 24 . 1 1 2 2 LYS CG C 13 24.765 0.048 . 1 . . . . A 2 LYS CG . 30310 1 25 . 1 1 2 2 LYS CE C 13 41.928 0.000 . 1 . . . . A 2 LYS CE . 30310 1 26 . 1 1 2 2 LYS N N 15 125.405 0.030 . 1 . . . . A 2 LYS N . 30310 1 27 . 1 1 3 3 LYS H H 1 8.492 0.003 . 1 . . . . A 3 LYS H . 30310 1 28 . 1 1 3 3 LYS HA H 1 5.120 0.012 . 1 . . . . A 3 LYS HA . 30310 1 29 . 1 1 3 3 LYS HB2 H 1 1.590 0.002 . 2 . . . . A 3 LYS HB2 . 30310 1 30 . 1 1 3 3 LYS HB3 H 1 1.542 0.003 . 2 . . . . A 3 LYS HB3 . 30310 1 31 . 1 1 3 3 LYS HG2 H 1 1.340 0.011 . 2 . . . . A 3 LYS HG2 . 30310 1 32 . 1 1 3 3 LYS HG3 H 1 1.143 0.010 . 2 . . . . A 3 LYS HG3 . 30310 1 33 . 1 1 3 3 LYS HD2 H 1 1.627 0.007 . 2 . . . . A 3 LYS HD2 . 30310 1 34 . 1 1 3 3 LYS HD3 H 1 1.627 0.007 . 2 . . . . A 3 LYS HD3 . 30310 1 35 . 1 1 3 3 LYS HE2 H 1 2.892 0.007 . 2 . . . . A 3 LYS HE2 . 30310 1 36 . 1 1 3 3 LYS HE3 H 1 2.892 0.007 . 2 . . . . A 3 LYS HE3 . 30310 1 37 . 1 1 3 3 LYS C C 13 176.170 0.000 . 1 . . . . A 3 LYS C . 30310 1 38 . 1 1 3 3 LYS CA C 13 55.255 0.054 . 1 . . . . A 3 LYS CA . 30310 1 39 . 1 1 3 3 LYS CB C 13 34.033 0.082 . 1 . . . . A 3 LYS CB . 30310 1 40 . 1 1 3 3 LYS CG C 13 25.965 0.022 . 1 . . . . A 3 LYS CG . 30310 1 41 . 1 1 3 3 LYS CD C 13 29.590 0.018 . 1 . . . . A 3 LYS CD . 30310 1 42 . 1 1 3 3 LYS CE C 13 41.847 0.025 . 1 . . . . A 3 LYS CE . 30310 1 43 . 1 1 3 3 LYS N N 15 124.250 0.024 . 1 . . . . A 3 LYS N . 30310 1 44 . 1 1 4 4 ILE H H 1 9.228 0.004 . 1 . . . . A 4 ILE H . 30310 1 45 . 1 1 4 4 ILE HA H 1 4.863 0.014 . 1 . . . . A 4 ILE HA . 30310 1 46 . 1 1 4 4 ILE HB H 1 1.819 0.006 . 1 . . . . A 4 ILE HB . 30310 1 47 . 1 1 4 4 ILE HG12 H 1 1.424 0.003 . 2 . . . . A 4 ILE HG12 . 30310 1 48 . 1 1 4 4 ILE HG13 H 1 1.070 0.012 . 2 . . . . A 4 ILE HG13 . 30310 1 49 . 1 1 4 4 ILE HG21 H 1 0.967 0.005 . 1 . . . . A 4 ILE HG21 . 30310 1 50 . 1 1 4 4 ILE HG22 H 1 0.967 0.005 . 1 . . . . A 4 ILE HG22 . 30310 1 51 . 1 1 4 4 ILE HG23 H 1 0.967 0.005 . 1 . . . . A 4 ILE HG23 . 30310 1 52 . 1 1 4 4 ILE HD11 H 1 0.650 0.012 . 1 . . . . A 4 ILE HD11 . 30310 1 53 . 1 1 4 4 ILE HD12 H 1 0.650 0.012 . 1 . . . . A 4 ILE HD12 . 30310 1 54 . 1 1 4 4 ILE HD13 H 1 0.650 0.012 . 1 . . . . A 4 ILE HD13 . 30310 1 55 . 1 1 4 4 ILE CA C 13 57.302 0.016 . 1 . . . . A 4 ILE CA . 30310 1 56 . 1 1 4 4 ILE CB C 13 41.442 0.053 . 1 . . . . A 4 ILE CB . 30310 1 57 . 1 1 4 4 ILE CG1 C 13 26.288 0.059 . 1 . . . . A 4 ILE CG1 . 30310 1 58 . 1 1 4 4 ILE CG2 C 13 17.614 0.055 . 1 . . . . A 4 ILE CG2 . 30310 1 59 . 1 1 4 4 ILE CD1 C 13 14.126 0.053 . 1 . . . . A 4 ILE CD1 . 30310 1 60 . 1 1 4 4 ILE N N 15 123.950 0.025 . 1 . . . . A 4 ILE N . 30310 1 61 . 1 1 5 5 PRO HA H 1 5.066 0.006 . 1 . . . . A 5 PRO HA . 30310 1 62 . 1 1 5 5 PRO HB2 H 1 1.922 0.010 . 2 . . . . A 5 PRO HB2 . 30310 1 63 . 1 1 5 5 PRO HB3 H 1 2.583 0.008 . 2 . . . . A 5 PRO HB3 . 30310 1 64 . 1 1 5 5 PRO HG2 H 1 2.129 0.004 . 2 . . . . A 5 PRO HG2 . 30310 1 65 . 1 1 5 5 PRO HG3 H 1 2.129 0.004 . 2 . . . . A 5 PRO HG3 . 30310 1 66 . 1 1 5 5 PRO HD2 H 1 3.624 0.006 . 2 . . . . A 5 PRO HD2 . 30310 1 67 . 1 1 5 5 PRO HD3 H 1 3.967 0.005 . 2 . . . . A 5 PRO HD3 . 30310 1 68 . 1 1 5 5 PRO C C 13 178.050 0.000 . 1 . . . . A 5 PRO C . 30310 1 69 . 1 1 5 5 PRO CA C 13 63.111 0.058 . 1 . . . . A 5 PRO CA . 30310 1 70 . 1 1 5 5 PRO CB C 13 32.874 0.081 . 1 . . . . A 5 PRO CB . 30310 1 71 . 1 1 5 5 PRO CG C 13 28.162 0.000 . 1 . . . . A 5 PRO CG . 30310 1 72 . 1 1 5 5 PRO CD C 13 51.166 0.016 . 1 . . . . A 5 PRO CD . 30310 1 73 . 1 1 6 6 LEU H H 1 8.942 0.005 . 1 . . . . A 6 LEU H . 30310 1 74 . 1 1 6 6 LEU HA H 1 4.009 0.009 . 1 . . . . A 6 LEU HA . 30310 1 75 . 1 1 6 6 LEU HB2 H 1 2.048 0.010 . 2 . . . . A 6 LEU HB2 . 30310 1 76 . 1 1 6 6 LEU HB3 H 1 1.497 0.007 . 2 . . . . A 6 LEU HB3 . 30310 1 77 . 1 1 6 6 LEU HG H 1 1.567 0.000 . 1 . . . . A 6 LEU HG . 30310 1 78 . 1 1 6 6 LEU HD11 H 1 0.804 0.005 . 1 . . . . A 6 LEU HD11 . 30310 1 79 . 1 1 6 6 LEU HD12 H 1 0.804 0.005 . 1 . . . . A 6 LEU HD12 . 30310 1 80 . 1 1 6 6 LEU HD13 H 1 0.804 0.005 . 1 . . . . A 6 LEU HD13 . 30310 1 81 . 1 1 6 6 LEU HD21 H 1 0.854 0.009 . 1 . . . . A 6 LEU HD21 . 30310 1 82 . 1 1 6 6 LEU HD22 H 1 0.854 0.009 . 1 . . . . A 6 LEU HD22 . 30310 1 83 . 1 1 6 6 LEU HD23 H 1 0.854 0.009 . 1 . . . . A 6 LEU HD23 . 30310 1 84 . 1 1 6 6 LEU C C 13 177.589 0.000 . 1 . . . . A 6 LEU C . 30310 1 85 . 1 1 6 6 LEU CA C 13 59.082 0.056 . 1 . . . . A 6 LEU CA . 30310 1 86 . 1 1 6 6 LEU CB C 13 42.165 0.084 . 1 . . . . A 6 LEU CB . 30310 1 87 . 1 1 6 6 LEU CD1 C 13 24.310 0.008 . 1 . . . . A 6 LEU CD1 . 30310 1 88 . 1 1 6 6 LEU CD2 C 13 26.554 0.059 . 1 . . . . A 6 LEU CD2 . 30310 1 89 . 1 1 6 6 LEU N N 15 125.669 0.055 . 1 . . . . A 6 LEU N . 30310 1 90 . 1 1 7 7 SER H H 1 8.884 0.004 . 1 . . . . A 7 SER H . 30310 1 91 . 1 1 7 7 SER HA H 1 4.055 0.006 . 1 . . . . A 7 SER HA . 30310 1 92 . 1 1 7 7 SER HB2 H 1 3.937 0.002 . 2 . . . . A 7 SER HB2 . 30310 1 93 . 1 1 7 7 SER HB3 H 1 3.937 0.002 . 2 . . . . A 7 SER HB3 . 30310 1 94 . 1 1 7 7 SER C C 13 176.665 0.000 . 1 . . . . A 7 SER C . 30310 1 95 . 1 1 7 7 SER CA C 13 61.657 0.092 . 1 . . . . A 7 SER CA . 30310 1 96 . 1 1 7 7 SER CB C 13 61.735 0.000 . 1 . . . . A 7 SER CB . 30310 1 97 . 1 1 7 7 SER N N 15 111.109 0.029 . 1 . . . . A 7 SER N . 30310 1 98 . 1 1 8 8 LYS H H 1 7.050 0.004 . 1 . . . . A 8 LYS H . 30310 1 99 . 1 1 8 8 LYS HA H 1 4.353 0.009 . 1 . . . . A 8 LYS HA . 30310 1 100 . 1 1 8 8 LYS HB2 H 1 2.019 0.015 . 2 . . . . A 8 LYS HB2 . 30310 1 101 . 1 1 8 8 LYS HB3 H 1 2.019 0.015 . 2 . . . . A 8 LYS HB3 . 30310 1 102 . 1 1 8 8 LYS HG2 H 1 1.564 0.010 . 2 . . . . A 8 LYS HG2 . 30310 1 103 . 1 1 8 8 LYS HG3 H 1 1.564 0.010 . 2 . . . . A 8 LYS HG3 . 30310 1 104 . 1 1 8 8 LYS HD2 H 1 1.769 0.002 . 2 . . . . A 8 LYS HD2 . 30310 1 105 . 1 1 8 8 LYS HD3 H 1 1.769 0.002 . 2 . . . . A 8 LYS HD3 . 30310 1 106 . 1 1 8 8 LYS HE2 H 1 3.016 0.004 . 2 . . . . A 8 LYS HE2 . 30310 1 107 . 1 1 8 8 LYS HE3 H 1 3.016 0.004 . 2 . . . . A 8 LYS HE3 . 30310 1 108 . 1 1 8 8 LYS C C 13 178.670 0.000 . 1 . . . . A 8 LYS C . 30310 1 109 . 1 1 8 8 LYS CA C 13 57.589 0.030 . 1 . . . . A 8 LYS CA . 30310 1 110 . 1 1 8 8 LYS CB C 13 32.068 0.082 . 1 . . . . A 8 LYS CB . 30310 1 111 . 1 1 8 8 LYS CE C 13 41.638 0.047 . 1 . . . . A 8 LYS CE . 30310 1 112 . 1 1 8 8 LYS N N 15 122.654 0.040 . 1 . . . . A 8 LYS N . 30310 1 113 . 