################################### # 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 15173 _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 '2D 1H-15N HSQC' . . . 15173 1 2 '3D CBCA(CO)NH' . . . 15173 1 3 '3D HNCACB' . . . 15173 1 4 '3D HNCO' . . . 15173 1 5 '3D HCCH-TOCSY' . . . 15173 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 1 1 THR H H 1 8.196 0.000 . 1 . . . . 1 THR H . 15173 1 2 . 1 1 1 1 THR HB H 1 4.146 0.000 . 1 . . . . 1 THR HB . 15173 1 3 . 1 1 1 1 THR HG21 H 1 1.098 0.000 . 1 . . . . 1 THR HG2 . 15173 1 4 . 1 1 1 1 THR HG22 H 1 1.098 0.000 . 1 . . . . 1 THR HG2 . 15173 1 5 . 1 1 1 1 THR HG23 H 1 1.098 0.000 . 1 . . . . 1 THR HG2 . 15173 1 6 . 1 1 1 1 THR C C 13 174.378 0.000 . 1 . . . . 1 THR C . 15173 1 7 . 1 1 1 1 THR CA C 13 61.891 0.000 . 1 . . . . 1 THR CA . 15173 1 8 . 1 1 1 1 THR CB C 13 69.856 0.000 . 1 . . . . 1 THR CB . 15173 1 9 . 1 1 1 1 THR CG2 C 13 21.581 0.000 . 1 . . . . 1 THR CG2 . 15173 1 10 . 1 1 1 1 THR N N 15 123.488 0.000 . 1 . . . . 1 THR N . 15173 1 11 . 1 1 2 2 ILE H H 1 8.155 0.012 . 1 . . . . 2 ILE H . 15173 1 12 . 1 1 2 2 ILE HA H 1 4.175 0.005 . 1 . . . . 2 ILE HA . 15173 1 13 . 1 1 2 2 ILE HB H 1 1.758 0.004 . 1 . . . . 2 ILE HB . 15173 1 14 . 1 1 2 2 ILE HG12 H 1 1.090 0.005 . 2 . . . . 2 ILE HG12 . 15173 1 15 . 1 1 2 2 ILE HG13 H 1 1.356 0.006 . 2 . . . . 2 ILE HG13 . 15173 1 16 . 1 1 2 2 ILE HG21 H 1 0.791 0.007 . 1 . . . . 2 ILE HG2 . 15173 1 17 . 1 1 2 2 ILE HG22 H 1 0.791 0.007 . 1 . . . . 2 ILE HG2 . 15173 1 18 . 1 1 2 2 ILE HG23 H 1 0.791 0.007 . 1 . . . . 2 ILE HG2 . 15173 1 19 . 1 1 2 2 ILE HD11 H 1 0.652 0.006 . 1 . . . . 2 ILE HD1 . 15173 1 20 . 1 1 2 2 ILE HD12 H 1 0.652 0.006 . 1 . . . . 2 ILE HD1 . 15173 1 21 . 1 1 2 2 ILE HD13 H 1 0.652 0.006 . 1 . . . . 2 ILE HD1 . 15173 1 22 . 1 1 2 2 ILE CA C 13 61.179 0.031 . 1 . . . . 2 ILE CA . 15173 1 23 . 1 1 2 2 ILE CB C 13 38.939 0.000 . 1 . . . . 2 ILE CB . 15173 1 24 . 1 1 2 2 ILE CG1 C 13 27.190 0.072 . 1 . . . . 2 ILE CG1 . 15173 1 25 . 1 1 2 2 ILE CG2 C 13 17.540 0.000 . 1 . . . . 2 ILE CG2 . 15173 1 26 . 1 1 2 2 ILE CD1 C 13 13.055 0.000 . 1 . . . . 2 ILE CD1 . 15173 1 27 . 1 1 2 2 ILE N N 15 122.576 0.008 . 1 . . . . 2 ILE N . 15173 1 28 . 1 1 3 3 SER H H 1 8.213 0.013 . 1 . . . . 3 SER H . 15173 1 29 . 1 1 3 3 SER HA H 1 4.466 0.008 . 1 . . . . 3 SER HA . 15173 1 30 . 1 1 3 3 SER HB2 H 1 3.916 0.009 . 2 . . . . 3 SER HB2 . 15173 1 31 . 1 1 3 3 SER CA C 13 58.101 0.023 . 1 . . . . 3 SER CA . 15173 1 32 . 1 1 3 3 SER CB C 13 64.231 0.053 . 1 . . . . 3 SER CB . 15173 1 33 . 1 1 3 3 SER N N 15 119.255 0.030 . 1 . . . . 3 SER N . 15173 1 34 . 1 1 4 4 ASN H H 1 8.234 0.008 . 1 . . . . 4 ASN H . 15173 1 35 . 1 1 4 4 ASN HA H 1 4.820 0.004 . 1 . . . . 4 ASN HA . 15173 1 36 . 1 1 4 4 ASN HB2 H 1 2.423 0.006 . 2 . . . . 4 ASN HB2 . 15173 1 37 . 1 1 4 4 ASN HB3 H 1 2.553 0.004 . 2 . . . . 4 ASN HB3 . 15173 1 38 . 1 1 4 4 ASN CA C 13 51.057 0.081 . 1 . . . . 4 ASN CA . 15173 1 39 . 1 1 4 4 ASN CB C 13 38.861 0.057 . 1 . . . . 4 ASN CB . 15173 1 40 . 1 1 4 4 ASN N N 15 120.881 0.201 . 1 . . . . 4 ASN N . 15173 1 41 . 1 1 5 5 PRO HA H 1 2.443 0.007 . 1 . . . . 5 PRO HA . 15173 1 42 . 1 1 5 5 PRO HB2 H 1 0.964 0.010 . 2 . . . . 5 PRO HB2 . 15173 1 43 . 1 1 5 5 PRO HB3 H 1 1.083 0.008 . 2 . . . . 5 PRO HB3 . 15173 1 44 . 1 1 5 5 PRO HG2 H 1 0.719 0.006 . 2 . . . . 5 PRO HG2 . 15173 1 45 . 1 1 5 5 PRO HG3 H 1 0.487 0.011 . 2 . . . . 5 PRO HG3 . 15173 1 46 . 1 1 5 5 PRO HD2 H 1 2.889 0.005 . 2 . . . . 5 PRO HD2 . 15173 1 47 . 1 1 5 5 PRO HD3 H 1 3.007 0.006 . 2 . . . . 5 PRO HD3 . 15173 1 48 . 1 1 5 5 PRO CA C 13 60.461 0.098 . 1 . . . . 5 PRO CA . 15173 1 49 . 1 1 5 5 PRO CB C 13 29.737 0.040 . 1 . . . . 5 PRO CB . 15173 1 50 . 1 1 5 5 PRO CG C 13 25.829 0.040 . 1 . . . . 5 PRO CG . 15173 1 51 . 1 1 5 5 PRO CD C 13 49.718 0.017 . 1 . . . . 5 PRO CD . 15173 1 52 . 1 1 6 6 PRO HA H 1 4.478 0.004 . 1 . . . . 6 PRO HA . 15173 1 53 . 1 1 6 6 PRO HB2 H 1 1.805 0.005 . 2 . . . . 6 PRO HB2 . 15173 1 54 . 1 1 6 6 PRO HB3 H 1 2.103 0.007 . 2 . . . . 6 PRO HB3 . 15173 1 55 . 1 1 6 6 PRO HG2 H 1 1.802 0.003 . 2 . . . . 6 PRO HG2 . 15173 1 56 . 1 1 6 6 PRO HG3 H 1 1.923 0.010 . 2 . . . . 6 PRO HG3 . 15173 1 57 . 1 1 6 6 PRO HD2 H 1 2.978 0.009 . 2 . . . . 6 PRO HD2 . 15173 1 58 . 1 1 6 6 PRO HD3 H 1 3.043 0.008 . 2 . . . . 6 PRO HD3 . 15173 1 59 . 1 1 6 6 PRO CA C 13 61.284 0.049 . 1 . . . . 6 PRO CA . 15173 1 60 . 1 1 6 6 PRO CB C 13 30.777 0.026 . 1 . . . . 6 PRO CB . 15173 1 61 . 1 1 6 6 PRO CG C 13 27.974 0.036 . 1 . . . . 6 PRO CG . 15173 1 62 . 1 1 6 6 PRO CD C 13 50.496 0.037 . 1 . . . . 6 PRO CD . 15173 1 63 . 1 1 7 7 PRO HA H 1 4.333 0.004 . 1 . . . . 7 PRO HA . 15173 1 64 . 1 1 7 7 PRO HB2 H 1 1.653 0.007 . 2 . . . . 7 PRO HB2 . 15173 1 65 . 1 1 7 7 PRO HB3 H 1 2.291 0.006 . 2 . . . . 7 PRO HB3 . 15173 1 66 . 1 1 7 7 PRO HG2 H 1 1.919 0.003 . 2 . . . . 7 PRO HG2 . 15173 1 67 . 1 1 7 7 PRO HG3 H 1 1.968 0.003 . 2 . . . . 7 PRO HG3 . 15173 1 68 . 1 1 7 7 PRO HD2 H 1 3.333 0.006 . 2 . . . . 7 PRO HD2 . 15173 1 69 . 1 1 7 7 PRO HD3 H 1 3.627 0.004 . 2 . . . . 7 PRO HD3 . 15173 1 70 . 1 1 7 7 PRO C C 13 177.814 0.000 . 1 . . . . 7 PRO C . 15173 1 71 . 1 1 7 7 PRO CA C 13 63.140 0.047 . 1 . . . . 7 PRO CA . 15173 1 72 . 1 1 7 7 PRO CB C 13 32.132 0.063 . 1 . . . . 7 PRO CB . 15173 1 73 . 1 1 7 7 PRO CG C 13 27.672 0.052 . 1 . . . . 7 PRO CG . 15173 1 74 . 1 1 7 7 PRO CD C 13 49.791 0.052 . 1 . . . . 7 PRO CD . 15173 1 75 . 1 1 8 8 LEU H H 1 8.541 0.011 . 1 . . . . 8 LEU H . 15173 1 76 . 1 1 8 8 LEU HA H 1 4.757 0.005 . 1 . . . . 8 LEU HA . 15173 1 77 . 1 1 8 8 LEU HB2 H 1 1.384 0.007 . 2 . . . . 8 LEU HB2 . 15173 1 78 . 1 1 8 8 LEU HB3 H 1 1.640 0.013 . 2 . . . . 8 LEU HB3 . 15173 1 79 . 1 1 8 8 LEU HG H 1 1.624 0.008 . 1 . . . . 8 LEU HG . 15173 1 80 . 1 1 8 8 LEU HD11 H 1 0.561 0.008 . 2 . . . . 8 LEU HD1 . 15173 1 81 . 1 1 8 8 LEU HD12 H 1 0.561 0.008 . 2 . . . . 8 LEU HD1 . 15173 1 82 . 1 1 8 8 LEU HD13 H 1 0.561 0.008 . 2 . . . . 8 LEU HD1 . 15173 1 83 . 1 1 8 8 LEU C C 13 177.341 0.000 . 1 . . . . 8 LEU C . 15173 1 84 . 1 1 8 8 LEU CA C 13 54.200 0.038 . 1 . . . . 8 LEU CA . 15173 1 85 . 1 1 8 8 LEU CB C 13 42.843 0.103 . 1 . . . . 8 LEU CB . 15173 1 86 . 