1 1 9 9 TYR H H 1 8.735 0.004 . 1 . . . . A 9 TYR H . 30310 1 114 . 1 1 9 9 TYR HA H 1 3.963 0.014 . 1 . . . . A 9 TYR HA . 30310 1 115 . 1 1 9 9 TYR HB2 H 1 2.755 0.014 . 2 . . . . A 9 TYR HB2 . 30310 1 116 . 1 1 9 9 TYR HB3 H 1 3.411 0.009 . 2 . . . . A 9 TYR HB3 . 30310 1 117 . 1 1 9 9 TYR HD1 H 1 6.710 0.007 . 3 . . . . A 9 TYR HD1 . 30310 1 118 . 1 1 9 9 TYR HD2 H 1 6.710 0.007 . 3 . . . . A 9 TYR HD2 . 30310 1 119 . 1 1 9 9 TYR HE1 H 1 6.576 0.009 . 3 . . . . A 9 TYR HE1 . 30310 1 120 . 1 1 9 9 TYR HE2 H 1 6.576 0.009 . 3 . . . . A 9 TYR HE2 . 30310 1 121 . 1 1 9 9 TYR C C 13 178.041 0.000 . 1 . . . . A 9 TYR C . 30310 1 122 . 1 1 9 9 TYR CA C 13 62.736 0.052 . 1 . . . . A 9 TYR CA . 30310 1 123 . 1 1 9 9 TYR CB C 13 38.346 0.064 . 1 . . . . A 9 TYR CB . 30310 1 124 . 1 1 9 9 TYR N N 15 122.745 0.036 . 1 . . . . A 9 TYR N . 30310 1 125 . 1 1 10 10 LEU H H 1 8.256 0.004 . 1 . . . . A 10 LEU H . 30310 1 126 . 1 1 10 10 LEU HA H 1 4.791 0.006 . 1 . . . . A 10 LEU HA . 30310 1 127 . 1 1 10 10 LEU HB2 H 1 1.917 0.011 . 2 . . . . A 10 LEU HB2 . 30310 1 128 . 1 1 10 10 LEU HB3 H 1 1.614 0.012 . 2 . . . . A 10 LEU HB3 . 30310 1 129 . 1 1 10 10 LEU HG H 1 2.015 0.011 . 1 . . . . A 10 LEU HG . 30310 1 130 . 1 1 10 10 LEU HD11 H 1 0.922 0.007 . 1 . . . . A 10 LEU HD11 . 30310 1 131 . 1 1 10 10 LEU HD12 H 1 0.922 0.007 . 1 . . . . A 10 LEU HD12 . 30310 1 132 . 1 1 10 10 LEU HD13 H 1 0.922 0.007 . 1 . . . . A 10 LEU HD13 . 30310 1 133 . 1 1 10 10 LEU HD21 H 1 0.949 0.005 . 1 . . . . A 10 LEU HD21 . 30310 1 134 . 1 1 10 10 LEU HD22 H 1 0.949 0.005 . 1 . . . . A 10 LEU HD22 . 30310 1 135 . 1 1 10 10 LEU HD23 H 1 0.949 0.005 . 1 . . . . A 10 LEU HD23 . 30310 1 136 . 1 1 10 10 LEU C C 13 178.109 0.000 . 1 . . . . A 10 LEU C . 30310 1 137 . 1 1 10 10 LEU CA C 13 56.008 0.019 . 1 . . . . A 10 LEU CA . 30310 1 138 . 1 1 10 10 LEU CB C 13 41.442 0.061 . 1 . . . . A 10 LEU CB . 30310 1 139 . 1 1 10 10 LEU CG C 13 27.318 0.000 . 1 . . . . A 10 LEU CG . 30310 1 140 . 1 1 10 10 LEU CD1 C 13 26.667 0.036 . 1 . . . . A 10 LEU CD1 . 30310 1 141 . 1 1 10 10 LEU CD2 C 13 22.765 0.042 . 1 . . . . A 10 LEU CD2 . 30310 1 142 . 1 1 10 10 LEU N N 15 118.029 0.026 . 1 . . . . A 10 LEU N . 30310 1 143 . 1 1 11 11 GLU H H 1 7.532 0.006 . 1 . . . . A 11 GLU H . 30310 1 144 . 1 1 11 11 GLU HA H 1 4.225 0.007 . 1 . . . . A 11 GLU HA . 30310 1 145 . 1 1 11 11 GLU HB2 H 1 2.231 0.015 . 2 . . . . A 11 GLU HB2 . 30310 1 146 . 1 1 11 11 GLU HB3 H 1 2.118 0.013 . 2 . . . . A 11 GLU HB3 . 30310 1 147 . 1 1 11 11 GLU HG2 H 1 2.497 0.011 . 2 . . . . A 11 GLU HG2 . 30310 1 148 . 1 1 11 11 GLU HG3 H 1 2.497 0.011 . 2 . . . . A 11 GLU HG3 . 30310 1 149 . 1 1 11 11 GLU C C 13 178.336 0.000 . 1 . . . . A 11 GLU C . 30310 1 150 . 1 1 11 11 GLU CA C 13 58.429 0.067 . 1 . . . . A 11 GLU CA . 30310 1 151 . 1 1 11 11 GLU CB C 13 31.271 0.070 . 1 . . . . A 11 GLU CB . 30310 1 152 . 1 1 11 11 GLU N N 15 117.173 0.017 . 1 . . . . A 11 GLU N . 30310 1 153 . 1 1 12 12 GLU H H 1 7.809 0.002 . 1 . . . . A 12 GLU H . 30310 1 154 . 1 1 12 12 GLU HA H 1 4.386 0.010 . 1 . . . . A 12 GLU HA . 30310 1 155 . 1 1 12 12 GLU HB2 H 1 1.680 0.009 . 2 . . . . A 12 GLU HB2 . 30310 1 156 . 1 1 12 12 GLU HB3 H 1 1.680 0.009 . 2 . . . . A 12 GLU HB3 . 30310 1 157 . 1 1 12 12 GLU HG2 H 1 2.050 0.000 . 2 . . . . A 12 GLU HG2 . 30310 1 158 . 1 1 12 12 GLU HG3 H 1 2.050 0.000 . 2 . . . . A 12 GLU HG3 . 30310 1 159 . 1 1 12 12 GLU C C 13 176.312 0.000 . 1 . . . . A 12 GLU C . 30310 1 160 . 1 1 12 12 GLU CA C 13 56.963 0.047 . 1 . . . . A 12 GLU CA . 30310 1 161 . 1 1 12 12 GLU CB C 13 32.744 0.088 . 1 . . . . A 12 GLU CB . 30310 1 162 . 1 1 12 12 GLU N N 15 113.644 0.017 . 1 . . . . A 12 GLU N . 30310 1 163 . 1 1 13 13 HIS H H 1 8.402 0.003 . 1 . . . . A 13 HIS H . 30310 1 164 . 1 1 13 13 HIS HA H 1 4.494 0.014 . 1 . . . . A 13 HIS HA . 30310 1 165 . 1 1 13 13 HIS HB2 H 1 2.095 0.010 . 2 . . . . A 13 HIS HB2 . 30310 1 166 . 1 1 13 13 HIS HB3 H 1 2.500 0.018 . 2 . . . . A 13 HIS HB3 . 30310 1 167 . 1 1 13 13 HIS HD2 H 1 6.689 0.009 . 1 . . . . A 13 HIS HD2 . 30310 1 168 . 1 1 13 13 HIS HE1 H 1 7.715 0.003 . 1 . . . . A 13 HIS HE1 . 30310 1 169 . 1 1 13 13 HIS C C 13 175.284 0.000 . 1 . . . . A 13 HIS C . 30310 1 170 . 1 1 13 13 HIS CA C 13 57.503 0.058 . 1 . . . . A 13 HIS CA . 30310 1 171 . 1 1 13 13 HIS CB C 13 32.037 0.022 . 1 . . . . A 13 HIS CB . 30310 1 172 . 1 1 13 13 HIS CD2 C 13 120.704 0.000 . 1 . . . . A 13 HIS CD2 . 30310 1 173 . 1 1 13 13 HIS CE1 C 13 137.999 0.000 . 1 . . . . A 13 HIS CE1 . 30310 1 174 . 1 1 13 13 HIS N N 15 117.223 0.032 . 1 . . . . A 13 HIS N . 30310 1 175 . 1 1 14 14 GLY H H 1 7.666 0.005 . 1 . . . . A 14 GLY H . 30310 1 176 . 1 1 14 14 GLY HA2 H 1 4.242 0.012 . 2 . . . . A 14 GLY HA2 . 30310 1 177 . 1 1 14 14 GLY HA3 H 1 3.846 0.009 . 2 . . . . A 14 GLY HA3 . 30310 1 178 . 1 1 14 14 GLY C C 13 171.152 0.000 . 1 . . . . A 14 GLY C . 30310 1 179 . 1 1 14 14 GLY CA C 13 45.700 0.034 . 1 . . . . A 14 GLY CA . 30310 1 180 . 1 1 14 14 GLY N N 15 108.066 0.020 . 1 . . . . A 14 GLY N . 30310 1 181 . 1 1 15 15 THR H H 1 7.392 0.003 . 1 . . . . A 15 THR H . 30310 1 182 . 1 1 15 15 THR HA H 1 4.762 0.008 . 1 . . . . A 15 THR HA . 30310 1 183 . 1 1 15 15 THR HB H 1 4.746 0.006 . 1 . . . . A 15 THR HB . 30310 1 184 . 1 1 15 15 THR HG21 H 1 1.337 0.009 . 1 . . . . A 15 THR HG21 . 30310 1 185 . 1 1 15 15 THR HG22 H 1 1.337 0.009 . 1 . . . . A 15 THR HG22 . 30310 1 186 . 1 1 15 15 THR HG23 H 1 1.337 0.009 . 1 . . . . A 15 THR HG23 . 30310 1 187 . 1 1 15 15 THR C C 13 175.749 0.000 . 1 . . . . A 15 THR C . 30310 1 188 . 1 1 15 15 THR CA C 13 59.920 0.038 . 1 . . . . A 15 THR CA . 30310 1 189 . 1 1 15 15 THR CB C 13 72.072 0.056 . 1 . . . . A 15 THR CB . 30310 1 190 . 1 1 15 15 THR CG2 C 13 21.945 0.038 . 1 . . . . A 15 THR CG2 . 30310 1 191 . 1 1 15 15 THR N N 15 106.178 0.020 . 1 . . . . A 15 THR N . 30310 1 192 . 1 1 16 16 GLN H H 1 9.185 0.006 . 1 . . . . A 16 GLN H . 30310 1 193 . 1 1 16 16 GLN HA H 1 3.901 0.009 . 1 . . . . A 16 GLN HA . 30310 1 194 . 1 1 16 16 GLN HB2 H 1 2.167 0.014 . 2 . . . . A 16 GLN HB2 . 30310 1 195 . 1 1 16 16 GLN HB3 H 1 2.167 0.014 . 2 . . . . A 16 GLN HB3 . 30310 1 196 . 1 1 16 16 GLN HG2 H 1 2.614 0.005 . 2 . . . . A 16 GLN HG2 . 30310 1 197 . 1 1 16 16 GLN HG3 H 1 2.233 0.006 . 2 . . . . A 16 GLN HG3 . 30310 1 198 . 1 1 16 16 GLN HE21 H 1 7.433 0.001 . 2 . . . . A 16 GLN HE21 . 30310 1 199 . 1 1 16 16 GLN HE22 H 1 6.963 0.002 . 2 . . . . A 16 GLN HE22 . 30310 1 200 . 1 1 16 16 GLN C C 13 178.146 0.000 . 1 . . . . A 16 GLN C . 30310 1 201 . 1 1 16 16 GLN CA C 13 60.562 0.052 . 1 . . . . A 16 GLN CA . 30310 1 202 . 1 1 16 16 GLN CB C 13 28.901 0.103 . 1 . . . . A 16 GLN CB . 30310 1 203 . 1 1 16 16 GLN CG C 13 35.329 0.036 . 1 . . . . A 16 GLN CG . 30310 1 204 . 1 1 16 16 GLN N N 15 120.069 0.022 . 1 . . . . A 16 GLN N . 30310 1 205 . 1 1 16 16 GLN NE2 N 15 109.739 0.028 . 1 . . . . A 16 GLN NE2 . 30310 1 206 . 1 1 17 17 SER H H 1 8.447 0.004 . 1 . . . . A 17 SER H . 30310 1 207 . 1 1 17 17 SER HA H 1 4.071 0.009 . 1 . . . . A 17 SER HA . 30310 1 208 . 1 1 17 17 SER HB2 H 1 3.900 0.006 . 2 . . . . A 17 SER HB2 . 30310 1 209 . 1 1 17 17 SER HB3 H 1 3.900 0.006 . 2 . . . . A 17 SER HB3 . 30310 1 210 . 1 1 17 17 SER C C 13 177.102 0.000 . 1 . . . . A 17 SER C . 30310 1 211 . 1 1 17 17 SER CA C 13 61.376 0.129 . 1 . . . . A 17 SER CA . 30310 1 212 . 1 1 17 17 SER CB C 13 62.364 0.041 . 1 . . . . A 17 SER CB . 30310 1 213 . 1 1 17 17 SER N N 15 113.080 0.039 . 1 . . . . A 17 SER N . 30310 1 214 . 1 1 18 18 ALA H H 1 7.900 0.005 . 1 . . . . A 18 ALA H . 30310 1 215 . 1 1 18 18 ALA HA H 1 4.231 0.007 . 1 . . . . A 18 ALA HA . 30310 1 216 . 1 1 18 18 ALA HB1 H 1 1.604 0.006 . 1 . . . . A 18 ALA HB1 . 30310 1 217 . 1 1 18 18 ALA HB2 H 1 1.604 0.006 . 1 . . . . A 18 ALA HB2 . 30310 1 218 . 1 1 18 18 ALA HB3 H 1 1.604 0.006 . 1 . . . . A 18 ALA HB3 . 30310 1 219 . 1 1 18 18 ALA C C 13 180.840 0.000 . 1 . . . . A 18 ALA C . 30310 1 220 . 1 1 18 18 ALA CA C 13 55.012 0.025 . 1 . . . . A 18 ALA CA . 30310 1 221 . 1 1 18 18 ALA CB C 13 18.577 0.061 . 1 . . . . A 18 ALA CB . 30310 1 222 . 1 1 18 18 ALA N N 15 126.889 0.028 . 1 . . . . A 18 ALA N . 30310 1 223 . 1 1 19 19 LEU H H 1 8.465 0.002 . 1 . . . . A 19 LEU H . 30310 1 224 . 1 1 19 19 LEU HA H 1 4.069 0.010 . 1 . . . . A 19 LEU HA . 30310 1 225 . 1 1 19 19 LEU HB2 H 1 1.782 0.013 . 2 . . . . A 19 LEU HB2 . 30310 1 226 . 1 1 19 19 LEU HB3 H 1 1.643 0.005 . 2 . . . . A 19 LEU HB3 . 30310 1 227 . 1 1 19 19 LEU HG H 1 1.332 0.004 . 1 . . . . A 19 LEU HG . 30310 1 228 . 1 1 19 19 LEU HD11 H 1 0.391 0.006 . 1 . . . . A 19 LEU HD11 . 30310 1 229 . 1 1 19 19 LEU HD12 H 1 0.391 0.006 . 1 . . . . A 19 LEU HD12 . 30310 1 230 . 1 1 19 19 LEU HD13 H 1 0.391 0.006 . 1 . . . . A 19 LEU HD13 . 30310 1 231 . 1 1 19 19 LEU HD21 H 1 0.582 0.003 . 1 . . . . A 19 LEU HD21 . 30310 1 232 . 1 1 19 19 LEU HD22 H 1 0.582 0.003 . 1 . . . . A 19 LEU HD22 . 30310 1 233 . 1 1 19 19 LEU HD23 H 1 0.582 0.003 . 1 . . . . A 19 LEU HD23 . 30310 1 234 . 1 1 19 19 LEU CA C 13 57.469 0.035 . 1 . . . . A 19 LEU CA . 30310 1 235 . 1 1 19 19 LEU CB C 13 41.100 0.039 . 1 . . . . A 19 LEU CB . 30310 1 236 . 1 1 19 19 LEU CD1 C 13 22.155 0.046 . 1 . . . . A 19 LEU CD1 . 30310 1 237 . 1 1 19 19 LEU CD2 C 13 26.251 0.052 . 1 . . . . A 19 LEU CD2 . 30310 1 238 . 1 1 19 19 LEU N N 15 121.519 0.026 . 1 . . . . A 19 LEU N . 30310 1 239 . 1 1 20 20 ALA H H 1 8.259 0.003 . 1 . . . . A 20 ALA H . 30310 1 240 . 1 1 20 20 ALA HA H 1 3.774 0.011 . 1 . . . . A 20 ALA HA . 30310 1 241 . 1 1 20 20 ALA HB1 H 1 1.523 0.006 . 1 . . . . A 20 ALA HB1 . 30310 1 242 . 1 1 20 20 ALA HB2 H 1 1.523 0.006 . 1 . . . . A 20 ALA HB2 . 30310 1 243 . 1 1 20 20 ALA HB3 H 1 1.523 0.006 . 1 . . . . A 20 ALA HB3 . 30310 1 244 . 1 1 20 20 ALA C C 13 179.461 0.000 . 1 . . . . A 20 ALA C . 30310 1 245 . 1 1 20 20 ALA CA C 13 55.554 0.064 . 1 . . . . A 20 ALA CA . 30310 1 246 . 1 1 20 20 ALA CB C 13 17.565 0.076 . 1 . . . . A 20 ALA CB . 30310 1 247 . 1 1 20 20 ALA N N 15 120.533 0.030 . 1 . . . . A 20 ALA N . 30310 1 248 . 1 1 21 21 ALA H H 1 7.664 0.004 . 1 . . . . A 21 ALA H . 30310 1 249 . 1 1 21 21 ALA HA H 1 4.200 0.004 . 1 . . . . A 21 ALA HA . 30310 1 250 . 1 1 21 21 ALA HB1 H 1 1.527 0.001 . 1 . . . . A 21 ALA HB1 . 30310 1 251 . 1 1 21 21 ALA HB2 H 1 1.527 0.001 . 1 . . . . A 21 ALA HB2 . 30310 1 252 . 1 1 21 21 ALA HB3 H 1 1.527 0.001 . 1 . . . . A 21 ALA HB3 . 30310 1 253 . 1 1 21 21 ALA C C 13 180.388 0.000 . 1 . . . . A 21 ALA C . 30310 1 254 . 1 1 21 21 ALA CA C 13 54.626 0.068 . 1 . . . . A 21 ALA CA . 30310 1 255 . 1 1 21 21 ALA CB C 13 18.080 0.065 . 1 . . . . A 21 ALA CB . 30310 1 256 . 1 1 21 21 ALA N N 15 118.290 0.050 . 1 . . . . A 21 ALA N . 30310 1 257 . 1 1 22 22 ALA H H 1 8.014 0.003 . 1 . . . . A 22 ALA H . 30310 1 258 . 1 1 22 22 ALA HA H 1 4.168 0.003 . 1 . . . . A 22 ALA HA . 30310 1 259 . 1 1 22 22 ALA HB1 H 1 1.536 0.007 . 1 . . . . A 22 ALA HB1 . 30310 1 260 . 1 1 22 22 ALA HB2 H 1 1.536 0.007 . 1 . . . . A 22 ALA HB2 . 30310 1 261 . 1 1 22 22 ALA HB3 H 1 1.536 0.007 . 1 . . . . A 22 ALA HB3 . 30310 1 262 . 1 1 22 22 ALA C C 13 179.732 0.000 . 1 . . . . A 22 ALA C . 30310 1 263 . 1 1 22 22 ALA CA C 13 54.744 0.028 . 1 . . . . A 22 ALA CA . 30310 1 264 . 1 1 22 22 ALA CB C 13 18.516 0.048 . 1 . . . . A 22 ALA CB . 30310 1 265 . 1 1 22 22 ALA N N 15 121.067 0.027 . 1 . . . . A 22 ALA N . 30310 1 266 . 1 1 23 23 LEU H H 1 8.094 0.004 . 1 . . . . A 23 LEU H . 30310 1 267 . 1 1 23 23 LEU HA H 1 4.341 0.010 . 1 . . . . A 23 LEU HA . 30310 1 268 . 1 1 23 23 LEU HB2 H 1 1.762 0.011 . 2 . . . . A 23 LEU HB2 . 30310 1 269 . 1 1 23 23 LEU HB3 H 1 1.461 0.016 . 2 . . . . A 23 LEU HB3 . 30310 1 270 . 1 1 23 23 LEU HG H 1 1.333 0.000 . 1 . . . . A 23 LEU HG . 30310 1 271 . 1 1 23 23 LEU HD11 H 1 0.646 0.005 . 1 . . . . A 23 LEU HD11 . 30310 1 272 . 1 1 23 23 LEU HD12 H 1 0.646 0.005 . 1 . . . . A 23 LEU HD12 . 30310 1 273 . 1 1 23 23 LEU HD13 H 1 0.646 0.005 . 1 . . . . A 23 LEU HD13 . 30310 1 274 . 1 1 23 23 LEU HD21 H 1 0.750 0.005 . 1 . . . . A 23 LEU HD21 . 30310 1 275 . 1 1 23 23 LEU HD22 H 1 0.750 0.005 . 1 . . . . A 23 LEU HD22 . 30310 1 276 . 1 1 23 23 LEU HD23 H 1 0.750 0.005 . 1 . . . . A 23 LEU HD23 . 30310 1 277 . 1 1 23 23 LEU C C 13 177.466 0.000 . 1 . . . . A 23 LEU C . 30310 1 278 . 1 1 23 23 LEU CA C 13 54.931 0.062 . 1 . . . . A 23 LEU CA . 30310 1 279 . 1 1 23 23 LEU CB C 13 43.918 0.048 . 1 . . . . A 23 LEU CB . 30310 1 280 . 1 1 23 23 LEU CD1 C 13 26.844 0.043 . 1 . . . . A 23 LEU CD1 . 30310 1 281 . 1 1 23 23 LEU CD2 C 13 23.153 0.037 . 1 . . . . A 23 LEU CD2 . 30310 1 282 . 1 1 23 23 LEU N N 15 114.607 0.021 . 1 . . . . A 23 LEU N . 30310 1 283 . 1 1 24 24 GLY H H 1 8.027 0.003 . 