1 1 8 8 LEU CG C 13 26.254 0.024 . 1 . . . . 8 LEU CG . 15173 1 87 . 1 1 8 8 LEU CD1 C 13 23.864 0.059 . 2 . . . . 8 LEU CD1 . 15173 1 88 . 1 1 8 8 LEU N N 15 123.966 0.013 . 1 . . . . 8 LEU N . 15173 1 89 . 1 1 9 9 ILE H H 1 9.136 0.012 . 1 . . . . 9 ILE H . 15173 1 90 . 1 1 9 9 ILE HA H 1 4.467 0.004 . 1 . . . . 9 ILE HA . 15173 1 91 . 1 1 9 9 ILE HB H 1 1.763 0.007 . 1 . . . . 9 ILE HB . 15173 1 92 . 1 1 9 9 ILE HG12 H 1 0.981 0.010 . 2 . . . . 9 ILE HG12 . 15173 1 93 . 1 1 9 9 ILE HG13 H 1 1.351 0.005 . 2 . . . . 9 ILE HG13 . 15173 1 94 . 1 1 9 9 ILE HG21 H 1 0.856 0.005 . 1 . . . . 9 ILE HG2 . 15173 1 95 . 1 1 9 9 ILE HG22 H 1 0.856 0.005 . 1 . . . . 9 ILE HG2 . 15173 1 96 . 1 1 9 9 ILE HG23 H 1 0.856 0.005 . 1 . . . . 9 ILE HG2 . 15173 1 97 . 1 1 9 9 ILE HD11 H 1 0.764 0.007 . 1 . . . . 9 ILE HD1 . 15173 1 98 . 1 1 9 9 ILE HD12 H 1 0.764 0.007 . 1 . . . . 9 ILE HD1 . 15173 1 99 . 1 1 9 9 ILE HD13 H 1 0.764 0.007 . 1 . . . . 9 ILE HD1 . 15173 1 100 . 1 1 9 9 ILE C C 13 175.773 0.000 . 1 . . . . 9 ILE C . 15173 1 101 . 1 1 9 9 ILE CA C 13 59.832 0.056 . 1 . . . . 9 ILE CA . 15173 1 102 . 1 1 9 9 ILE CB C 13 40.989 0.090 . 1 . . . . 9 ILE CB . 15173 1 103 . 1 1 9 9 ILE CG1 C 13 26.715 0.047 . 1 . . . . 9 ILE CG1 . 15173 1 104 . 1 1 9 9 ILE CG2 C 13 17.583 0.101 . 1 . . . . 9 ILE CG2 . 15173 1 105 . 1 1 9 9 ILE CD1 C 13 13.244 0.049 . 1 . . . . 9 ILE CD1 . 15173 1 106 . 1 1 9 9 ILE N N 15 120.380 0.033 . 1 . . . . 9 ILE N . 15173 1 107 . 1 1 10 10 SER H H 1 8.591 0.009 . 1 . . . . 10 SER H . 15173 1 108 . 1 1 10 10 SER HA H 1 4.673 0.004 . 1 . . . . 10 SER HA . 15173 1 109 . 1 1 10 10 SER HB2 H 1 3.869 0.005 . 2 . . . . 10 SER HB2 . 15173 1 110 . 1 1 10 10 SER C C 13 175.261 0.000 . 1 . . . . 10 SER C . 15173 1 111 . 1 1 10 10 SER CA C 13 58.606 0.043 . 1 . . . . 10 SER CA . 15173 1 112 . 1 1 10 10 SER CB C 13 63.810 0.062 . 1 . . . . 10 SER CB . 15173 1 113 . 1 1 10 10 SER N N 15 120.684 0.014 . 1 . . . . 10 SER N . 15173 1 114 . 1 1 11 11 SER H H 1 8.402 0.013 . 1 . . . . 11 SER H . 15173 1 115 . 1 1 11 11 SER HA H 1 4.362 0.004 . 1 . . . . 11 SER HA . 15173 1 116 . 1 1 11 11 SER HB2 H 1 3.723 0.005 . 2 . . . . 11 SER HB2 . 15173 1 117 . 1 1 11 11 SER C C 13 174.158 0.000 . 1 . . . . 11 SER C . 15173 1 118 . 1 1 11 11 SER CA C 13 58.502 0.041 . 1 . . . . 11 SER CA . 15173 1 119 . 1 1 11 11 SER CB C 13 63.766 0.023 . 1 . . . . 11 SER CB . 15173 1 120 . 1 1 11 11 SER N N 15 120.046 0.018 . 1 . . . . 11 SER N . 15173 1 121 . 1 1 12 12 ALA H H 1 8.324 0.012 . 1 . . . . 12 ALA H . 15173 1 122 . 1 1 12 12 ALA HA H 1 4.287 0.012 . 1 . . . . 12 ALA HA . 15173 1 123 . 1 1 12 12 ALA HB1 H 1 1.353 0.012 . 1 . . . . 12 ALA HB . 15173 1 124 . 1 1 12 12 ALA HB2 H 1 1.353 0.012 . 1 . . . . 12 ALA HB . 15173 1 125 . 1 1 12 12 ALA HB3 H 1 1.353 0.012 . 1 . . . . 12 ALA HB . 15173 1 126 . 1 1 12 12 ALA C C 13 177.736 0.000 . 1 . . . . 12 ALA C . 15173 1 127 . 1 1 12 12 ALA CA C 13 52.692 0.109 . 1 . . . . 12 ALA CA . 15173 1 128 . 1 1 12 12 ALA CB C 13 19.280 0.061 . 1 . . . . 12 ALA CB . 15173 1 129 . 1 1 12 12 ALA N N 15 125.941 0.018 . 1 . . . . 12 ALA N . 15173 1 130 . 1 1 13 13 LYS H H 1 8.150 0.013 . 1 . . . . 13 LYS H . 15173 1 131 . 1 1 13 13 LYS HA H 1 4.200 0.004 . 1 . . . . 13 LYS HA . 15173 1 132 . 1 1 13 13 LYS HB2 H 1 1.727 0.001 . 2 . . . . 13 LYS HB2 . 15173 1 133 . 1 1 13 13 LYS HB3 H 1 1.801 0.004 . 2 . . . . 13 LYS HB3 . 15173 1 134 . 1 1 13 13 LYS HG2 H 1 1.388 0.005 . 2 . . . . 13 LYS HG2 . 15173 1 135 . 1 1 13 13 LYS HD2 H 1 1.636 0.006 . 2 . . . . 13 LYS HD2 . 15173 1 136 . 1 1 13 13 LYS CA C 13 56.805 0.095 . 1 . . . . 13 LYS CA . 15173 1 137 . 1 1 13 13 LYS CB C 13 33.030 0.047 . 1 . . . . 13 LYS CB . 15173 1 138 . 1 1 13 13 LYS CG C 13 24.712 0.058 . 1 . . . . 13 LYS CG . 15173 1 139 . 1 1 13 13 LYS CD C 13 29.052 0.000 . 1 . . . . 13 LYS CD . 15173 1 140 . 1 1 13 13 LYS CE C 13 42.229 0.064 . 1 . . . . 13 LYS CE . 15173 1 141 . 1 1 13 13 LYS N N 15 120.128 0.013 . 1 . . . . 13 LYS N . 15173 1 142 . 1 1 14 14 GLU H H 1 8.341 0.015 . 1 . . . . 14 GLU H . 15173 1 143 . 1 1 14 14 GLU CA C 13 56.953 0.000 . 1 . . . . 14 GLU CA . 15173 1 144 . 1 1 14 14 GLU CB C 13 30.044 0.000 . 1 . . . . 14 GLU CB . 15173 1 145 . 1 1 14 14 GLU CG C 13 36.359 0.000 . 1 . . . . 14 GLU CG . 15173 1 146 . 1 1 14 14 GLU N N 15 120.460 0.010 . 1 . . . . 14 GLU N . 15173 1 147 . 1 1 15 15 ASN H H 1 8.271 0.006 . 1 . . . . 15 ASN H . 15173 1 148 . 1 1 15 15 ASN HA H 1 4.604 0.003 . 1 . . . . 15 ASN HA . 15173 1 149 . 1 1 15 15 ASN HB2 H 1 2.703 0.006 . 2 . . . . 15 ASN HB2 . 15173 1 150 . 1 1 15 15 ASN HB3 H 1 2.783 0.008 . 2 . . . . 15 ASN HB3 . 15173 1 151 . 1 1 15 15 ASN CA C 13 53.367 0.036 . 1 . . . . 15 ASN CA . 15173 1 152 . 1 1 15 15 ASN CB C 13 38.802 0.040 . 1 . . . . 15 ASN CB . 15173 1 153 . 1 1 15 15 ASN N N 15 118.746 0.099 . 1 . . . . 15 ASN N . 15173 1 154 . 1 1 16 16 LEU H H 1 7.999 0.015 . 1 . . . . 16 LEU H . 15173 1 155 . 1 1 16 16 LEU HA H 1 4.156 0.003 . 1 . . . . 16 LEU HA . 15173 1 156 . 1 1 16 16 LEU HB2 H 1 1.290 0.003 . 2 . . . . 16 LEU HB2 . 15173 1 157 . 1 1 16 16 LEU HB3 H 1 1.413 0.003 . 2 . . . . 16 LEU HB3 . 15173 1 158 . 1 1 16 16 LEU HG H 1 1.401 0.005 . 1 . . . . 16 LEU HG . 15173 1 159 . 1 1 16 16 LEU HD11 H 1 0.758 0.002 . 2 . . . . 16 LEU HD1 . 15173 1 160 . 1 1 16 16 LEU HD12 H 1 0.758 0.002 . 2 . . . . 16 LEU HD1 . 15173 1 161 . 1 1 16 16 LEU HD13 H 1 0.758 0.002 . 2 . . . . 16 LEU HD1 . 15173 1 162 . 1 1 16 16 LEU HD21 H 1 0.821 0.004 . 2 . . . . 16 LEU HD2 . 15173 1 163 . 1 1 16 16 LEU HD22 H 1 0.821 0.004 . 2 . . . . 16 LEU HD2 . 15173 1 164 . 1 1 16 16 LEU HD23 H 1 0.821 0.004 . 2 . . . . 16 LEU HD2 . 15173 1 165 . 1 1 16 16 LEU CA C 13 55.862 0.189 . 1 . . . . 16 LEU CA . 15173 1 166 . 1 1 16 16 LEU CB C 13 42.298 0.030 . 1 . . . . 16 LEU CB . 15173 1 167 . 1 1 16 16 LEU CG C 13 27.108 0.017 . 1 . . . . 16 LEU CG . 15173 1 168 . 1 1 16 16 LEU CD1 C 13 23.464 0.040 . 1 . . . . 16 LEU CD1 . 15173 1 169 . 1 1 16 16 LEU CD2 C 13 24.919 0.008 . 1 . . . . 16 LEU CD2 . 15173 1 170 . 1 1 16 16 LEU N N 15 121.789 0.016 . 1 . . . . 16 LEU N . 15173 1 171 . 1 1 17 17 TYR H H 1 7.962 0.013 . 1 . . . . 17 TYR H . 15173 1 172 . 1 1 17 17 TYR HA H 1 4.482 0.006 . 1 . . . . 17 TYR HA . 15173 1 173 . 1 1 17 17 TYR HB2 H 1 2.824 0.004 . 2 . . . . 17 TYR HB2 . 15173 1 174 . 1 1 17 17 TYR HB3 H 1 2.968 0.004 . 2 . . . . 17 TYR HB3 . 15173 1 175 . 1 1 17 17 TYR HD2 H 1 7.008 0.001 . 3 . . . . 17 TYR HD2 . 15173 1 176 . 1 1 17 17 TYR HE2 H 1 6.768 0.000 . 3 . . . . 17 TYR HE2 . 15173 1 177 . 1 1 17 17 TYR CA C 13 57.854 0.044 . 1 . . . . 17 TYR CA . 15173 1 178 . 1 1 17 17 TYR CB C 13 38.573 0.042 . 1 . . . . 17 TYR CB . 15173 1 179 . 1 1 17 17 TYR CD2 C 13 130.772 0.003 . 3 . . . . 17 TYR CD2 . 15173 1 180 . 1 1 17 17 TYR N N 15 119.015 0.019 . 1 . . . . 17 TYR N . 15173 1 181 . 1 1 18 18 PHE H H 1 7.932 0.015 . 1 . . . . 18 PHE H . 15173 1 182 . 1 1 18 18 PHE HA H 1 4.541 0.001 . 1 . . . . 18 PHE HA . 15173 1 183 . 1 1 18 18 PHE HB2 H 1 3.026 0.002 . 2 . . . . 18 PHE HB2 . 15173 1 184 . 1 1 18 18 PHE HD1 H 1 7.201 0.000 . 3 . . . . 18 PHE HD1 . 15173 1 185 . 1 1 18 18 PHE CA C 13 57.756 0.042 . 1 . . . . 18 PHE CA . 15173 1 186 . 1 1 18 18 PHE CB C 13 39.620 0.000 . 1 . . . . 18 PHE CB . 15173 1 187 . 1 1 18 18 PHE N N 15 121.009 0.012 . 1 . . . . 18 PHE N . 15173 1 188 . 1 1 19 19 GLN H H 1 8.246 0.014 . 1 . . . . 19 GLN H . 15173 1 189 . 1 1 19 19 GLN HA H 1 4.248 0.000 . 1 . . . . 19 GLN HA . 15173 1 190 . 1 1 19 19 GLN HB2 H 1 2.237 0.000 . 2 . . . . 19 GLN HB2 . 15173 1 191 . 1 1 19 19 GLN CA C 13 55.820 0.000 . 1 . . . . 19 GLN CA . 15173 1 192 . 1 1 19 19 GLN CB C 13 29.538 0.000 . 1 . . . . 19 GLN CB . 15173 1 193 . 1 1 19 19 GLN CG C 13 33.963 0.000 . 1 . . . . 19 GLN CG . 15173 1 194 . 1 1 19 19 GLN N N 15 122.169 0.006 . 1 . . . . 19 GLN N . 15173 1 195 . 1 1 20 20 GLY H H 1 7.787 0.017 . 1 . . . . 20 GLY H . 15173 1 196 . 1 1 20 20 GLY HA2 H 1 3.836 0.007 . 2 . . . . 20 GLY HA2 . 15173 1 197 . 1 1 20 20 GLY HA3 H 1 3.916 0.004 . 2 . . . . 20 GLY HA3 . 15173 1 198 . 1 1 20 20 GLY CA C 13 45.389 0.063 . 1 . . . . 20 GLY CA . 15173 1 199 . 1 1 20 20 GLY N N 15 109.245 0.017 . 1 . . . . 20 GLY N . 15173 1 200 . 1 1 21 21 ASP H H 1 8.230 0.016 . 1 . . . . 21 ASP H . 15173 1 201 . 1 1 21 21 ASP HA H 1 4.614 0.001 . 1 . . . . 21 ASP HA . 15173 1 202 . 1 1 21 21 ASP HB2 H 1 2.661 0.004 . 2 . . . . 21 ASP HB2 . 15173 1 203 . 1 1 21 21 ASP CA C 13 54.509 0.091 . 1 . . . . 21 ASP CA . 15173 1 204 . 1 1 21 21 ASP CB C 13 41.554 0.018 . 1 . . . . 21 ASP CB . 15173 1 205 . 1 1 21 21 ASP N N 15 120.590 0.085 . 1 . . . . 21 ASP N . 15173 1 206 . 1 1 22 22 SER H H 1 8.341 0.015 . 1 . . . . 22 SER H . 15173 1 207 . 1 1 22 22 SER HA H 1 4.425 0.000 . 1 . . . . 22 SER HA . 15173 1 208 . 1 1 22 22 SER HB2 H 1 3.853 0.010 . 2 . . . . 22 SER HB2 . 15173 1 209 . 1 1 22 22 SER CA C 13 58.707 0.000 . 1 . . . . 22 SER CA . 15173 1 210 . 1 1 22 22 SER CB C 13 63.730 0.000 . 1 . . . . 22 SER CB . 15173 1 211 . 1 1 22 22 SER N N 15 116.609 0.018 . 1 . . . . 22 SER N . 15173 1 212 . 1 1 23 23 SER H H 1 8.378 0.017 . 1 . . . . 23 SER H . 15173 1 213 . 1 1 23 23 SER HA H 1 4.430 0.007 . 1 . . . . 23 SER HA . 15173 1 214 . 1 1 23 23 SER HB2 H 1 3.829 0.000 . 2 . . . . 23 SER HB2 . 15173 1 215 . 1 1 23 23 SER HB3 H 1 3.899 0.000 . 2 . . . . 23 SER HB3 . 15173 1 216 . 1 1 23 23 SER C C 13 174.702 0.000 . 1 . . . . 23 SER C . 15173 1 217 . 1 1 23 23 SER CA C 13 58.932 0.116 . 1 . . . . 23 SER CA . 15173 1 218 . 1 1 23 23 SER CB C 13 63.857 0.000 . 1 . . . . 23 SER CB . 15173 1 219 . 1 1 23 23 SER N N 15 117.654 0.013 . 1 . . . . 23 SER N . 15173 1 220 . 1 1 24 24 GLU H H 1 8.240 0.014 . 1 . . . . 24 GLU H . 15173 1 221 . 1 1 24 24 GLU HA H 1 4.420 0.004 . 1 . . . . 24 GLU HA . 15173 1 222 . 1 1 24 24 GLU HB2 H 1 1.910 0.005 . 2 . . . . 24 GLU HB2 . 15173 1 223 . 1 1 24 24 GLU HB3 H 1 2.186 0.020 . 2 . . . . 24 GLU HB3 . 15173 1 224 . 1 1 24 24 GLU HG2 H 1 2.252 0.005 . 2 . . . . 24 GLU HG2 . 15173 1 225 . 1 1 24 24 GLU C C 13 175.660 0.000 . 1 . . . . 24 GLU C . 15173 1 226 . 1 1 24 24 GLU CA C 13 56.082 0.029 . 1 . . . . 24 GLU CA . 15173 1 227 . 1 1 24 24 GLU CB C 13 30.721 0.000 . 1 . . . . 24 GLU CB . 15173 1 228 . 1 1 24 24 GLU CG C 13 36.278 0.030 . 1 . . . . 24 GLU CG . 15173 1 229 . 1 1 24 24 GLU N N 15 121.580 0.019 . 1 . . . . 24 GLU N . 15173 1 230 . 1 1 25 25 SER H H 1 7.899 0.010 . 1 . . . . 25 SER H . 15173 1 231 . 1 1 25 25 SER HA H 1 4.497 0.006 . 1 . . . . 25 SER HA . 15173 1 232 . 1 1 25 25 SER HB2 H 1 3.571 0.006 . 2 . . . . 25 SER HB2 . 15173 1 233 . 1 1 25 25 SER C C 13 172.899 0.000 . 1 . . . . 25 SER C . 15173 1 234 . 1 1 25 25 SER CA C 13 57.938 0.028 . 1 . . . . 25 SER CA . 15173 1 235 . 1 1 25 25 SER CB C 13 64.951 0.066 . 1 . . . . 25 SER CB . 15173 1 236 . 1 1 25 25 SER N N 15 115.978 0.021 . 1 . . . . 25 SER N . 15173 1 237 . 1 1 26 26 CYS H H 1 9.519 0.009 . 1 . . . . 26 CYS H . 15173 1 238 . 1 1 26 26 CYS HA H 1 3.986 0.007 . 1 . . . . 26 CYS HA . 15173 1 239 . 1 1 26 26 CYS HB2 H 1 2.866 0.010 . 2 . . . . 26 CYS HB2 . 15173 1 240 . 1 1 26 26 CYS HB3 H 1 3.440 0.005 . 2 . . . . 26 CYS HB3 . 15173 1 241 . 1 1 26 26 CYS C C 13 178.206 0.000 . 1 . . . . 26 CYS C . 15173 1 242 . 1 1 26 26 CYS CA C 13 59.379 0.077 . 1 . . . . 26 CYS CA . 15173 1 243 . 1 1 26 26 CYS CB C 13 30.612 0.040 . 1 . . . . 26 CYS CB . 15173 1 244 . 1 1 26 26 CYS N N 15 123.555 0.021 . 1 . . . . 26 CYS N . 15173 1 245 . 1 1 27 27 TRP H H 1 9.756 0.011 . 1 . . . . 27 TRP H . 15173 1 246 . 1 1 27 27 TRP HA H 1 4.459 0.005 . 1 . . . . 27 TRP HA . 15173 1 247 . 1 1 27 27 TRP HB2 H 1 2.856 0.009 . 2 . . . . 27 TRP HB2 . 15173 1 248 . 1 1 27 27 TRP HB3 H 1 3.450 0.005 . 2 . . . . 27 TRP HB3 . 15173 1 249 . 1 1 27 27 TRP HD1 H 1 7.733 0.004 . 1 . . . . 27 TRP HD1 . 15173 1 250 . 1 1 27 27 TRP HE1 H 1 10.422 0.011 . 1 . . . . 27 TRP HE1 . 15173 1 251 . 1 1 27 27 TRP HE3 H 1 7.843 0.003 . 1 . . . . 27 TRP HE3 . 15173 1 252 . 1 1 27 27 TRP HZ2 H 1 7.389 0.003 . 1 . . . . 27 TRP HZ2 . 15173 1 253 . 1 1 27 27 TRP HZ3 H 1 7.293 0.005 . 1 . . . . 27 TRP HZ3 . 15173 1 254 . 1 1 27 27 TRP HH2 H 1 7.267 0.005 . 1 . . . . 27 TRP HH2 . 15173 1 255 . 1 1 27 27 TRP C C 13 175.698 0.000 . 1 . . . . 27 TRP C . 15173 1 256 . 1 1 27 27 TRP CA C 13 60.221 0.049 . 1 . . . . 27 TRP CA . 15173 1 257 . 1 1 27 27 TRP CB C 13 28.528 0.048 . 1 . . . . 27 TRP CB . 15173 1 258 . 1 1 27 27 TRP CD1 C 13 123.213 0.043 . 