1 . . . . A 24 GLY H . 30310 1 284 . 1 1 24 24 GLY HA2 H 1 4.005 0.005 . 2 . . . . A 24 GLY HA2 . 30310 1 285 . 1 1 24 24 GLY HA3 H 1 3.917 0.002 . 2 . . . . A 24 GLY HA3 . 30310 1 286 . 1 1 24 24 GLY C C 13 174.933 0.000 . 1 . . . . A 24 GLY C . 30310 1 287 . 1 1 24 24 GLY CA C 13 46.599 0.051 . 1 . . . . A 24 GLY CA . 30310 1 288 . 1 1 24 24 GLY N N 15 108.885 0.026 . 1 . . . . A 24 GLY N . 30310 1 289 . 1 1 25 25 VAL H H 1 7.871 0.003 . 1 . . . . A 25 VAL H . 30310 1 290 . 1 1 25 25 VAL HA H 1 4.716 0.007 . 1 . . . . A 25 VAL HA . 30310 1 291 . 1 1 25 25 VAL HB H 1 2.209 0.010 . 1 . . . . A 25 VAL HB . 30310 1 292 . 1 1 25 25 VAL HG11 H 1 0.787 0.006 . 1 . . . . A 25 VAL HG11 . 30310 1 293 . 1 1 25 25 VAL HG12 H 1 0.787 0.006 . 1 . . . . A 25 VAL HG12 . 30310 1 294 . 1 1 25 25 VAL HG13 H 1 0.787 0.006 . 1 . . . . A 25 VAL HG13 . 30310 1 295 . 1 1 25 25 VAL HG21 H 1 0.747 0.006 . 1 . . . . A 25 VAL HG21 . 30310 1 296 . 1 1 25 25 VAL HG22 H 1 0.747 0.006 . 1 . . . . A 25 VAL HG22 . 30310 1 297 . 1 1 25 25 VAL HG23 H 1 0.747 0.006 . 1 . . . . A 25 VAL HG23 . 30310 1 298 . 1 1 25 25 VAL C C 13 174.304 0.000 . 1 . . . . A 25 VAL C . 30310 1 299 . 1 1 25 25 VAL CA C 13 58.365 0.025 . 1 . . . . A 25 VAL CA . 30310 1 300 . 1 1 25 25 VAL CB C 13 35.044 0.085 . 1 . . . . A 25 VAL CB . 30310 1 301 . 1 1 25 25 VAL CG1 C 13 21.718 0.049 . 1 . . . . A 25 VAL CG1 . 30310 1 302 . 1 1 25 25 VAL CG2 C 13 19.238 0.037 . 1 . . . . A 25 VAL CG2 . 30310 1 303 . 1 1 25 25 VAL N N 15 111.397 0.020 . 1 . . . . A 25 VAL N . 30310 1 304 . 1 1 26 26 ASN H H 1 8.518 0.002 . 1 . . . . A 26 ASN H . 30310 1 305 . 1 1 26 26 ASN HA H 1 4.670 0.009 . 1 . . . . A 26 ASN HA . 30310 1 306 . 1 1 26 26 ASN HB2 H 1 2.852 0.009 . 2 . . . . A 26 ASN HB2 . 30310 1 307 . 1 1 26 26 ASN HB3 H 1 2.852 0.009 . 2 . . . . A 26 ASN HB3 . 30310 1 308 . 1 1 26 26 ASN HD21 H 1 7.812 0.002 . 2 . . . . A 26 ASN HD21 . 30310 1 309 . 1 1 26 26 ASN HD22 H 1 7.090 0.002 . 2 . . . . A 26 ASN HD22 . 30310 1 310 . 1 1 26 26 ASN C C 13 176.256 0.000 . 1 . . . . A 26 ASN C . 30310 1 311 . 1 1 26 26 ASN CA C 13 53.236 0.042 . 1 . . . . A 26 ASN CA . 30310 1 312 . 1 1 26 26 ASN CB C 13 39.398 0.044 . 1 . . . . A 26 ASN CB . 30310 1 313 . 1 1 26 26 ASN N N 15 119.061 0.034 . 1 . . . . A 26 ASN N . 30310 1 314 . 1 1 26 26 ASN ND2 N 15 114.140 0.020 . 1 . . . . A 26 ASN ND2 . 30310 1 315 . 1 1 27 27 GLN H H 1 9.252 0.002 . 1 . . . . A 27 GLN H . 30310 1 316 . 1 1 27 27 GLN HA H 1 3.788 0.008 . 1 . . . . A 27 GLN HA . 30310 1 317 . 1 1 27 27 GLN HG2 H 1 2.370 0.006 . 2 . . . . A 27 GLN HG2 . 30310 1 318 . 1 1 27 27 GLN HG3 H 1 2.135 0.009 . 2 . . . . A 27 GLN HG3 . 30310 1 319 . 1 1 27 27 GLN HE21 H 1 7.611 0.002 . 2 . . . . A 27 GLN HE21 . 30310 1 320 . 1 1 27 27 GLN HE22 H 1 6.988 0.003 . 2 . . . . A 27 GLN HE22 . 30310 1 321 . 1 1 27 27 GLN C C 13 177.827 0.000 . 1 . . . . A 27 GLN C . 30310 1 322 . 1 1 27 27 GLN CA C 13 60.266 0.055 . 1 . . . . A 27 GLN CA . 30310 1 323 . 1 1 27 27 GLN CB C 13 28.259 0.040 . 1 . . . . A 27 GLN CB . 30310 1 324 . 1 1 27 27 GLN N N 15 124.036 0.014 . 1 . . . . A 27 GLN N . 30310 1 325 . 1 1 27 27 GLN NE2 N 15 112.140 0.009 . 1 . . . . A 27 GLN NE2 . 30310 1 326 . 1 1 28 28 SER H H 1 8.879 0.002 . 1 . . . . A 28 SER H . 30310 1 327 . 1 1 28 28 SER HA H 1 4.216 0.008 . 1 . . . . A 28 SER HA . 30310 1 328 . 1 1 28 28 SER HB2 H 1 3.933 0.001 . 2 . . . . A 28 SER HB2 . 30310 1 329 . 1 1 28 28 SER HB3 H 1 3.933 0.001 . 2 . . . . A 28 SER HB3 . 30310 1 330 . 1 1 28 28 SER C C 13 176.312 0.000 . 1 . . . . A 28 SER C . 30310 1 331 . 1 1 28 28 SER CA C 13 60.878 0.116 . 1 . . . . A 28 SER CA . 30310 1 332 . 1 1 28 28 SER CB C 13 62.260 0.054 . 1 . . . . A 28 SER CB . 30310 1 333 . 1 1 28 28 SER N N 15 114.960 0.022 . 1 . . . . A 28 SER N . 30310 1 334 . 1 1 29 29 ALA H H 1 7.717 0.004 . 1 . . . . A 29 ALA H . 30310 1 335 . 1 1 29 29 ALA HA H 1 4.177 0.007 . 1 . . . . A 29 ALA HA . 30310 1 336 . 1 1 29 29 ALA HB1 H 1 1.478 0.010 . 1 . . . . A 29 ALA HB1 . 30310 1 337 . 1 1 29 29 ALA HB2 H 1 1.478 0.010 . 1 . . . . A 29 ALA HB2 . 30310 1 338 . 1 1 29 29 ALA HB3 H 1 1.478 0.010 . 1 . . . . A 29 ALA HB3 . 30310 1 339 . 1 1 29 29 ALA C C 13 180.200 0.000 . 1 . . . . A 29 ALA C . 30310 1 340 . 1 1 29 29 ALA CA C 13 54.833 0.036 . 1 . . . . A 29 ALA CA . 30310 1 341 . 1 1 29 29 ALA CB C 13 18.307 0.074 . 1 . . . . A 29 ALA CB . 30310 1 342 . 1 1 29 29 ALA N N 15 124.697 0.019 . 1 . . . . A 29 ALA N . 30310 1 343 . 1 1 30 30 ILE H H 1 7.178 0.005 . 1 . . . . A 30 ILE H . 30310 1 344 . 1 1 30 30 ILE HA H 1 3.696 0.011 . 1 . . . . A 30 ILE HA . 30310 1 345 . 1 1 30 30 ILE HB H 1 2.220 0.006 . 1 . . . . A 30 ILE HB . 30310 1 346 . 1 1 30 30 ILE HG12 H 1 1.527 0.007 . 2 . . . . A 30 ILE HG12 . 30310 1 347 . 1 1 30 30 ILE HG13 H 1 1.256 0.009 . 2 . . . . A 30 ILE HG13 . 30310 1 348 . 1 1 30 30 ILE HG21 H 1 0.939 0.009 . 1 . . . . A 30 ILE HG21 . 30310 1 349 . 1 1 30 30 ILE HG22 H 1 0.939 0.009 . 1 . . . . A 30 ILE HG22 . 30310 1 350 . 1 1 30 30 ILE HG23 H 1 0.939 0.009 . 1 . . . . A 30 ILE HG23 . 30310 1 351 . 1 1 30 30 ILE HD11 H 1 0.704 0.013 . 1 . . . . A 30 ILE HD11 . 30310 1 352 . 1 1 30 30 ILE HD12 H 1 0.704 0.013 . 1 . . . . A 30 ILE HD12 . 30310 1 353 . 1 1 30 30 ILE HD13 H 1 0.704 0.013 . 1 . . . . A 30 ILE HD13 . 30310 1 354 . 1 1 30 30 ILE C C 13 177.682 0.000 . 1 . . . . A 30 ILE C . 30310 1 355 . 1 1 30 30 ILE CA C 13 63.473 0.073 . 1 . . . . A 30 ILE CA . 30310 1 356 . 1 1 30 30 ILE CB C 13 36.818 0.053 . 1 . . . . A 30 ILE CB . 30310 1 357 . 1 1 30 30 ILE CG1 C 13 28.447 0.010 . 1 . . . . A 30 ILE CG1 . 30310 1 358 . 1 1 30 30 ILE CG2 C 13 18.538 0.058 . 1 . . . . A 30 ILE CG2 . 30310 1 359 . 1 1 30 30 ILE CD1 C 13 12.004 0.041 . 1 . . . . A 30 ILE CD1 . 30310 1 360 . 1 1 30 30 ILE N N 15 116.432 0.020 . 1 . . . . A 30 ILE N . 30310 1 361 . 1 1 31 31 SER H H 1 8.215 0.005 . 1 . . . . A 31 SER H . 30310 1 362 . 1 1 31 31 SER HA H 1 4.109 0.016 . 1 . . . . A 31 SER HA . 30310 1 363 . 1 1 31 31 SER HB2 H 1 3.992 0.011 . 2 . . . . A 31 SER HB2 . 30310 1 364 . 1 1 31 31 SER HB3 H 1 3.992 0.011 . 2 . . . . A 31 SER HB3 . 30310 1 365 . 1 1 31 31 SER C C 13 177.281 0.000 . 1 . . . . A 31 SER C . 30310 1 366 . 1 1 31 31 SER CA C 13 61.535 0.098 . 1 . . . . A 31 SER CA . 30310 1 367 . 1 1 31 31 SER CB C 13 62.698 0.076 . 1 . . . . A 31 SER CB . 30310 1 368 . 1 1 31 31 SER N N 15 115.016 0.041 . 