1 . . . . 27 TRP CD1 . 15173 1 259 . 1 1 27 27 TRP CE3 C 13 119.669 0.021 . 1 . . . . 27 TRP CE3 . 15173 1 260 . 1 1 27 27 TRP CZ2 C 13 112.5 0.012 . 1 . . . . 27 TRP CZ2 . 15173 1 261 . 1 1 27 27 TRP CZ3 C 13 119.669 0.016 . 1 . . . . 27 TRP CZ3 . 15173 1 262 . 1 1 27 27 TRP CH2 C 13 122.641 0.028 . 1 . . . . 27 TRP CH2 . 15173 1 263 . 1 1 27 27 TRP N N 15 133.291 0.042 . 1 . . . . 27 TRP N . 15173 1 264 . 1 1 27 27 TRP NE1 N 15 128.952 0.023 . 1 . . . . 27 TRP NE1 . 15173 1 265 . 1 1 28 28 ASN H H 1 9.591 0.011 . 1 . . . . 28 ASN H . 15173 1 266 . 1 1 28 28 ASN HA H 1 5.310 0.005 . 1 . . . . 28 ASN HA . 15173 1 267 . 1 1 28 28 ASN HB2 H 1 2.596 0.007 . 2 . . . . 28 ASN HB2 . 15173 1 268 . 1 1 28 28 ASN HB3 H 1 3.626 0.011 . 2 . . . . 28 ASN HB3 . 15173 1 269 . 1 1 28 28 ASN HD21 H 1 6.755 0.008 . 2 . . . . 28 ASN HD21 . 15173 1 270 . 1 1 28 28 ASN HD22 H 1 8.960 0.008 . 2 . . . . 28 ASN HD22 . 15173 1 271 . 1 1 28 28 ASN C C 13 175.093 0.000 . 1 . . . . 28 ASN C . 15173 1 272 . 1 1 28 28 ASN CA C 13 56.512 0.059 . 1 . . . . 28 ASN CA . 15173 1 273 . 1 1 28 28 ASN CB C 13 42.123 0.040 . 1 . . . . 28 ASN CB . 15173 1 274 . 1 1 28 28 ASN N N 15 118.744 0.017 . 1 . . . . 28 ASN N . 15173 1 275 . 1 1 28 28 ASN ND2 N 15 118.634 0.063 . 1 . . . . 28 ASN ND2 . 15173 1 276 . 1 1 29 29 CYS H H 1 8.364 0.015 . 1 . . . . 29 CYS H . 15173 1 277 . 1 1 29 29 CYS HA H 1 5.241 0.011 . 1 . . . . 29 CYS HA . 15173 1 278 . 1 1 29 29 CYS HB2 H 1 2.764 0.008 . 2 . . . . 29 CYS HB2 . 15173 1 279 . 1 1 29 29 CYS HB3 H 1 3.339 0.023 . 2 . . . . 29 CYS HB3 . 15173 1 280 . 1 1 29 29 CYS C C 13 176.343 0.000 . 1 . . . . 29 CYS C . 15173 1 281 . 1 1 29 29 CYS CA C 13 59.315 0.115 . 1 . . . . 29 CYS CA . 15173 1 282 . 1 1 29 29 CYS CB C 13 34.298 0.031 . 1 . . . . 29 CYS CB . 15173 1 283 . 1 1 29 29 CYS N N 15 115.759 0.041 . 1 . . . . 29 CYS N . 15173 1 284 . 1 1 30 30 GLY H H 1 8.237 0.015 . 1 . . . . 30 GLY H . 15173 1 285 . 1 1 30 30 GLY HA2 H 1 3.575 0.005 . 2 . . . . 30 GLY HA2 . 15173 1 286 . 1 1 30 30 GLY CA C 13 46.403 0.005 . 1 . . . . 30 GLY CA . 15173 1 287 . 1 1 30 30 GLY N N 15 112.882 0.018 . 1 . . . . 30 GLY N . 15173 1 288 . 1 1 31 31 ARG H H 1 8.285 0.032 . 1 . . . . 31 ARG H . 15173 1 289 . 1 1 31 31 ARG CA C 13 56.593 0.000 . 1 . . . . 31 ARG CA . 15173 1 290 . 1 1 31 31 ARG CB C 13 31.091 0.000 . 1 . . . . 31 ARG CB . 15173 1 291 . 1 1 31 31 ARG N N 15 122.185 0.033 . 1 . . . . 31 ARG N . 15173 1 292 . 1 1 32 32 LYS H H 1 8.229 0.008 . 1 . . . . 32 LYS H . 15173 1 293 . 1 1 32 32 LYS HA H 1 4.003 0.004 . 1 . . . . 32 LYS HA . 15173 1 294 . 1 1 32 32 LYS HG2 H 1 1.340 0.003 . 2 . . . . 32 LYS HG2 . 15173 1 295 . 1 1 32 32 LYS HG3 H 1 1.416 0.003 . 2 . . . . 32 LYS HG3 . 15173 1 296 . 1 1 32 32 LYS C C 13 176.041 0.000 . 1 . . . . 32 LYS C . 15173 1 297 . 1 1 32 32 LYS CA C 13 58.748 0.116 . 1 . . . . 32 LYS CA . 15173 1 298 . 1 1 32 32 LYS CB C 13 32.196 0.000 . 1 . . . . 32 LYS CB . 15173 1 299 . 1 1 32 32 LYS CG C 13 24.776 0.026 . 1 . . . . 32 LYS CG . 15173 1 300 . 1 1 32 32 LYS CD C 13 29.147 0.076 . 1 . . . . 32 LYS CD . 15173 1 301 . 1 1 32 32 LYS CE C 13 42.271 0.023 . 1 . . . . 32 LYS CE . 15173 1 302 . 1 1 32 32 LYS N N 15 120.869 0.155 . 1 . . . . 32 LYS N . 15173 1 303 . 1 1 33 33 ALA H H 1 8.358 0.009 . 1 . . . . 33 ALA H . 15173 1 304 . 1 1 33 33 ALA HA H 1 4.377 0.003 . 1 . . . . 33 ALA HA . 15173 1 305 . 1 1 33 33 ALA HB1 H 1 1.037 0.004 . 1 . . . . 33 ALA HB . 15173 1 306 . 1 1 33 33 ALA HB2 H 1 1.037 0.004 . 1 . . . . 33 ALA HB . 15173 1 307 . 1 1 33 33 ALA HB3 H 1 1.037 0.004 . 1 . . . . 33 ALA HB . 15173 1 308 . 1 1 33 33 ALA C C 13 176.614 0.000 . 1 . . . . 33 ALA C . 15173 1 309 . 1 1 33 33 ALA CA C 13 51.462 0.075 . 1 . . . . 33 ALA CA . 15173 1 310 . 1 1 33 33 ALA CB C 13 21.652 0.042 . 1 . . . . 33 ALA CB . 15173 1 311 . 1 1 33 33 ALA N N 15 126.096 0.021 . 1 . . . . 33 ALA N . 15173 1 312 . 1 1 34 34 SER H H 1 8.292 0.016 . 1 . . . . 34 SER H . 15173 1 313 . 1 1 34 34 SER HA H 1 4.569 0.007 . 1 . . . . 34 SER HA . 15173 1 314 . 1 1 34 34 SER HB2 H 1 3.755 0.010 . 2 . . . . 34 SER HB2 . 15173 1 315 . 1 1 34 34 SER HB3 H 1 4.005 0.006 . 2 . . . . 34 SER HB3 . 15173 1 316 . 1 1 34 34 SER C C 13 173.353 0.000 . 1 . . . . 34 SER C . 15173 1 317 . 1 1 34 34 SER CA C 13 58.205 0.022 . 1 . . . . 34 SER CA . 15173 1 318 . 1 1 34 34 SER CB C 13 64.837 0.030 . 1 . . . . 34 SER CB . 15173 1 319 . 1 1 34 34 SER N N 15 113.347 0.026 . 1 . . . . 34 SER N . 15173 1 320 . 1 1 35 35 GLU H H 1 7.802 0.013 . 1 . . . . 35 GLU H . 15173 1 321 . 1 1 35 35 GLU HA H 1 5.072 0.005 . 1 . . . . 35 GLU HA . 15173 1 322 . 1 1 35 35 GLU HB2 H 1 1.843 0.013 . 2 . . . . 35 GLU HB2 . 15173 1 323 . 1 1 35 35 GLU HB3 H 1 2.034 0.012 . 2 . . . . 35 GLU HB3 . 15173 1 324 . 1 1 35 35 GLU HG2 H 1 2.106 0.005 . 2 . . . . 35 GLU HG2 . 15173 1 325 . 1 1 35 35 GLU HG3 H 1 2.005 0.014 . 2 . . . . 35 GLU HG3 . 15173 1 326 . 1 1 35 35 GLU C C 13 175.870 0.000 . 1 . . . . 35 GLU C . 15173 1 327 . 1 1 35 35 GLU CA C 13 54.845 0.066 . 1 . . . . 35 GLU CA . 15173 1 328 . 1 1 35 35 GLU CB C 13 33.295 0.064 . 1 . . . . 35 GLU CB . 15173 1 329 . 1 1 35 35 GLU CG C 13 35.557 0.089 . 1 . . . . 35 GLU CG . 15173 1 330 . 1 1 35 35 GLU N N 15 120.556 0.033 . 1 . . . . 35 GLU N . 15173 1 331 . 1 1 36 36 THR H H 1 9.108 0.011 . 1 . . . . 36 THR H . 15173 1 332 . 1 1 36 36 THR HA H 1 4.893 0.006 . 1 . . . . 36 THR HA . 15173 1 333 . 1 1 36 36 THR HB H 1 3.610 0.006 . 1 . . . . 36 THR HB . 15173 1 334 . 1 1 36 36 THR HG21 H 1 0.893 0.005 . 1 . . . . 36 THR HG2 . 15173 1 335 . 1 1 36 36 THR HG22 H 1 0.893 0.005 . 1 . . . . 36 THR HG2 . 15173 1 336 . 1 1 36 36 THR HG23 H 1 0.893 0.005 . 1 . . . . 36 THR HG2 . 15173 1 337 . 1 1 36 36 THR C C 13 173.308 0.000 . 1 . . . . 36 THR C . 15173 1 338 . 1 1 36 36 THR CA C 13 60.973 0.076 . 1 . . . . 36 THR CA . 15173 1 339 . 1 1 36 36 THR CB C 13 71.682 0.068 . 1 . . . . 36 THR CB . 15173 1 340 . 1 1 36 36 THR CG2 C 13 20.997 0.088 . 1 . . . . 36 THR CG2 . 15173 1 341 . 1 1 36 36 THR N N 15 117.872 0.019 . 1 . . . . 36 THR N . 15173 1 342 . 1 1 37 37 CYS H H 1 8.374 0.011 . 1 . . . . 37 CYS H . 15173 1 343 . 1 1 37 37 CYS HA H 1 3.896 0.005 . 1 . . . . 37 CYS HA . 15173 1 344 . 1 1 37 37 CYS HB2 H 1 2.685 0.008 . 2 . . . . 37 CYS HB2 . 15173 1 345 . 1 1 37 37 CYS HB3 H 1 3.255 0.009 . 2 . . . . 37 CYS HB3 . 15173 1 346 . 1 1 37 37 CYS C C 13 176.530 0.000 . 1 . . . . 37 CYS C . 15173 1 347 . 1 1 37 37 CYS CA C 13 61.298 0.031 . 1 . . . . 37 CYS CA . 15173 1 348 . 1 1 37 37 CYS CB C 13 31.891 0.070 . 1 . . . . 37 CYS CB . 15173 1 349 . 1 1 37 37 CYS N N 15 127.410 0.023 . 1 . . . . 37 CYS N . 15173 1 350 . 1 1 38 38 SER H H 1 8.013 0.014 . 1 . . . . 38 SER H . 15173 1 351 . 1 1 38 38 SER HA H 1 4.216 0.005 . 1 . . . . 38 SER HA . 15173 1 352 . 1 1 38 38 SER HB2 H 1 3.791 0.015 . 2 . . . . 38 SER HB2 . 15173 1 353 . 1 1 38 38 SER HB3 H 1 4.032 0.006 . 2 . . . . 38 SER HB3 . 15173 1 354 . 1 1 38 38 SER HG H 1 6.378 0.008 . 1 . . . . 38 SER HG . 15173 1 355 . 1 1 38 38 SER C C 13 174.883 0.000 . 1 . . . . 38 SER C . 15173 1 356 . 1 1 38 38 SER CA C 13 60.657 0.067 . 1 . . . . 38 SER CA . 15173 1 357 . 1 1 38 38 SER CB C 13 63.437 0.056 . 1 . . . . 38 SER CB . 15173 1 358 . 1 1 38 38 SER N N 15 124.651 0.028 . 1 . . . . 38 SER N . 15173 1 359 . 1 1 39 39 GLY H H 1 9.026 0.013 . 1 . . . . 39 GLY H . 15173 1 360 . 1 1 39 39 GLY HA2 H 1 3.747 0.010 . 2 . . . . 39 GLY HA2 . 15173 1 361 . 1 1 39 39 GLY HA3 H 1 3.969 0.009 . 2 . . . . 39 GLY HA3 . 15173 1 362 . 1 1 39 39 GLY C C 13 174.352 0.000 . 1 . . . . 39 GLY C . 15173 1 363 . 1 1 39 39 GLY CA C 13 46.824 0.030 . 1 . . . . 39 GLY CA . 15173 1 364 . 1 1 39 39 GLY N N 15 114.247 0.020 . 1 . . . . 39 GLY N . 15173 1 365 . 1 1 40 40 CYS H H 1 7.056 0.013 . 1 . . . . 40 CYS H . 15173 1 366 . 1 1 40 40 CYS HA H 1 4.987 0.006 . 1 . . . . 40 CYS HA . 15173 1 367 . 1 1 40 40 CYS HB2 H 1 3.324 0.016 . 2 . . . . 40 CYS HB2 . 15173 1 368 . 1 1 40 40 CYS HB3 H 1 3.631 0.005 . 2 . . . . 40 CYS HB3 . 15173 1 369 . 1 1 40 40 CYS C C 13 176.875 0.000 . 1 . . . . 40 CYS C . 15173 1 370 . 1 1 40 40 CYS CA C 13 56.365 0.091 . 1 . . . . 40 CYS CA . 15173 1 371 . 1 1 40 40 CYS CB C 13 33.620 0.029 . 1 . . . . 40 CYS CB . 15173 1 372 . 1 1 40 40 CYS N N 15 112.795 0.032 . 1 . . . . 40 CYS N . 15173 1 373 . 1 1 41 41 ASN H H 1 8.749 0.011 . 1 . . . . 41 ASN H . 15173 1 374 . 1 1 41 41 ASN HA H 1 4.316 0.004 . 1 . . . . 41 ASN HA . 15173 1 375 . 1 1 41 41 ASN HB2 H 1 2.736 0.007 . 2 . . . . 41 ASN HB2 . 15173 1 376 . 1 1 41 41 ASN HB3 H 1 3.009 0.005 . 2 . . . . 41 ASN HB3 . 15173 1 377 . 1 1 41 41 ASN HD21 H 1 6.524 0.004 . 2 . . . . 41 ASN HD21 . 15173 1 378 . 1 1 41 41 ASN HD22 H 1 7.375 0.006 . 2 . . . . 41 ASN HD22 . 15173 1 379 . 1 1 41 41 ASN C C 13 173.563 0.000 . 1 . . . . 41 ASN C . 15173 1 380 . 1 1 41 41 ASN CA C 13 55.381 0.059 . 1 . . . . 41 ASN CA . 15173 1 381 . 1 1 41 41 ASN CB C 13 38.179 0.059 . 1 . . . . 41 ASN CB . 15173 1 382 . 1 1 41 41 ASN N N 15 123.888 0.030 . 1 . . . . 41 ASN N . 15173 1 383 . 1 1 41 41 ASN ND2 N 15 111.517 0.013 . 1 . . . . 41 ASN ND2 . 15173 1 384 . 1 1 42 42 THR H H 1 7.934 0.013 . 1 . . . . 42 THR H . 15173 1 385 . 1 1 42 42 THR HA H 1 4.301 0.005 . 1 . . . . 42 THR HA . 15173 1 386 . 1 1 42 42 THR HB H 1 4.195 0.005 . 1 . . . . 42 THR HB . 15173 1 387 . 1 1 42 42 THR HG21 H 1 1.385 0.004 . 1 . . . . 42 THR HG2 . 15173 1 388 . 1 1 42 42 THR HG22 H 1 1.385 0.004 . 1 . . . . 42 THR HG2 . 15173 1 389 . 1 1 42 42 THR HG23 H 1 1.385 0.004 . 1 . . . . 42 THR HG2 . 15173 1 390 . 1 1 42 42 THR C C 13 172.356 0.000 . 1 . . . . 42 THR C . 15173 1 391 . 1 1 42 42 THR CA C 13 65.121 0.070 . 1 . . . . 42 THR CA . 15173 1 392 . 1 1 42 42 THR CB C 13 72.109 0.001 . 1 . . . . 42 THR CB . 15173 1 393 . 1 1 42 42 THR CG2 C 13 20.834 0.046 . 1 . . . . 42 THR CG2 . 15173 1 394 . 1 1 42 42 THR N N 15 113.600 0.026 . 1 . . . . 42 THR N . 15173 1 395 . 1 1 43 43 ALA H H 1 6.989 0.013 . 1 . . . . 43 ALA H . 15173 1 396 . 1 1 43 43 ALA HA H 1 1.242 0.005 . 1 . . . . 43 ALA HA . 15173 1 397 . 1 1 43 43 ALA HB1 H 1 0.003 0.005 . 1 . . . . 43 ALA HB . 15173 1 398 . 1 1 43 43 ALA HB2 H 1 0.003 0.005 . 1 . . . . 43 ALA HB . 15173 1 399 . 1 1 43 43 ALA HB3 H 1 0.003 0.005 . 1 . . . . 43 ALA HB . 15173 1 400 . 1 1 43 43 ALA C C 13 174.296 0.000 . 1 . . . . 43 ALA C . 15173 1 401 . 1 1 43 43 ALA CA C 13 52.605 0.047 . 1 . . . . 43 ALA CA . 15173 1 402 . 1 1 43 43 ALA CB C 13 19.640 0.044 . 1 . . . . 43 ALA CB . 15173 1 403 . 1 1 43 43 ALA N N 15 126.156 0.018 . 1 . . . . 43 ALA N . 15173 1 404 . 1 1 44 44 ARG H H 1 4.148 0.003 . 1 . . . . 44 ARG H . 15173 1 405 . 1 1 44 44 ARG HA H 1 4.730 0.009 . 1 . . . . 44 ARG HA . 15173 1 406 . 1 1 44 44 ARG HB2 H 1 1.293 0.006 . 2 . . . . 44 ARG HB2 . 15173 1 407 . 1 1 44 44 ARG HB3 H 1 1.468 0.004 . 2 . . . . 44 ARG HB3 . 15173 1 408 . 1 1 44 44 ARG HG2 H 1 1.478 0.006 . 2 . . . . 44 ARG HG2 . 15173 1 409 . 1 1 44 44 ARG HD2 H 1 2.800 0.004 . 2 . . . . 44 ARG HD2 . 15173 1 410 . 1 1 44 44 ARG HD3 H 1 2.851 0.002 . 2 . . . . 44 ARG HD3 . 15173 1 411 . 1 1 44 44 ARG HE H 1 6.731 0.003 . 1 . . . . 44 ARG HE . 15173 1 412 . 1 1 44 44 ARG C C 13 173.888 0.000 . 1 . . . . 44 ARG C . 15173 1 413 . 1 1 44 44 ARG CA C 13 52.023 0.055 . 1 . . . . 44 ARG CA . 15173 1 414 . 1 1 44 44 ARG CB C 13 32.059 0.094 . 1 . . . . 44 ARG CB . 15173 1 415 . 1 1 44 44 ARG CG C 13 26.383 0.058 . 1 . . . . 44 ARG CG . 15173 1 416 . 1 1 44 44 ARG CD C 13 43.009 0.012 . 1 . . . . 44 ARG CD . 15173 1 417 . 1 1 44 44 ARG N N 15 117.486 0.017 . 1 . . . . 44 ARG N . 15173 1 418 . 1 1 44 44 ARG NE N 15 85.296 0.022 . 1 . . . . 44 ARG NE . 15173 1 419 . 1 1 45 45 TYR H H 1 8.440 0.014 . 1 . . . . 45 TYR H . 15173 1 420 . 1 1 45 45 TYR HA H 1 6.271 0.006 . 1 . . . . 45 TYR HA . 15173 1 421 . 1 1 45 45 TYR HB2 H 1 2.119 0.007 . 2 . . . . 45 TYR HB2 . 15173 1 422 . 1 1 45 45 TYR HB3 H 1 3.367 0.010 . 2 . . . . 45 TYR HB3 . 15173 1 423 . 1 1 45 45 TYR HD1 H 1 6.350 0.004 . 3 . . . . 45 TYR HD1 . 15173 1 424 . 1 1 45 45 TYR HD2 H 1 7.519 0.003 . 3 . . . . 45 TYR HD2 . 15173 1 425 . 1 1 45 45 TYR HE1 H 1 6.134 0.006 . 3 . . . . 45 TYR HE1 . 15173 1 426 . 1 1 45 45 TYR HE2 H 1 6.711 0.004 . 3 . . . . 45 TYR HE2 . 15173 1 427 . 1 1 45 45 TYR HH H 1 12.455 0.005 . 1 . . . . 45 TYR HH . 15173 1 428 . 1 1 45 45 TYR C C 13 175.339 0.000 . 1 . . . . 45 TYR C . 15173 1 429 . 1 1 45 45 TYR CA C 13 56.217 0.064 . 1 . . . . 45 TYR CA . 