1 . . . . A 31 SER N . 30310 1 369 . 1 1 32 32 GLN H H 1 8.039 0.004 . 1 . . . . A 32 GLN H . 30310 1 370 . 1 1 32 32 GLN HA H 1 4.034 0.009 . 1 . . . . A 32 GLN HA . 30310 1 371 . 1 1 32 32 GLN HB2 H 1 2.165 0.005 . 2 . . . . A 32 GLN HB2 . 30310 1 372 . 1 1 32 32 GLN HB3 H 1 2.165 0.005 . 2 . . . . A 32 GLN HB3 . 30310 1 373 . 1 1 32 32 GLN HG2 H 1 2.513 0.000 . 2 . . . . A 32 GLN HG2 . 30310 1 374 . 1 1 32 32 GLN HG3 H 1 2.441 0.000 . 2 . . . . A 32 GLN HG3 . 30310 1 375 . 1 1 32 32 GLN HE21 H 1 7.449 0.000 . 2 . . . . A 32 GLN HE21 . 30310 1 376 . 1 1 32 32 GLN HE22 H 1 6.883 0.000 . 2 . . . . A 32 GLN HE22 . 30310 1 377 . 1 1 32 32 GLN C C 13 178.447 0.000 . 1 . . . . A 32 GLN C . 30310 1 378 . 1 1 32 32 GLN CA C 13 59.069 0.061 . 1 . . . . A 32 GLN CA . 30310 1 379 . 1 1 32 32 GLN CB C 13 28.443 0.054 . 1 . . . . A 32 GLN CB . 30310 1 380 . 1 1 32 32 GLN N N 15 119.150 0.026 . 1 . . . . A 32 GLN N . 30310 1 381 . 1 1 32 32 GLN NE2 N 15 111.704 0.000 . 1 . . . . A 32 GLN NE2 . 30310 1 382 . 1 1 33 33 MET H H 1 7.471 0.005 . 1 . . . . A 33 MET H . 30310 1 383 . 1 1 33 33 MET HA H 1 4.153 0.016 . 1 . . . . A 33 MET HA . 30310 1 384 . 1 1 33 33 MET HB2 H 1 2.346 0.003 . 2 . . . . A 33 MET HB2 . 30310 1 385 . 1 1 33 33 MET HB3 H 1 1.909 0.017 . 2 . . . . A 33 MET HB3 . 30310 1 386 . 1 1 33 33 MET HG2 H 1 2.687 0.012 . 2 . . . . A 33 MET HG2 . 30310 1 387 . 1 1 33 33 MET HG3 H 1 2.624 0.005 . 2 . . . . A 33 MET HG3 . 30310 1 388 . 1 1 33 33 MET HE1 H 1 1.979 0.004 . 1 . . . . A 33 MET HE1 . 30310 1 389 . 1 1 33 33 MET HE2 H 1 1.979 0.004 . 1 . . . . A 33 MET HE2 . 30310 1 390 . 1 1 33 33 MET HE3 H 1 1.979 0.004 . 1 . . . . A 33 MET HE3 . 30310 1 391 . 1 1 33 33 MET C C 13 178.332 0.000 . 1 . . . . A 33 MET C . 30310 1 392 . 1 1 33 33 MET CA C 13 58.681 0.071 . 1 . . . . A 33 MET CA . 30310 1 393 . 1 1 33 33 MET CB C 13 33.063 0.120 . 1 . . . . A 33 MET CB . 30310 1 394 . 1 1 33 33 MET CG C 13 32.916 0.052 . 1 . . . . A 33 MET CG . 30310 1 395 . 1 1 33 33 MET CE C 13 18.019 0.048 . 1 . . . . A 33 MET CE . 30310 1 396 . 1 1 33 33 MET N N 15 118.708 0.021 . 1 . . . . A 33 MET N . 30310 1 397 . 1 1 34 34 VAL H H 1 8.085 0.005 . 1 . . . . A 34 VAL H . 30310 1 398 . 1 1 34 34 VAL HA H 1 3.704 0.006 . 1 . . . . A 34 VAL HA . 30310 1 399 . 1 1 34 34 VAL HB H 1 2.174 0.008 . 1 . . . . A 34 VAL HB . 30310 1 400 . 1 1 34 34 VAL HG11 H 1 0.937 0.005 . 1 . . . . A 34 VAL HG11 . 30310 1 401 . 1 1 34 34 VAL HG12 H 1 0.937 0.005 . 1 . . . . A 34 VAL HG12 . 30310 1 402 . 1 1 34 34 VAL HG13 H 1 0.937 0.005 . 1 . . . . A 34 VAL HG13 . 30310 1 403 . 1 1 34 34 VAL HG21 H 1 0.999 0.005 . 1 . . . . A 34 VAL HG21 . 30310 1 404 . 1 1 34 34 VAL HG22 H 1 0.999 0.005 . 1 . . . . A 34 VAL HG22 . 30310 1 405 . 1 1 34 34 VAL HG23 H 1 0.999 0.005 . 1 . . . . A 34 VAL HG23 . 30310 1 406 . 1 1 34 34 VAL CA C 13 66.082 0.093 . 1 . . . . A 34 VAL CA . 30310 1 407 . 1 1 34 34 VAL CB C 13 32.050 0.101 . 1 . . . . A 34 VAL CB . 30310 1 408 . 1 1 34 34 VAL CG1 C 13 21.162 0.034 . 1 . . . . A 34 VAL CG1 . 30310 1 409 . 1 1 34 34 VAL CG2 C 13 23.052 0.044 . 1 . . . . A 34 VAL CG2 . 30310 1 410 . 1 1 34 34 VAL N N 15 119.694 0.034 . 1 . . . . A 34 VAL N . 30310 1 411 . 1 1 35 35 ARG H H 1 8.257 0.002 . 1 . . . . A 35 ARG H . 30310 1 412 . 1 1 35 35 ARG HA H 1 4.088 0.011 . 1 . . . . A 35 ARG HA . 30310 1 413 . 1 1 35 35 ARG HB2 H 1 1.888 0.000 . 2 . . . . A 35 ARG HB2 . 30310 1 414 . 1 1 35 35 ARG HB3 H 1 1.888 0.000 . 2 . . . . A 35 ARG HB3 . 30310 1 415 . 1 1 35 35 ARG C C 13 177.525 0.000 . 1 . . . . A 35 ARG C . 30310 1 416 . 1 1 35 35 ARG CA C 13 58.650 0.068 . 1 . . . . A 35 ARG CA . 30310 1 417 . 1 1 35 35 ARG CB C 13 30.274 0.115 . 1 . . . . A 35 ARG CB . 30310 1 418 . 1 1 35 35 ARG N N 15 120.522 0.024 . 1 . . . . A 35 ARG N . 30310 1 419 . 1 1 36 36 ALA H H 1 7.671 0.005 . 1 . . . . A 36 ALA H . 30310 1 420 . 1 1 36 36 ALA HA H 1 4.310 0.005 . 1 . . . . A 36 ALA HA . 30310 1 421 . 1 1 36 36 ALA HB1 H 1 1.522 0.002 . 1 . . . . A 36 ALA HB1 . 30310 1 422 . 1 1 36 36 ALA HB2 H 1 1.522 0.002 . 1 . . . . A 36 ALA HB2 . 30310 1 423 . 1 1 36 36 ALA HB3 H 1 1.522 0.002 . 1 . . . . A 36 ALA HB3 . 30310 1 424 . 1 1 36 36 ALA C C 13 178.354 0.000 . 1 . . . . A 36 ALA C . 30310 1 425 . 1 1 36 36 ALA CA C 13 52.809 0.038 . 1 . . . . A 36 ALA CA . 30310 1 426 . 1 1 36 36 ALA CB C 13 19.231 0.063 . 1 . . . . A 36 ALA CB . 30310 1 427 . 1 1 36 36 ALA N N 15 118.932 0.035 . 1 . . . . A 36 ALA N . 30310 1 428 . 1 1 37 37 GLY H H 1 7.877 0.004 . 1 . . . . A 37 GLY H . 30310 1 429 . 1 1 37 37 GLY HA2 H 1 3.960 0.001 . 2 . . . . A 37 GLY HA2 . 30310 1 430 . 1 1 37 37 GLY HA3 H 1 3.885 0.000 . 2 . . . . A 37 GLY HA3 . 30310 1 431 . 1 1 37 37 GLY C C 13 174.710 0.000 . 1 . . . . A 37 GLY C . 30310 1 432 . 1 1 37 37 GLY CA C 13 46.245 0.047 . 1 . . . . A 37 GLY CA . 30310 1 433 . 1 1 37 37 GLY N N 15 106.927 0.032 . 1 . . . . A 37 GLY N . 30310 1 434 . 1 1 38 38 ARG H H 1 7.610 0.004 . 1 . . . . A 38 ARG H . 30310 1 435 . 1 1 38 38 ARG HA H 1 4.253 0.006 . 1 . . . . A 38 ARG HA . 30310 1 436 . 1 1 38 38 ARG HB2 H 1 1.700 0.010 . 2 . . . . A 38 ARG HB2 . 30310 1 437 . 1 1 38 38 ARG HB3 H 1 1.700 0.010 . 2 . . . . A 38 ARG HB3 . 30310 1 438 . 1 1 38 38 ARG HD2 H 1 3.203 0.000 . 2 . . . . A 38 ARG HD2 . 30310 1 439 . 1 1 38 38 ARG HD3 H 1 3.203 0.000 . 2 . . . . A 38 ARG HD3 . 30310 1 440 . 1 1 38 38 ARG C C 13 175.787 0.000 . 1 . . . . A 38 ARG C . 30310 1 441 . 1 1 38 38 ARG CA C 13 55.623 0.033 . 1 . . . . A 38 ARG CA . 30310 1 442 . 1 1 38 38 ARG CB C 13 30.983 0.102 . 1 . . . . A 38 ARG CB . 30310 1 443 . 1 1 38 38 ARG N N 15 118.429 0.039 . 1 . . . . A 38 ARG N . 30310 1 444 . 1 1 39 39 CYS H H 1 8.799 0.002 . 1 . . . . A 39 CYS H . 30310 1 445 . 1 1 39 39 CYS HA H 1 4.553 0.008 . 1 . . . . A 39 CYS HA . 30310 1 446 . 1 1 39 39 CYS HB2 H 1 2.912 0.005 . 2 . . . . A 39 CYS HB2 . 30310 1 447 . 1 1 39 39 CYS HB3 H 1 2.844 0.003 . 2 . . . . A 39 CYS HB3 . 30310 1 448 . 1 1 39 39 CYS C C 13 173.958 0.000 . 1 . . . . A 39 CYS C . 30310 1 449 . 1 1 39 39 CYS CA C 13 59.109 0.004 . 1 . . . . A 39 CYS CA . 30310 1 450 . 1 1 39 39 CYS CB C 13 26.682 0.051 . 1 . . . . A 39 CYS CB . 30310 1 451 . 1 1 39 39 CYS N N 15 124.028 0.035 . 1 . . . . A 39 CYS N . 30310 1 452 . 1 1 40 40 ILE H H 1 7.656 0.005 . 1 . . . . A 40 ILE H . 30310 1 453 . 1 1 40 40 ILE HA H 1 4.380 0.007 . 