15173 1 430 . 1 1 45 45 TYR CB C 13 44.835 0.058 . 1 . . . . 45 TYR CB . 15173 1 431 . 1 1 45 45 TYR CD1 C 13 130.161 0.019 . 3 . . . . 45 TYR CD1 . 15173 1 432 . 1 1 45 45 TYR CD2 C 13 131.116 0.011 . 3 . . . . 45 TYR CD2 . 15173 1 433 . 1 1 45 45 TYR CE1 C 13 116.009 0.089 . 3 . . . . 45 TYR CE1 . 15173 1 434 . 1 1 45 45 TYR CE2 C 13 115.796 0.044 . 3 . . . . 45 TYR CE2 . 15173 1 435 . 1 1 45 45 TYR N N 15 115.665 0.034 . 1 . . . . 45 TYR N . 15173 1 436 . 1 1 46 46 CYS H H 1 9.333 0.014 . 1 . . . . 46 CYS H . 15173 1 437 . 1 1 46 46 CYS HA H 1 4.806 0.005 . 1 . . . . 46 CYS HA . 15173 1 438 . 1 1 46 46 CYS HB2 H 1 2.793 0.012 . 2 . . . . 46 CYS HB2 . 15173 1 439 . 1 1 46 46 CYS HB3 H 1 3.287 0.016 . 2 . . . . 46 CYS HB3 . 15173 1 440 . 1 1 46 46 CYS C C 13 175.176 0.000 . 1 . . . . 46 CYS C . 15173 1 441 . 1 1 46 46 CYS CA C 13 59.906 0.054 . 1 . . . . 46 CYS CA . 15173 1 442 . 1 1 46 46 CYS CB C 13 30.200 0.047 . 1 . . . . 46 CYS CB . 15173 1 443 . 1 1 46 46 CYS N N 15 119.321 0.033 . 1 . . . . 46 CYS N . 15173 1 444 . 1 1 47 47 GLY H H 1 7.236 0.012 . 1 . . . . 47 GLY H . 15173 1 445 . 1 1 47 47 GLY HA2 H 1 3.864 0.006 . 2 . . . . 47 GLY HA2 . 15173 1 446 . 1 1 47 47 GLY HA3 H 1 4.389 0.007 . 2 . . . . 47 GLY HA3 . 15173 1 447 . 1 1 47 47 GLY C C 13 172.661 0.000 . 1 . . . . 47 GLY C . 15173 1 448 . 1 1 47 47 GLY CA C 13 44.896 0.057 . 1 . . . . 47 GLY CA . 15173 1 449 . 1 1 47 47 GLY N N 15 107.296 0.017 . 1 . . . . 47 GLY N . 15173 1 450 . 1 1 48 48 SER H H 1 8.712 0.013 . 1 . . . . 48 SER H . 15173 1 451 . 1 1 48 48 SER HA H 1 4.163 0.005 . 1 . . . . 48 SER HA . 15173 1 452 . 1 1 48 48 SER HB2 H 1 3.846 0.008 . 2 . . . . 48 SER HB2 . 15173 1 453 . 1 1 48 48 SER C C 13 176.545 0.000 . 1 . . . . 48 SER C . 15173 1 454 . 1 1 48 48 SER CA C 13 61.208 0.053 . 1 . . . . 48 SER CA . 15173 1 455 . 1 1 48 48 SER CB C 13 63.180 0.072 . 1 . . . . 48 SER CB . 15173 1 456 . 1 1 48 48 SER N N 15 114.539 0.033 . 1 . . . . 48 SER N . 15173 1 457 . 1 1 49 49 PHE H H 1 8.740 0.001 . 1 . . . . 49 PHE H . 15173 1 458 . 1 1 49 49 PHE HA H 1 4.064 0.009 . 1 . . . . 49 PHE HA . 15173 1 459 . 1 1 49 49 PHE HB2 H 1 3.125 0.001 . 2 . . . . 49 PHE HB2 . 15173 1 460 . 1 1 49 49 PHE HB3 H 1 3.185 0.002 . 2 . . . . 49 PHE HB3 . 15173 1 461 . 1 1 49 49 PHE HD1 H 1 7.157 0.002 . 3 . . . . 49 PHE HD1 . 15173 1 462 . 1 1 49 49 PHE HE1 H 1 7.165 0.000 . 3 . . . . 49 PHE HE1 . 15173 1 463 . 1 1 49 49 PHE C C 13 178.802 0.000 . 1 . . . . 49 PHE C . 15173 1 464 . 1 1 49 49 PHE CA C 13 62.617 0.051 . 1 . . . . 49 PHE CA . 15173 1 465 . 1 1 49 49 PHE CB C 13 38.406 0.046 . 1 . . . . 49 PHE CB . 15173 1 466 . 1 1 49 49 PHE N N 15 125.846 0.012 . 1 . . . . 49 PHE N . 15173 1 467 . 1 1 50 50 CYS H H 1 8.860 0.008 . 1 . . . . 50 CYS H . 15173 1 468 . 1 1 50 50 CYS HA H 1 4.020 0.006 . 1 . . . . 50 CYS HA . 15173 1 469 . 1 1 50 50 CYS HB2 H 1 2.972 0.006 . 2 . . . . 50 CYS HB2 . 15173 1 470 . 1 1 50 50 CYS HB3 H 1 3.100 0.010 . 2 . . . . 50 CYS HB3 . 15173 1 471 . 1 1 50 50 CYS C C 13 176.845 0.000 . 1 . . . . 50 CYS C . 15173 1 472 . 1 1 50 50 CYS CA C 13 65.770 0.100 . 1 . . . . 50 CYS CA . 15173 1 473 . 1 1 50 50 CYS CB C 13 31.913 0.042 . 1 . . . . 50 CYS CB . 15173 1 474 . 1 1 50 50 CYS N N 15 120.918 0.017 . 1 . . . . 50 CYS N . 15173 1 475 . 1 1 51 51 GLN H H 1 7.431 0.013 . 1 . . . . 51 GLN H . 15173 1 476 . 1 1 51 51 GLN HA H 1 1.885 0.007 . 1 . . . . 51 GLN HA . 15173 1 477 . 1 1 51 51 GLN HB2 H 1 1.083 0.008 . 2 . . . . 51 GLN HB2 . 15173 1 478 . 1 1 51 51 GLN HB3 H 1 1.277 0.005 . 2 . . . . 51 GLN HB3 . 15173 1 479 . 1 1 51 51 GLN HG2 H 1 2.076 0.008 . 2 . . . . 51 GLN HG2 . 15173 1 480 . 1 1 51 51 GLN HG3 H 1 2.198 0.009 . 2 . . . . 51 GLN HG3 . 15173 1 481 . 1 1 51 51 GLN HE21 H 1 7.238 0.003 . 2 . . . . 51 GLN HE21 . 15173 1 482 . 1 1 51 51 GLN HE22 H 1 8.172 0.005 . 2 . . . . 51 GLN HE22 . 15173 1 483 . 1 1 51 51 GLN C C 13 179.156 0.000 . 1 . . . . 51 GLN C . 15173 1 484 . 1 1 51 51 GLN CA C 13 58.599 0.072 . 1 . . . . 51 GLN CA . 15173 1 485 . 1 1 51 51 GLN CB C 13 27.651 0.000 . 1 . . . . 51 GLN CB . 15173 1 486 . 1 1 51 51 GLN CG C 13 32.305 0.042 . 1 . . . . 51 GLN CG . 15173 1 487 . 1 1 51 51 GLN N N 15 117.797 0.025 . 1 . . . . 51 GLN N . 15173 1 488 . 1 1 51 51 GLN NE2 N 15 112.436 0.061 . 1 . . . . 51 GLN NE2 . 15173 1 489 . 1 1 52 52 HIS H H 1 8.385 0.013 . 1 . . . . 52 HIS H . 15173 1 490 . 1 1 52 52 HIS HA H 1 3.842 0.010 . 1 . . . . 52 HIS HA . 15173 1 491 . 1 1 52 52 HIS HB2 H 1 3.046 0.005 . 2 . . . . 52 HIS HB2 . 15173 1 492 . 1 1 52 52 HIS HD2 H 1 6.919 0.007 . 1 . . . . 52 HIS HD2 . 15173 1 493 . 1 1 52 52 HIS HE1 H 1 7.709 0.002 . 1 . . . . 52 HIS HE1 . 15173 1 494 . 1 1 52 52 HIS C C 13 178.172 0.000 . 1 . . . . 52 HIS C . 15173 1 495 . 1 1 52 52 HIS CA C 13 60.737 0.048 . 1 . . . . 52 HIS CA . 15173 1 496 . 1 1 52 52 HIS CB C 13 29.221 0.049 . 1 . . . . 52 HIS CB . 15173 1 497 . 1 1 52 52 HIS CD2 C 13 118.3 0.069 . 1 . . . . 52 HIS CD2 . 15173 1 498 . 1 1 52 52 HIS CE1 C 13 135.32 0.037 . 1 . . . . 52 HIS CE1 . 15173 1 499 . 1 1 52 52 HIS N N 15 118.255 0.033 . 1 . . . . 52 HIS N . 15173 1 500 . 1 1 53 53 LYS H H 1 8.165 0.012 . 1 . . . . 53 LYS H . 15173 1 501 . 1 1 53 53 LYS HA H 1 4.023 0.005 . 1 . . . . 53 LYS HA . 15173 1 502 . 1 1 53 53 LYS HB2 H 1 1.801 0.010 . 2 . . . . 53 LYS HB2 . 15173 1 503 . 1 1 53 53 LYS HB3 H 1 1.899 0.013 . 2 . . . . 53 LYS HB3 . 15173 1 504 . 1 1 53 53 LYS HG2 H 1 1.485 0.001 . 2 . . . . 53 LYS HG2 . 15173 1 505 . 1 1 53 53 LYS HG3 H 1 1.543 0.004 . 2 . . . . 53 LYS HG3 . 15173 1 506 . 1 1 53 53 LYS HD2 H 1 1.637 0.009 . 2 . . . . 53 LYS HD2 . 15173 1 507 . 1 1 53 53 LYS HD3 H 1 1.774 0.010 . 2 . . . . 53 LYS HD3 . 15173 1 508 . 1 1 53 53 LYS HE2 H 1 3.071 0.004 . 2 . . . . 53 LYS HE2 . 15173 1 509 . 1 1 53 53 LYS HE3 H 1 3.170 0.008 . 2 . . . . 53 LYS HE3 . 15173 1 510 . 1 1 53 53 LYS C C 13 178.478 0.000 . 1 . . . . 53 LYS C . 15173 1 511 . 1 1 53 53 LYS CA C 13 57.998 0.058 . 1 . . . . 53 LYS CA . 15173 1 512 . 1 1 53 53 LYS CB C 13 31.560 0.048 . 1 . . . . 53 LYS CB . 15173 1 513 . 1 1 53 53 LYS CG C 13 23.995 0.038 . 1 . . . . 53 LYS CG . 15173 1 514 . 1 1 53 53 LYS CD C 13 28.065 0.071 . 1 . . . . 53 LYS CD . 15173 1 515 . 