1 . . . . A 40 ILE HA . 30310 1 454 . 1 1 40 40 ILE HB H 1 1.713 0.010 . 1 . . . . A 40 ILE HB . 30310 1 455 . 1 1 40 40 ILE HG12 H 1 1.340 0.007 . 2 . . . . A 40 ILE HG12 . 30310 1 456 . 1 1 40 40 ILE HG13 H 1 1.023 0.006 . 2 . . . . A 40 ILE HG13 . 30310 1 457 . 1 1 40 40 ILE HG21 H 1 0.756 0.007 . 1 . . . . A 40 ILE HG21 . 30310 1 458 . 1 1 40 40 ILE HG22 H 1 0.756 0.007 . 1 . . . . A 40 ILE HG22 . 30310 1 459 . 1 1 40 40 ILE HG23 H 1 0.756 0.007 . 1 . . . . A 40 ILE HG23 . 30310 1 460 . 1 1 40 40 ILE HD11 H 1 0.750 0.004 . 1 . . . . A 40 ILE HD11 . 30310 1 461 . 1 1 40 40 ILE HD12 H 1 0.750 0.004 . 1 . . . . A 40 ILE HD12 . 30310 1 462 . 1 1 40 40 ILE HD13 H 1 0.750 0.004 . 1 . . . . A 40 ILE HD13 . 30310 1 463 . 1 1 40 40 ILE C C 13 173.718 0.000 . 1 . . . . A 40 ILE C . 30310 1 464 . 1 1 40 40 ILE CA C 13 59.329 0.056 . 1 . . . . A 40 ILE CA . 30310 1 465 . 1 1 40 40 ILE CB C 13 40.801 0.100 . 1 . . . . A 40 ILE CB . 30310 1 466 . 1 1 40 40 ILE CG1 C 13 26.880 0.007 . 1 . . . . A 40 ILE CG1 . 30310 1 467 . 1 1 40 40 ILE CG2 C 13 18.457 0.038 . 1 . . . . A 40 ILE CG2 . 30310 1 468 . 1 1 40 40 ILE CD1 C 13 13.656 0.043 . 1 . . . . A 40 ILE CD1 . 30310 1 469 . 1 1 40 40 ILE N N 15 124.679 0.028 . 1 . . . . A 40 ILE N . 30310 1 470 . 1 1 41 41 ASP H H 1 8.702 0.003 . 1 . . . . A 41 ASP H . 30310 1 471 . 1 1 41 41 ASP HA H 1 5.158 0.011 . 1 . . . . A 41 ASP HA . 30310 1 472 . 1 1 41 41 ASP HB2 H 1 2.444 0.007 . 2 . . . . A 41 ASP HB2 . 30310 1 473 . 1 1 41 41 ASP HB3 H 1 2.131 0.009 . 2 . . . . A 41 ASP HB3 . 30310 1 474 . 1 1 41 41 ASP C C 13 175.166 0.000 . 1 . . . . A 41 ASP C . 30310 1 475 . 1 1 41 41 ASP CA C 13 53.847 0.026 . 1 . . . . A 41 ASP CA . 30310 1 476 . 1 1 41 41 ASP CB C 13 43.468 0.060 . 1 . . . . A 41 ASP CB . 30310 1 477 . 1 1 41 41 ASP N N 15 124.812 0.038 . 1 . . . . A 41 ASP N . 30310 1 478 . 1 1 42 42 ILE H H 1 9.371 0.006 . 1 . . . . A 42 ILE H . 30310 1 479 . 1 1 42 42 ILE HA H 1 4.367 0.010 . 1 . . . . A 42 ILE HA . 30310 1 480 . 1 1 42 42 ILE HB H 1 1.971 0.008 . 1 . . . . A 42 ILE HB . 30310 1 481 . 1 1 42 42 ILE HG12 H 1 1.360 0.004 . 2 . . . . A 42 ILE HG12 . 30310 1 482 . 1 1 42 42 ILE HG13 H 1 0.984 0.004 . 2 . . . . A 42 ILE HG13 . 30310 1 483 . 1 1 42 42 ILE HG21 H 1 0.557 0.004 . 1 . . . . A 42 ILE HG21 . 30310 1 484 . 1 1 42 42 ILE HG22 H 1 0.557 0.004 . 1 . . . . A 42 ILE HG22 . 30310 1 485 . 1 1 42 42 ILE HG23 H 1 0.557 0.004 . 1 . . . . A 42 ILE HG23 . 30310 1 486 . 1 1 42 42 ILE HD11 H 1 0.591 0.008 . 1 . . . . A 42 ILE HD11 . 30310 1 487 . 1 1 42 42 ILE HD12 H 1 0.591 0.008 . 1 . . . . A 42 ILE HD12 . 30310 1 488 . 1 1 42 42 ILE HD13 H 1 0.591 0.008 . 1 . . . . A 42 ILE HD13 . 30310 1 489 . 1 1 42 42 ILE C C 13 174.801 0.000 . 1 . . . . A 42 ILE C . 30310 1 490 . 1 1 42 42 ILE CA C 13 58.243 0.044 . 1 . . . . A 42 ILE CA . 30310 1 491 . 1 1 42 42 ILE CB C 13 37.787 0.044 . 1 . . . . A 42 ILE CB . 30310 1 492 . 1 1 42 42 ILE CG2 C 13 18.490 0.053 . 1 . . . . A 42 ILE CG2 . 30310 1 493 . 1 1 42 42 ILE CD1 C 13 11.381 0.041 . 1 . . . . A 42 ILE CD1 . 30310 1 494 . 1 1 42 42 ILE N N 15 122.624 0.040 . 1 . . . . A 42 ILE N . 30310 1 495 . 1 1 43 43 GLU H H 1 8.851 0.003 . 1 . . . . A 43 GLU H . 30310 1 496 . 1 1 43 43 GLU HA H 1 4.563 0.007 . 1 . . . . A 43 GLU HA . 30310 1 497 . 1 1 43 43 GLU HB2 H 1 2.050 0.000 . 2 . . . . A 43 GLU HB2 . 30310 1 498 . 1 1 43 43 GLU HB3 H 1 1.597 0.010 . 2 . . . . A 43 GLU HB3 . 30310 1 499 . 1 1 43 43 GLU C C 13 174.150 0.000 . 1 . . . . A 43 GLU C . 30310 1 500 . 1 1 43 43 GLU CA C 13 55.402 0.017 . 1 . . . . A 43 GLU CA . 30310 1 501 . 1 1 43 43 GLU CB C 13 31.547 0.045 . 1 . . . . A 43 GLU CB . 30310 1 502 . 1 1 43 43 GLU N N 15 124.667 0.043 . 1 . . . . A 43 GLU N . 30310 1 503 . 1 1 44 44 LEU H H 1 8.763 0.003 . 1 . . . . A 44 LEU H . 30310 1 504 . 1 1 44 44 LEU HA H 1 5.047 0.007 . 1 . . . . A 44 LEU HA . 30310 1 505 . 1 1 44 44 LEU HB2 H 1 1.686 0.014 . 2 . . . . A 44 LEU HB2 . 30310 1 506 . 1 1 44 44 LEU HB3 H 1 1.324 0.010 . 2 . . . . A 44 LEU HB3 . 30310 1 507 . 1 1 44 44 LEU HG H 1 1.498 0.001 . 1 . . . . A 44 LEU HG . 30310 1 508 . 1 1 44 44 LEU HD11 H 1 0.821 0.004 . 1 . . . . A 44 LEU HD11 . 30310 1 509 . 1 1 44 44 LEU HD12 H 1 0.821 0.004 . 1 . . . . A 44 LEU HD12 . 30310 1 510 . 1 1 44 44 LEU HD13 H 1 0.821 0.004 . 1 . . . . A 44 LEU HD13 . 30310 1 511 . 1 1 44 44 LEU HD21 H 1 0.756 0.006 . 1 . . . . A 44 LEU HD21 . 30310 1 512 . 1 1 44 44 LEU HD22 H 1 0.756 0.006 . 1 . . . . A 44 LEU HD22 . 30310 1 513 . 1 1 44 44 LEU HD23 H 1 0.756 0.006 . 1 . . . . A 44 LEU HD23 . 30310 1 514 . 1 1 44 44 LEU C C 13 176.764 0.000 . 1 . . . . A 44 LEU C . 30310 1 515 . 1 1 44 44 LEU CA C 13 53.809 0.031 . 1 . . . . A 44 LEU CA . 30310 1 516 . 1 1 44 44 LEU CB C 13 44.112 0.089 . 1 . . . . A 44 LEU CB . 30310 1 517 . 1 1 44 44 LEU CD1 C 13 25.154 0.045 . 1 . . . . A 44 LEU CD1 . 30310 1 518 . 1 1 44 44 LEU CD2 C 13 25.953 0.076 . 1 . . . . A 44 LEU CD2 . 30310 1 519 . 1 1 44 44 LEU N N 15 123.476 0.039 . 1 . . . . A 44 LEU N . 30310 1 520 . 1 1 45 45 TYR H H 1 8.812 0.004 . 1 . . . . A 45 TYR H . 30310 1 521 . 1 1 45 45 TYR HA H 1 4.577 0.011 . 1 . . . . A 45 TYR HA . 30310 1 522 . 1 1 45 45 TYR HB2 H 1 3.093 0.008 . 2 . . . . A 45 TYR HB2 . 30310 1 523 . 1 1 45 45 TYR HB3 H 1 3.279 0.009 . 2 . . . . A 45 TYR HB3 . 30310 1 524 . 1 1 45 45 TYR HD1 H 1 7.176 0.006 . 3 . . . . A 45 TYR HD1 . 30310 1 525 . 1 1 45 45 TYR HD2 H 1 7.176 0.006 . 3 . . . . A 45 TYR HD2 . 30310 1 526 . 1 1 45 45 TYR HE1 H 1 6.681 0.007 . 3 . . . . A 45 TYR HE1 . 30310 1 527 . 1 1 45 45 TYR HE2 H 1 6.681 0.007 . 3 . . . . A 45 TYR HE2 . 30310 1 528 . 1 1 45 45 TYR CA C 13 58.455 0.004 . 1 . . . . A 45 TYR CA . 30310 1 529 . 1 1 45 45 TYR CB C 13 40.392 0.082 . 1 . . . . A 45 TYR CB . 30310 1 530 . 1 1 45 45 TYR N N 15 126.319 0.009 . 1 . . . . A 45 TYR N . 30310 1 531 . 1 1 46 46 THR HA H 1 4.041 0.006 . 1 . . . . A 46 THR HA . 30310 1 532 . 1 1 46 46 THR HB H 1 4.350 0.006 . 1 . . . . A 46 THR HB . 30310 1 533 . 1 1 46 46 THR HG21 H 1 1.360 0.005 . 1 . . . . A 46 THR HG21 . 30310 1 534 . 1 1 46 46 THR HG22 H 1 1.360 0.005 . 1 . . . . A 46 THR HG22 . 30310 1 535 . 1 1 46 46 THR HG23 H 1 1.360 0.005 . 1 . . . . A 46 THR HG23 . 30310 1 536 . 1 1 46 46 THR C C 13 174.958 0.000 . 1 . . . . A 46 THR C . 30310 1 537 . 1 1 46 46 THR CA C 13 65.516 0.072 . 1 . . . . A 46 THR CA . 