1 1 53 53 LYS N N 15 121.681 0.017 . 1 . . . . 53 LYS N . 15173 1 516 . 1 1 54 54 ASP H H 1 7.665 0.013 . 1 . . . . 54 ASP H . 15173 1 517 . 1 1 54 54 ASP HA H 1 5.082 0.006 . 1 . . . . 54 ASP HA . 15173 1 518 . 1 1 54 54 ASP HB2 H 1 2.613 0.007 . 2 . . . . 54 ASP HB2 . 15173 1 519 . 1 1 54 54 ASP HB3 H 1 2.845 0.006 . 2 . . . . 54 ASP HB3 . 15173 1 520 . 1 1 54 54 ASP C C 13 176.952 0.000 . 1 . . . . 54 ASP C . 15173 1 521 . 1 1 54 54 ASP CA C 13 54.755 0.058 . 1 . . . . 54 ASP CA . 15173 1 522 . 1 1 54 54 ASP CB C 13 43.790 0.071 . 1 . . . . 54 ASP CB . 15173 1 523 . 1 1 54 54 ASP N N 15 115.225 0.025 . 1 . . . . 54 ASP N . 15173 1 524 . 1 1 55 55 TRP H H 1 7.676 0.014 . 1 . . . . 55 TRP H . 15173 1 525 . 1 1 55 55 TRP HA H 1 5.047 0.007 . 1 . . . . 55 TRP HA . 15173 1 526 . 1 1 55 55 TRP HB2 H 1 3.279 0.000 . 2 . . . . 55 TRP HB2 . 15173 1 527 . 1 1 55 55 TRP HB3 H 1 3.357 0.000 . 2 . . . . 55 TRP HB3 . 15173 1 528 . 1 1 55 55 TRP HD1 H 1 7.100 0.004 . 1 . . . . 55 TRP HD1 . 15173 1 529 . 1 1 55 55 TRP HE1 H 1 9.493 0.012 . 1 . . . . 55 TRP HE1 . 15173 1 530 . 1 1 55 55 TRP HE3 H 1 8.167 0.005 . 1 . . . . 55 TRP HE3 . 15173 1 531 . 1 1 55 55 TRP HZ2 H 1 7.150 0.005 . 1 . . . . 55 TRP HZ2 . 15173 1 532 . 1 1 55 55 TRP HZ3 H 1 7.222 0.012 . 1 . . . . 55 TRP HZ3 . 15173 1 533 . 1 1 55 55 TRP HH2 H 1 7.219 0.012 . 1 . . . . 55 TRP HH2 . 15173 1 534 . 1 1 55 55 TRP CA C 13 59.658 0.047 . 1 . . . . 55 TRP CA . 15173 1 535 . 1 1 55 55 TRP CB C 13 30.631 0.060 . 1 . . . . 55 TRP CB . 15173 1 536 . 1 1 55 55 TRP CD1 C 13 125.221 0.042 . 1 . . . . 55 TRP CD1 . 15173 1 537 . 1 1 55 55 TRP CE3 C 13 119.669 0.000 . 1 . . . . 55 TRP CE3 . 15173 1 538 . 1 1 55 55 TRP CZ2 C 13 112.937 0.044 . 1 . . . . 55 TRP CZ2 . 15173 1 539 . 1 1 55 55 TRP CZ3 C 13 119.718 0.006 . 1 . . . . 55 TRP CZ3 . 15173 1 540 . 1 1 55 55 TRP CH2 C 13 122.359 0.042 . 1 . . . . 55 TRP CH2 . 15173 1 541 . 1 1 55 55 TRP N N 15 122.016 0.028 . 1 . . . . 55 TRP N . 15173 1 542 . 1 1 55 55 TRP NE1 N 15 127.942 0.018 . 1 . . . . 55 TRP NE1 . 15173 1 543 . 1 1 56 56 GLU H H 1 8.281 0.005 . 1 . . . . 56 GLU H . 15173 1 544 . 1 1 56 56 GLU HA H 1 3.819 0.006 . 1 . . . . 56 GLU HA . 15173 1 545 . 1 1 56 56 GLU HB2 H 1 2.122 0.005 . 2 . . . . 56 GLU HB2 . 15173 1 546 . 1 1 56 56 GLU HB3 H 1 2.190 0.002 . 2 . . . . 56 GLU HB3 . 15173 1 547 . 1 1 56 56 GLU HG2 H 1 2.327 0.007 . 2 . . . . 56 GLU HG2 . 15173 1 548 . 1 1 56 56 GLU C C 13 177.430 0.000 . 1 . . . . 56 GLU C . 15173 1 549 . 1 1 56 56 GLU CA C 13 60.137 0.054 . 1 . . . . 56 GLU CA . 15173 1 550 . 1 1 56 56 GLU CB C 13 29.087 0.112 . 1 . . . . 56 GLU CB . 15173 1 551 . 1 1 56 56 GLU CG C 13 36.233 0.048 . 1 . . . . 56 GLU CG . 15173 1 552 . 1 1 56 56 GLU N N 15 118.949 0.044 . 1 . . . . 56 GLU N . 15173 1 553 . 1 1 57 57 LYS H H 1 7.653 0.009 . 1 . . . . 57 LYS H . 15173 1 554 . 1 1 57 57 LYS HA H 1 4.380 0.004 . 1 . . . . 57 LYS HA . 15173 1 555 . 1 1 57 57 LYS HB2 H 1 1.893 0.013 . 2 . . . . 57 LYS HB2 . 15173 1 556 . 1 1 57 57 LYS HB3 H 1 2.048 0.005 . 2 . . . . 57 LYS HB3 . 15173 1 557 . 1 1 57 57 LYS HG2 H 1 1.522 0.002 . 2 . . . . 57 LYS HG2 . 15173 1 558 . 1 1 57 57 LYS HG3 H 1 1.594 0.006 . 2 . . . . 57 LYS HG3 . 15173 1 559 . 1 1 57 57 LYS HD2 H 1 1.886 0.004 . 2 . . . . 57 LYS HD2 . 15173 1 560 . 1 1 57 57 LYS HE2 H 1 3.132 0.005 . 2 . . . . 57 LYS HE2 . 15173 1 561 . 1 1 57 57 LYS C C 13 179.121 0.000 . 1 . . . . 57 LYS C . 15173 1 562 . 1 1 57 57 LYS CA C 13 58.281 0.045 . 1 . . . . 57 LYS CA . 15173 1 563 . 1 1 57 57 LYS CB C 13 33.485 0.048 . 1 . . . . 57 LYS CB . 15173 1 564 . 1 1 57 57 LYS CG C 13 25.102 0.043 . 1 . . . . 57 LYS CG . 15173 1 565 . 1 1 57 57 LYS CD C 13 29.350 0.043 . 1 . . . . 57 LYS CD . 15173 1 566 . 1 1 57 57 LYS CE C 13 42.221 0.091 . 1 . . . . 57 LYS CE . 15173 1 567 . 1 1 57 57 LYS N N 15 116.679 0.027 . 1 . . . . 57 LYS N . 15173 1 568 . 1 1 58 58 HIS H H 1 9.431 0.008 . 1 . . . . 58 HIS H . 15173 1 569 . 1 1 58 58 HIS HA H 1 4.557 0.008 . 1 . . . . 58 HIS HA . 15173 1 570 . 1 1 58 58 HIS HB2 H 1 3.345 0.005 . 2 . . . . 58 HIS HB2 . 15173 1 571 . 1 1 58 58 HIS HB3 H 1 3.539 0.006 . 2 . . . . 58 HIS HB3 . 15173 1 572 . 1 1 58 58 HIS HD1 H 1 13.051 0.001 . 1 . . . . 58 HIS HD1 . 15173 1 573 . 1 1 58 58 HIS HE1 H 1 8.024 0.003 . 1 . . . . 58 HIS HE1 . 15173 1 574 . 1 1 58 58 HIS C C 13 177.549 0.000 . 1 . . . . 58 HIS C . 15173 1 575 . 1 1 58 58 HIS CA C 13 58.870 0.110 . 1 . . . . 58 HIS CA . 15173 1 576 . 1 1 58 58 HIS CB C 13 30.147 0.071 . 1 . . . . 58 HIS CB . 15173 1 577 . 1 1 58 58 HIS CE1 C 13 137.173 0.040 . 1 . . . . 58 HIS CE1 . 15173 1 578 . 1 1 58 58 HIS N N 15 119.810 0.016 . 1 . . . . 58 HIS N . 15173 1 579 . 1 1 59 59 HIS H H 1 8.537 0.009 . 1 . . . . 59 HIS H . 15173 1 580 . 1 1 59 59 HIS HA H 1 3.151 0.006 . 1 . . . . 59 HIS HA . 15173 1 581 . 1 1 59 59 HIS HB2 H 1 0.774 0.007 . 2 . . . . 59 HIS HB2 . 15173 1 582 . 1 1 59 59 HIS HB3 H 1 1.895 0.007 . 2 . . . . 59 HIS HB3 . 15173 1 583 . 1 1 59 59 HIS HD2 H 1 6.637 0.004 . 1 . . . . 59 HIS HD2 . 15173 1 584 . 1 1 59 59 HIS HE1 H 1 7.782 0.006 . 1 . . . . 59 HIS HE1 . 15173 1 585 . 1 1 59 59 HIS C C 13 175.278 0.000 . 1 . . . . 59 HIS C . 15173 1 586 . 1 1 59 59 HIS CA C 13 58.690 0.075 . 1 . . . . 59 HIS CA . 15173 1 587 . 1 1 59 59 HIS CB C 13 25.853 0.073 . 1 . . . . 59 HIS CB . 15173 1 588 . 1 1 59 59 HIS CD2 C 13 119.6 0.042 . 1 . . . . 59 HIS CD2 . 15173 1 589 . 1 1 59 59 HIS CE1 C 13 135.049 0.020 . 1 . . . . 59 HIS CE1 . 15173 1 590 . 1 1 59 59 HIS N N 15 114.957 0.026 . 1 . . . . 59 HIS N . 15173 1 591 . 1 1 60 60 HIS H H 1 6.421 0.014 . 1 . . . . 60 HIS H . 15173 1 592 . 1 1 60 60 HIS HA H 1 3.884 0.005 . 1 . . . . 60 HIS HA . 15173 1 593 . 1 1 60 60 HIS HB2 H 1 2.753 0.004 . 2 . . . . 60 HIS HB2 . 15173 1 594 . 1 1 60 60 HIS HB3 H 1 2.964 0.004 . 2 . . . . 60 HIS HB3 . 15173 1 595 . 1 1 60 60 HIS HD2 H 1 7.040 0.005 . 1 . . . . 60 HIS HD2 . 15173 1 596 . 1 1 60 60 HIS HE1 H 1 7.891 0.001 . 1 . . . . 60 HIS HE1 . 15173 1 597 . 1 1 60 60 HIS C C 13 175.943 0.000 . 1 . . . . 60 HIS C . 15173 1 598 . 1 1 60 60 HIS CA C 13 58.342 0.063 . 1 . . . . 60 HIS CA . 15173 1 599 . 1 1 60 60 HIS CB C 13 30.699 0.061 . 1 . . . . 60 HIS CB . 15173 1 600 . 1 1 60 60 HIS CD2 C 13 117.791 0.042 . 1 . . . . 60 HIS CD2 . 15173 1 601 . 1 1 60 60 HIS CE1 C 13 136.269 0.012 . 1 . . . . 60 HIS CE1 . 15173 1 602 . 1 1 60 60 HIS N N 15 114.530 0.025 . 1 . . . . 60 HIS N . 15173 1 603 . 1 1 61 61 ILE H H 1 7.174 0.013 . 1 . . . . 61 ILE H . 15173 1 604 . 1 1 61 61 ILE HA H 1 4.431 0.003 . 1 . . . . 61 ILE HA . 15173 1 605 . 1 1 61 61 ILE HB H 1 2.046 0.006 . 1 . . . . 61 ILE HB . 15173 1 606 . 1 1 61 61 ILE HG12 H 1 1.198 0.007 . 1 . . . . 61 ILE HG12 . 15173 1 607 . 1 1 61 61 ILE HG13 H 1 1.291 0.002 . 1 . . . . 61 ILE HG13 . 15173 1 608 . 1 1 61 61 ILE HG21 H 1 0.886 0.012 . 1 . . . . 61 ILE HG2 . 15173 1 609 . 1 1 61 61 ILE HG22 H 1 0.886 0.012 . 1 . . . . 61 ILE HG2 . 15173 1 610 . 1 1 61 61 ILE HG23 H 1 0.886 0.012 . 1 . . . . 61 ILE HG2 . 15173 1 611 . 1 1 61 61 ILE HD11 H 1 1.074 0.007 . 1 . . . . 61 ILE HD1 . 15173 1 612 . 1 1 61 61 ILE HD12 H 1 1.074 0.007 . 1 . . . . 61 ILE HD1 . 15173 1 613 . 1 1 61 61 ILE HD13 H 1 1.074 0.007 . 1 . . . . 61 ILE HD1 . 15173 1 614 . 1 1 61 61 ILE C C 13 175.230 0.000 . 1 . . . . 61 ILE C . 15173 1 615 . 1 1 61 61 ILE CA C 13 60.293 0.041 . 1 . . . . 61 ILE CA . 15173 1 616 . 1 1 61 61 ILE CB C 13 39.999 0.053 . 1 . . . . 61 ILE CB . 15173 1 617 . 1 1 61 61 ILE CG1 C 13 26.970 0.033 . 1 . . . . 61 ILE CG1 . 15173 1 618 . 1 1 61 61 ILE CG2 C 13 18.047 0.055 . 1 . . . . 61 ILE CG2 . 15173 1 619 . 1 1 61 61 ILE CD1 C 13 14.337 0.087 . 1 . . . . 61 ILE CD1 . 15173 1 620 . 1 1 61 61 ILE N N 15 110.683 0.026 . 1 . . . . 61 ILE N . 15173 1 621 . 1 1 62 62 CYS H H 1 7.086 0.013 . 1 . . . . 62 CYS H . 15173 1 622 . 1 1 62 62 CYS HA H 1 3.715 0.005 . 1 . . . . 62 CYS HA . 15173 1 623 . 1 1 62 62 CYS HB2 H 1 1.806 0.004 . 2 . . . . 62 CYS HB2 . 15173 1 624 . 1 1 62 62 CYS HB3 H 1 2.508 0.004 . 2 . . . . 62 CYS HB3 . 15173 1 625 . 1 1 62 62 CYS C C 13 175.959 0.000 . 1 . . . . 62 CYS C . 15173 1 626 . 1 1 62 62 CYS CA C 13 62.158 0.050 . 1 . . . . 62 CYS CA . 15173 1 627 . 1 1 62 62 CYS CB C 13 29.477 0.027 . 1 . . . . 62 CYS CB . 15173 1 628 . 1 1 62 62 CYS N N 15 125.719 0.011 . 1 . . . . 62 CYS N . 15173 1 629 . 1 1 63 63 GLY H H 1 8.178 0.011 . 1 . . . . 63 GLY H . 15173 1 630 . 1 1 63 63 GLY HA2 H 1 3.926 0.004 . 2 . . . . 63 GLY HA2 . 15173 1 631 . 1 1 63 63 GLY HA3 H 1 4.155 0.003 . 2 . . . . 63 GLY HA3 . 15173 1 632 . 1 1 63 63 GLY C C 13 174.679 0.000 . 1 . . . . 63 GLY C . 15173 1 633 . 1 1 63 63 GLY CA C 13 45.809 0.025 . 1 . . . . 63 GLY CA . 15173 1 634 . 1 1 63 63 GLY N N 15 113.735 0.024 . 1 . . . . 63 GLY N . 15173 1 635 . 1 1 64 64 GLN H H 1 8.117 0.014 . 1 . . . . 64 GLN H . 15173 1 636 . 1 1 64 64 GLN HA H 1 4.391 0.004 . 1 . . . . 64 GLN HA . 15173 1 637 . 1 1 64 64 GLN HB2 H 1 1.957 0.000 . 2 . . . . 64 GLN HB2 . 15173 1 638 . 1 1 64 64 GLN HB3 H 1 2.174 0.000 . 2 . . . . 64 GLN HB3 . 15173 1 639 . 1 1 64 64 GLN HG2 H 1 2.167 0.000 . 2 . . . . 64 GLN HG2 . 15173 1 640 . 1 1 64 64 GLN C C 13 176.400 0.000 . 1 . . . . 64 GLN C . 15173 1 641 . 1 1 64 64 GLN CA C 13 56.249 0.000 . 1 . . . . 64 GLN CA . 15173 1 642 . 1 1 64 64 GLN CB C 13 29.468 0.000 . 1 . . . . 64 GLN CB . 15173 1 643 . 1 1 64 64 GLN CG C 13 33.835 0.000 . 1 . . . . 64 GLN CG . 15173 1 644 . 1 1 64 64 GLN N N 15 119.075 0.018 . 1 . . . . 64 GLN N . 15173 1 645 . 1 1 65 65 THR H H 1 8.175 0.015 . 1 . . . . 65 THR H . 15173 1 646 . 1 1 65 65 THR HA H 1 4.306 0.002 . 1 . . . . 65 THR HA . 15173 1 647 . 1 1 65 65 THR HB H 1 4.233 0.002 . 1 . . . . 65 THR HB . 15173 1 648 . 1 1 65 65 THR HG21 H 1 1.210 0.007 . 1 . . . . 65 THR HG2 . 15173 1 649 . 1 1 65 65 THR HG22 H 1 1.210 0.007 . 1 . . . . 65 THR HG2 . 15173 1 650 . 1 1 65 65 THR HG23 H 1 1.210 0.007 . 1 . . . . 65 THR HG2 . 15173 1 651 . 1 1 65 65 THR CA C 13 62.573 0.000 . 1 . . . . 65 THR CA . 15173 1 652 . 1 1 65 65 THR CB C 13 69.678 0.000 . 1 . . . . 65 THR CB . 15173 1 653 . 1 1 65 65 THR CG2 C 13 21.736 0.024 . 1 . . . . 65 THR CG2 . 15173 1 654 . 1 1 65 65 THR N N 15 114.604 0.014 . 1 . . . . 65 THR N . 15173 1 655 . 1 1 66 66 LEU H H 1 8.115 0.014 . 1 . . . . 66 LEU H . 15173 1 656 . 1 1 66 66 LEU HA H 1 4.367 0.000 . 1 . . . . 66 LEU HA . 15173 1 657 . 1 1 66 66 LEU HB2 H 1 1.645 0.002 . 2 . . . . 66 LEU HB2 . 15173 1 658 . 1 1 66 66 LEU CA C 13 55.497 0.000 . 1 . . . . 66 LEU CA . 15173 1 659 . 1 1 66 66 LEU CB C 13 42.406 0.009 . 1 . . . . 66 LEU CB . 15173 1 660 . 1 1 66 66 LEU N N 15 124.452 0.018 . 1 . . . . 66 LEU N . 15173 1 661 . 1 1 67 67 GLN H H 1 8.244 0.002 . 1 . . . . 67 GLN H . 15173 1 662 . 1 1 67 67 GLN HA H 1 4.304 0.000 . 1 . . . . 67 GLN HA . 15173 1 663 . 1 1 67 67 GLN HB2 H 1 2.351 0.000 . 2 . . . . 67 GLN HB2 . 15173 1 664 . 1 1 67 67 GLN CA C 13 55.819 0.000 . 1 . . . . 67 GLN CA . 15173 1 665 . 1 1 67 67 GLN CB C 13 29.576 0.000 . 1 . . . . 67 GLN CB . 15173 1 666 . 1 1 67 67 GLN CG C 13 33.926 0.000 . 1 . . . . 67 GLN CG . 15173 1 667 . 1 1 67 67 GLN N N 15 121.036 0.013 . 1 . . . . 67 GLN N . 15173 1 668 . 1 1 68 68 ALA H H 1 8.221 0.013 . 1 . . . . 68 ALA H . 15173 1 669 . 1 1 68 68 ALA HA H 1 4.290 0.000 . 1 . . . . 68 ALA HA . 15173 1 670 . 1 1 68 68 ALA HB1 H 1 1.376 0.001 . 1 . . . . 68 ALA HB . 15173 1 671 . 1 1 68 68 ALA HB2 H 1 1.376 0.001 . 1 . . . . 68 ALA HB . 15173 1 672 . 1 1 68 68 ALA HB3 H 1 1.376 0.001 . 1 . . . . 68 ALA HB . 15173 1 673 . 1 1 68 68 ALA CA C 13 52.559 0.000 . 1 . . . . 68 ALA CA . 15173 1 674 . 1 1 68 68 ALA CB C 13 19.339 0.000 . 1 . . . . 68 ALA CB . 15173 1 675 . 1 1 68 68 ALA N N 15 125.087 0.008 . 1 . . . . 68 ALA N . 15173 1 676 . 1 1 69 69 GLN H H 1 8.278 0.013 . 1 . . . . 69 GLN H . 15173 1 677 . 1 1 69 69 GLN HA H 1 4.294 0.000 . 1 . . . . 69 GLN HA . 15173 1 678 . 1 1 69 69 GLN HB2 H 1 2.357 0.000 . 2 . . . . 69 GLN HB2 . 15173 1 679 . 1 1 69 69 GLN CA C 13 55.901 0.000 . 1 . . . . 69 GLN CA . 15173 1 680 . 1 1 69 69 GLN CB C 13 29.628 0.000 . 1 . . . . 69 GLN CB . 15173 1 681 . 1 1 69 69 GLN N N 15 120.023 0.004 . 1 . . . . 69 GLN N . 15173 1 682 . 1 1 70 70 GLN H H 1 7.972 0.014 . 1 . . . . 70 GLN H . 15173 1 683 . 1 1 70 70 GLN CA C 13 57.389 0.000 . 1 . . . . 70 GLN CA . 15173 1 684 . 1 1 70 70 GLN CB C 13 30.491 0.000 . 1 . . . . 70 GLN CB . 15173 1 685 . 1 1 70 70 GLN N N 15 126.788 0.005 . 1 . . . . 70 GLN N . 15173 1 stop_ save_