30310 1 538 . 1 1 46 46 THR CB C 13 68.912 0.047 . 1 . . . . A 46 THR CB . 30310 1 539 . 1 1 46 46 THR CG2 C 13 22.285 0.000 . 1 . . . . A 46 THR CG2 . 30310 1 540 . 1 1 47 47 ASP H H 1 8.133 0.005 . 1 . . . . A 47 ASP H . 30310 1 541 . 1 1 47 47 ASP HA H 1 4.524 0.006 . 1 . . . . A 47 ASP HA . 30310 1 542 . 1 1 47 47 ASP HB2 H 1 3.056 0.011 . 2 . . . . A 47 ASP HB2 . 30310 1 543 . 1 1 47 47 ASP HB3 H 1 2.637 0.006 . 2 . . . . A 47 ASP HB3 . 30310 1 544 . 1 1 47 47 ASP C C 13 176.905 0.000 . 1 . . . . A 47 ASP C . 30310 1 545 . 1 1 47 47 ASP CA C 13 53.698 0.053 . 1 . . . . A 47 ASP CA . 30310 1 546 . 1 1 47 47 ASP CB C 13 40.029 0.052 . 1 . . . . A 47 ASP CB . 30310 1 547 . 1 1 47 47 ASP N N 15 118.643 0.025 . 1 . . . . A 47 ASP N . 30310 1 548 . 1 1 48 48 GLY H H 1 8.093 0.004 . 1 . . . . A 48 GLY H . 30310 1 549 . 1 1 48 48 GLY HA2 H 1 4.405 0.006 . 2 . . . . A 48 GLY HA2 . 30310 1 550 . 1 1 48 48 GLY HA3 H 1 3.669 0.005 . 2 . . . . A 48 GLY HA3 . 30310 1 551 . 1 1 48 48 GLY C C 13 174.614 0.000 . 1 . . . . A 48 GLY C . 30310 1 552 . 1 1 48 48 GLY CA C 13 44.943 0.043 . 1 . . . . A 48 GLY CA . 30310 1 553 . 1 1 48 48 GLY N N 15 108.033 0.034 . 1 . . . . A 48 GLY N . 30310 1 554 . 1 1 49 49 ARG H H 1 7.867 0.001 . 1 . . . . A 49 ARG H . 30310 1 555 . 1 1 49 49 ARG HA H 1 4.253 0.007 . 1 . . . . A 49 ARG HA . 30310 1 556 . 1 1 49 49 ARG HB2 H 1 1.856 0.003 . 2 . . . . A 49 ARG HB2 . 30310 1 557 . 1 1 49 49 ARG HB3 H 1 1.624 0.012 . 2 . . . . A 49 ARG HB3 . 30310 1 558 . 1 1 49 49 ARG HG2 H 1 1.552 0.000 . 2 . . . . A 49 ARG HG2 . 30310 1 559 . 1 1 49 49 ARG HG3 H 1 1.552 0.000 . 2 . . . . A 49 ARG HG3 . 30310 1 560 . 1 1 49 49 ARG HD2 H 1 3.014 0.017 . 2 . . . . A 49 ARG HD2 . 30310 1 561 . 1 1 49 49 ARG HD3 H 1 3.014 0.017 . 2 . . . . A 49 ARG HD3 . 30310 1 562 . 1 1 49 49 ARG HE H 1 7.947 0.001 . 1 . . . . A 49 ARG HE . 30310 1 563 . 1 1 49 49 ARG C C 13 174.991 0.000 . 1 . . . . A 49 ARG C . 30310 1 564 . 1 1 49 49 ARG CA C 13 57.536 0.036 . 1 . . . . A 49 ARG CA . 30310 1 565 . 1 1 49 49 ARG CB C 13 31.088 0.067 . 1 . . . . A 49 ARG CB . 30310 1 566 . 1 1 49 49 ARG N N 15 121.801 0.034 . 1 . . . . A 49 ARG N . 30310 1 567 . 1 1 49 49 ARG NE N 15 85.37 0.003 . 1 . . . . A 49 ARG NE . 30310 1 568 . 1 1 50 50 VAL H H 1 8.047 0.003 . 1 . . . . A 50 VAL H . 30310 1 569 . 1 1 50 50 VAL HA H 1 5.425 0.011 . 1 . . . . A 50 VAL HA . 30310 1 570 . 1 1 50 50 VAL HB H 1 1.717 0.008 . 1 . . . . A 50 VAL HB . 30310 1 571 . 1 1 50 50 VAL HG11 H 1 0.751 0.005 . 1 . . . . A 50 VAL HG11 . 30310 1 572 . 1 1 50 50 VAL HG12 H 1 0.751 0.005 . 1 . . . . A 50 VAL HG12 . 30310 1 573 . 1 1 50 50 VAL HG13 H 1 0.751 0.005 . 1 . . . . A 50 VAL HG13 . 30310 1 574 . 1 1 50 50 VAL HG21 H 1 0.853 0.005 . 1 . . . . A 50 VAL HG21 . 30310 1 575 . 1 1 50 50 VAL HG22 H 1 0.853 0.005 . 1 . . . . A 50 VAL HG22 . 30310 1 576 . 1 1 50 50 VAL HG23 H 1 0.853 0.005 . 1 . . . . A 50 VAL HG23 . 30310 1 577 . 1 1 50 50 VAL C C 13 175.105 0.000 . 1 . . . . A 50 VAL C . 30310 1 578 . 1 1 50 50 VAL CA C 13 59.901 0.024 . 1 . . . . A 50 VAL CA . 30310 1 579 . 1 1 50 50 VAL CB C 13 35.159 0.087 . 1 . . . . A 50 VAL CB . 30310 1 580 . 1 1 50 50 VAL CG1 C 13 22.347 0.047 . 1 . . . . A 50 VAL CG1 . 30310 1 581 . 1 1 50 50 VAL CG2 C 13 20.618 0.055 . 1 . . . . A 50 VAL CG2 . 30310 1 582 . 1 1 50 50 VAL N N 15 119.779 0.038 . 1 . . . . A 50 VAL N . 30310 1 583 . 1 1 51 51 GLU H H 1 8.980 0.005 . 1 . . . . A 51 GLU H . 30310 1 584 . 1 1 51 51 GLU HA H 1 4.664 0.008 . 1 . . . . A 51 GLU HA . 30310 1 585 . 1 1 51 51 GLU HB2 H 1 2.123 0.008 . 2 . . . . A 51 GLU HB2 . 30310 1 586 . 1 1 51 51 GLU HB3 H 1 2.007 0.006 . 2 . . . . A 51 GLU HB3 . 30310 1 587 . 1 1 51 51 GLU C C 13 174.809 0.000 . 1 . . . . A 51 GLU C . 30310 1 588 . 1 1 51 51 GLU CA C 13 54.490 0.040 . 1 . . . . A 51 GLU CA . 30310 1 589 . 1 1 51 51 GLU CB C 13 34.637 0.086 . 1 . . . . A 51 GLU CB . 30310 1 590 . 1 1 51 51 GLU N N 15 121.104 0.030 . 1 . . . . A 51 GLU N . 30310 1 591 . 1 1 52 52 CYS H H 1 9.097 0.004 . 1 . . . . A 52 CYS H . 30310 1 592 . 1 1 52 52 CYS HA H 1 4.682 0.008 . 1 . . . . A 52 CYS HA . 30310 1 593 . 1 1 52 52 CYS HB2 H 1 2.900 0.010 . 2 . . . . A 52 CYS HB2 . 30310 1 594 . 1 1 52 52 CYS HB3 H 1 2.521 0.009 . 2 . . . . A 52 CYS HB3 . 30310 1 595 . 1 1 52 52 CYS CA C 13 59.054 0.008 . 1 . . . . A 52 CYS CA . 30310 1 596 . 1 1 52 52 CYS CB C 13 28.333 0.054 . 1 . . . . A 52 CYS CB . 30310 1 597 . 1 1 52 52 CYS N N 15 121.640 0.026 . 1 . . . . A 52 CYS N . 30310 1 598 . 1 1 53 53 ARG H H 1 9.581 0.004 . 1 . . . . A 53 ARG H . 30310 1 599 . 1 1 53 53 ARG HA H 1 4.066 0.012 . 1 . . . . A 53 ARG HA . 30310 1 600 . 1 1 53 53 ARG HB2 H 1 1.827 0.000 . 2 . . . . A 53 ARG HB2 . 30310 1 601 . 1 1 53 53 ARG HB3 H 1 1.827 0.000 . 2 . . . . A 53 ARG HB3 . 30310 1 602 . 1 1 53 53 ARG C C 13 177.491 0.000 . 1 . . . . A 53 ARG C . 30310 1 603 . 1 1 53 53 ARG CA C 13 58.963 0.045 . 1 . . . . A 53 ARG CA . 30310 1 604 . 1 1 53 53 ARG CB C 13 29.837 0.052 . 1 . . . . A 53 ARG CB . 30310 1 605 . 1 1 53 53 ARG N N 15 130.399 0.048 . 1 . . . . A 53 ARG N . 30310 1 606 . 1 1 54 54 GLU H H 1 8.511 0.003 . 1 . . . . A 54 GLU H . 30310 1 607 . 1 1 54 54 GLU HA H 1 4.166 0.012 . 1 . . . . A 54 GLU HA . 30310 1 608 . 1 1 54 54 GLU HB2 H 1 2.045 0.007 . 2 . . . . A 54 GLU HB2 . 30310 1 609 . 1 1 54 54 GLU HB3 H 1 1.944 0.002 . 2 . . . . A 54 GLU HB3 . 30310 1 610 . 1 1 54 54 GLU HG2 H 1 2.354 0.007 . 2 . . . . A 54 GLU HG2 . 30310 1 611 . 1 1 54 54 GLU HG3 H 1 2.262 0.004 . 2 . . . . A 54 GLU HG3 . 30310 1 612 . 1 1 54 54 GLU C C 13 176.256 0.000 . 1 . . . . A 54 GLU C . 30310 1 613 . 1 1 54 54 GLU CA C 13 58.463 0.014 . 1 . . . . A 54 GLU CA . 30310 1 614 . 1 1 54 54 GLU CB C 13 30.032 0.123 . 1 . . . . A 54 GLU CB . 30310 1 615 . 1 1 54 54 GLU CG C 13 37.332 0.006 . 1 . . . . A 54 GLU CG . 30310 1 616 . 1 1 54 54 GLU N N 15 117.141 0.022 . 1 . . . . A 54 GLU N . 30310 1 617 . 1 1 55 55 LEU H H 1 7.328 0.007 . 1 . . . . A 55 LEU H . 30310 1 618 . 1 1 55 55 LEU HA H 1 4.438 0.014 . 1 . . . . A 55 LEU HA . 30310 1 619 . 1 1 55 55 LEU HB2 H 1 1.527 0.012 . 2 . . . . A 55 LEU HB2 . 30310 1 620 . 1 1 55 55 LEU HB3 H 1 1.527 0.012 . 2 . . . . A 55 LEU HB3 . 30310 1 621 . 1 1 55 55 LEU HG H 1 1.513 0.000 . 1 . . . . A 55 LEU HG . 30310 1 622 . 1 1 55 55 LEU HD11 H 1 0.777 0.008 . 1 . . . . A 55 LEU HD11 . 30310 1 623 . 1 1 55 55 LEU HD12 H 1 0.777 0.008 . 1 . . . . A 55 LEU HD12 . 30310 1 624 . 1 1 55 55 LEU HD13 H 1 0.777 0.008 . 1 . . . . A 55 LEU HD13 . 30310 1 625 . 1 1 55 55 LEU HD21 H 1 0.785 0.007 . 1 . . . . A 55 LEU HD21 . 30310 1 626 . 1 1 55 55 LEU HD22 H 1 0.785 0.007 . 1 . . . . A 55 LEU HD22 . 30310 1 627 . 1 1 55 55 LEU HD23 H 1 0.785 0.007 . 1 . . . . A 55 LEU HD23 . 30310 1 628 . 1 1 55 55 LEU C C 13 175.388 0.000 . 1 . . . . A 55 LEU C . 30310 1 629 . 1 1 55 55 LEU CA C 13 54.347 0.023 . 1 . . . . A 55 LEU CA . 30310 1 630 . 1 1 55 55 LEU CB C 13 43.562 0.099 . 1 . . . . A 55 LEU CB . 30310 1 631 . 1 1 55 55 LEU CG C 13 27.421 0.000 . 1 . . . . A 55 LEU CG . 30310 1 632 . 1 1 55 55 LEU CD1 C 13 26.119 0.031 . 1 . . . . A 55 LEU CD1 . 30310 1 633 . 1 1 55 55 LEU CD2 C 13 24.307 0.039 . 1 . . . . A 55 LEU CD2 . 30310 1 634 . 1 1 55 55 LEU N N 15 118.521 0.025 . 1 . . . . A 55 LEU N . 30310 1 635 . 1 1 56 56 ARG H H 1 7.825 0.004 . 1 . . . . A 56 ARG H . 30310 1 636 . 1 1 56 56 ARG HA H 1 4.699 0.013 . 1 . . . . A 56 ARG HA . 30310 1 637 . 1 1 56 56 ARG HB2 H 1 1.945 0.005 . 2 . . . . A 56 ARG HB2 . 30310 1 638 . 1 1 56 56 ARG HB3 H 1 1.785 0.003 . 2 . . . . A 56 ARG HB3 . 30310 1 639 . 1 1 56 56 ARG HG2 H 1 1.712 0.000 . 2 . . . . A 56 ARG HG2 . 30310 1 640 . 1 1 56 56 ARG HG3 H 1 1.712 0.000 . 2 . . . . A 56 ARG HG3 . 30310 1 641 . 1 1 56 56 ARG HD2 H 1 3.243 0.008 . 2 . . . . A 56 ARG HD2 . 30310 1 642 . 1 1 56 56 ARG HD3 H 1 3.243 0.008 . 2 . . . . A 56 ARG HD3 . 30310 1 643 . 1 1 56 56 ARG HE H 1 7.740 0.002 . 1 . . . . A 56 ARG HE . 30310 1 644 . 1 1 56 56 ARG CA C 13 53.663 0.067 . 1 . . . . A 56 ARG CA . 30310 1 645 . 1 1 56 56 ARG CB C 13 30.622 0.008 . 1 . . . . A 56 ARG CB . 30310 1 646 . 1 1 56 56 ARG N N 15 120.441 0.027 . 1 . . . . A 56 ARG N . 30310 1 647 . 1 1 56 56 ARG NE N 15 84.85 0.033 . 1 . . . . A 56 ARG NE . 30310 1 648 . 1 1 57 57 PRO HA H 1 4.421 0.006 . 1 . . . . A 57 PRO HA . 30310 1 649 . 1 1 57 57 PRO HB2 H 1 2.335 0.007 . 2 . . . . A 57 PRO HB2 . 30310 1 650 . 1 1 57 57 PRO HB3 H 1 1.952 0.008 . 2 . . . . A 57 PRO HB3 . 30310 1 651 . 1 1 57 57 PRO HG2 H 1 2.057 0.004 . 2 . . . . A 57 PRO HG2 . 30310 1 652 . 1 1 57 57 PRO HG3 H 1 2.057 0.004 . 2 . . . . A 57 PRO HG3 . 30310 1 653 . 1 1 57 57 PRO HD2 H 1 3.726 0.004 . 2 . . . . A 57 PRO HD2 . 30310 1 654 . 1 1 57 57 PRO HD3 H 1 3.726 0.004 . 2 . . . . A 57 PRO HD3 . 30310 1 655 . 1 1 57 57 PRO C C 13 176.984 0.000 . 1 . . . . A 57 PRO C . 30310 1 656 . 1 1 57 57 PRO CA C 13 64.055 0.074 . 1 . . . . A 57 PRO CA . 30310 1 657 . 1 1 57 57 PRO CB C 13 32.157 0.084 . 1 . . . . A 57 PRO CB . 30310 1 658 . 1 1 57 57 PRO CG C 13 27.528 0.048 . 1 . . . . A 57 PRO CG . 30310 1 659 . 1 1 57 57 PRO CD C 13 50.792 0.025 . 1 . . . . A 57 PRO CD . 30310 1 660 . 1 1 58 58 ASP H H 1 8.566 0.006 . 1 . . . . A 58 ASP H . 30310 1 661 . 1 1 58 58 ASP HA H 1 4.507 0.005 . 1 . . . . A 58 ASP HA . 30310 1 662 . 1 1 58 58 ASP HB2 H 1 2.658 0.007 . 2 . . . . A 58 ASP HB2 . 30310 1 663 . 1 1 58 58 ASP HB3 H 1 2.658 0.007 . 2 . . . . A 58 ASP HB3 . 30310 1 664 . 1 1 58 58 ASP C C 13 176.474 0.000 . 1 . . . . A 58 ASP C . 30310 1 665 . 1 1 58 58 ASP CA C 13 54.570 0.044 . 1 . . . . A 58 ASP CA . 30310 1 666 . 1 1 58 58 ASP CB C 13 40.510 0.053 . 1 . . . . A 58 ASP CB . 30310 1 667 . 1 1 58 58 ASP N N 15 118.460 0.019 . 1 . . . . A 58 ASP N . 30310 1 668 . 1 1 59 59 VAL H H 1 7.759 0.006 . 1 . . . . A 59 VAL H . 30310 1 669 . 1 1 59 59 VAL HA H 1 4.005 0.008 . 1 . . . . A 59 VAL HA . 30310 1 670 . 1 1 59 59 VAL HB H 1 1.971 0.007 . 1 . . . . A 59 VAL HB . 30310 1 671 . 1 1 59 59 VAL HG11 H 1 0.697 0.005 . 1 . . . . A 59 VAL HG11 . 30310 1 672 . 1 1 59 59 VAL HG12 H 1 0.697 0.005 . 1 . . . . A 59 VAL HG12 . 30310 1 673 . 1 1 59 59 VAL HG13 H 1 0.697 0.005 . 1 . . . . A 59 VAL HG13 . 30310 1 674 . 1 1 59 59 VAL HG21 H 1 0.784 0.006 . 1 . . . . A 59 VAL HG21 . 30310 1 675 . 1 1 59 59 VAL HG22 H 1 0.784 0.006 . 1 . . . . A 59 VAL HG22 . 30310 1 676 . 1 1 59 59 VAL HG23 H 1 0.784 0.006 . 1 . . . . A 59 VAL HG23 . 30310 1 677 . 1 1 59 59 VAL C C 13 176.167 0.000 . 1 . . . . A 59 VAL C . 30310 1 678 . 1 1 59 59 VAL CA C 13 62.861 0.032 . 1 . . . . A 59 VAL CA . 30310 1 679 . 1 1 59 59 VAL CB C 13 32.806 0.085 . 1 . . . . A 59 VAL CB . 30310 1 680 . 1 1 59 59 VAL CG1 C 13 21.150 0.034 . 1 . . . . A 59 VAL CG1 . 30310 1 681 . 1 1 59 59 VAL CG2 C 13 20.674 0.038 . 1 . . . . A 59 VAL CG2 . 30310 1 682 . 1 1 59 59 VAL N N 15 118.811 0.024 . 1 . . . . A 59 VAL N . 30310 1 683 . 1 1 60 60 PHE H H 1 8.185 0.006 . 1 . . . . A 60 PHE H . 30310 1 684 . 1 1 60 60 PHE HA H 1 4.566 0.011 . 1 . . . . A 60 PHE HA . 30310 1 685 . 1 1 60 60 PHE HB2 H 1 3.177 0.010 . 2 . . . . A 60 PHE HB2 . 30310 1 686 . 1 1 60 60 PHE HB3 H 1 2.987 0.005 . 2 . . . . A 60 PHE HB3 . 30310 1 687 . 1 1 60 60 PHE HD1 H 1 7.272 0.014 . 3 . . . . A 60 PHE HD1 . 30310 1 688 . 1 1 60 60 PHE HD2 H 1 7.272 0.014 . 3 . . . . A 60 PHE HD2 . 30310 1 689 . 1 1 60 60 PHE C C 13 176.441 0.000 . 1 . . . . A 60 PHE C . 30310 1 690 . 1 1 60 60 PHE CA C 13 58.456 0.036 . 1 . . . . A 60 PHE CA . 30310 1 691 . 1 1 60 60 PHE CB C 13 39.602 0.042 . 1 . . . . A 60 PHE CB . 30310 1 692 . 1 1 60 60 PHE N N 15 121.644 0.023 . 1 . . . . A 60 PHE N . 30310 1 693 . 1 1 61 61 GLY H H 1 8.278 0.004 . 1 . . . . A 61 GLY H . 30310 1 694 . 1 1 61 61 GLY HA2 H 1 3.892 0.004 . 2 . . . . A 61 GLY HA2 . 30310 1 695 . 1 1 61 61 GLY HA3 H 1 3.892 0.004 . 2 . . . . A 61 GLY HA3 . 30310 1 696 . 1 1 61 61 GLY C C 13 173.878 0.000 . 1 . . . . A 61 GLY C . 30310 1 697 . 1 1 61 61 GLY CA C 13 45.549 0.040 . 1 . . . . A 61 GLY CA . 30310 1 698 . 1 1 61 61 GLY N N 15 110.241 0.014 . 1 . . . . A 61 GLY N . 30310 1 699 . 1 1 62 62 ALA H H 1 8.106 0.002 . 1 . . . . A 62 ALA H . 30310 1 700 . 1 1 62 62 ALA HA H 1 4.288 0.009 . 1 . . . . A 62 ALA HA . 30310 1 701 . 1 1 62 62 ALA HB1 H 1 1.383 0.008 . 1 . . . . A 62 ALA HB1 . 30310 1 702 . 1 1 62 62 ALA HB2 H 1 1.383 0.008 . 1 . . . . A 62 ALA HB2 . 30310 1 703 . 1 1 62 62 ALA HB3 H 1 1.383 0.008 . 1 . . . . A 62 ALA HB3 . 30310 1 704 . 1 1 62 62 ALA C C 13 177.838 0.000 . 1 . . . . A 62 ALA C . 30310 1 705 . 1 1 62 62 ALA CA C 13 52.693 0.045 . 1 . . . . A 62 ALA CA . 30310 1 706 . 1 1 62 62 ALA CB C 13 19.363 0.057 . 1 . . . . A 62 ALA CB . 30310 1 707 . 1 1 62 62 ALA N N 15 123.447 0.032 . 1 . . . . A 62 ALA N . 30310 1 stop_ save_