################################### # 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 17165 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Structure _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/HMQC' 1 $15N13C isotropic 17165 1 2 '3D HNCA' 1 $15N13C isotropic 17165 1 3 'CBCACONH (H[N[co[{CA|ca[C]}]]])' 1 $15N13C isotropic 17165 1 4 '3D HNCO' 1 $15N13C isotropic 17165 1 5 'HCCONH (HccoNH)' 1 $15N13C isotropic 17165 1 6 'CCONH (hC_ccoNH.TOCSY)' 1 $15N13C isotropic 17165 1 7 '3D HN(CO)CA' 1 $15N13C isotropic 17165 1 8 '3D HNCACB' 1 $15N13C isotropic 17165 1 9 '3D HCCH-TOCSY' 1 $15N13C isotropic 17165 1 10 '3D HCCH-COSY' 1 $15N13C isotropic 17165 1 11 'C_TOCSY (hC_CH.TOCSY)' 1 $15N13C isotropic 17165 1 12 '3D 1H-15N NOESY' 1 $15N13C isotropic 17165 1 13 '2D 1H-13C HSQC/HMQC' 2 $15N13C_d2o isotropic 17165 1 16 '3D 1H-13C NOESY' 2 $15N13C_d2o isotropic 17165 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CcpNmr_Analysis . . 17165 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 MET HA H 1 3.851 0.001 . 1 . . . . 1 MET HA . 17165 1 2 . 1 1 1 1 MET HB2 H 1 1.897 0.002 . 1 . . . . 1 MET HB2 . 17165 1 3 . 1 1 1 1 MET HB3 H 1 1.897 0.002 . 1 . . . . 1 MET HB3 . 17165 1 4 . 1 1 1 1 MET HG2 H 1 2.467 0.001 . 1 . . . . 1 MET HG2 . 17165 1 5 . 1 1 1 1 MET HG3 H 1 2.467 0.001 . 1 . . . . 1 MET HG3 . 17165 1 6 . 1 1 1 1 MET CA C 13 55.221 0.065 . 1 . . . . 1 MET CA . 17165 1 7 . 1 1 1 1 MET CB C 13 34.188 0.056 . 1 . . . . 1 MET CB . 17165 1 8 . 1 1 1 1 MET CG C 13 31.208 0.043 . 1 . . . . 1 MET CG . 17165 1 9 . 1 1 2 2 ILE HA H 1 4.190 0.026 . 1 . . . . 2 ILE HA . 17165 1 10 . 1 1 2 2 ILE HB H 1 1.747 0.012 . 1 . . . . 2 ILE HB . 17165 1 11 . 1 1 2 2 ILE HD11 H 1 0.809 0.016 . 1 . . . . 2 ILE HD11 . 17165 1 12 . 1 1 2 2 ILE HD12 H 1 0.809 0.016 . 1 . . . . 2 ILE HD12 . 17165 1 13 . 1 1 2 2 ILE HD13 H 1 0.809 0.016 . 1 . . . . 2 ILE HD13 . 17165 1 14 . 1 1 2 2 ILE HG12 H 1 1.405 0.007 . 1 . . . . 2 ILE HG12 . 17165 1 15 . 1 1 2 2 ILE HG13 H 1 1.129 0.003 . 1 . . . . 2 ILE HG13 . 17165 1 16 . 1 1 2 2 ILE HG21 H 1 0.841 0.012 . 1 . . . . 2 ILE HG21 . 17165 1 17 . 1 1 2 2 ILE HG22 H 1 0.841 0.012 . 1 . . . . 2 ILE HG22 . 17165 1 18 . 1 1 2 2 ILE HG23 H 1 0.841 0.012 . 1 . . . . 2 ILE HG23 . 17165 1 19 . 1 1 2 2 ILE C C 13 175.454 0.030 . 1 . . . . 2 ILE C . 17165 1 20 . 1 1 2 2 ILE CA C 13 61.054 0.112 . 1 . . . . 2 ILE CA . 17165 1 21 . 1 1 2 2 ILE CB C 13 38.943 0.131 . 1 . . . . 2 ILE CB . 17165 1 22 . 1 1 2 2 ILE CD1 C 13 12.836 0.062 . 1 . . . . 2 ILE CD1 . 17165 1 23 . 1 1 2 2 ILE CG1 C 13 27.000 0.12 . 1 . . . . 2 ILE CG1 . 17165 1 24 . 1 1 2 2 ILE CG2 C 13 17.224 0.154 . 1 . . . . 2 ILE CG2 . 17165 1 25 . 1 1 3 3 GLN H H 1 8.439 0.007 . 1 . . . . 3 GLN H . 17165 1 26 . 1 1 3 3 GLN HA H 1 4.670 0.011 . 1 . . . . 3 GLN HA . 17165 1 27 . 1 1 3 3 GLN HB2 H 1 2.127 0.028 . 1 . . . . 3 GLN HB2 . 17165 1 28 . 1 1 3 3 GLN HB3 H 1 2.092 0.011 . 1 . . . . 3 GLN HB3 . 17165 1 29 . 1 1 3 3 GLN HE21 H 1 7.553 0.005 . 1 . . . . 3 GLN HE21 . 17165 1 30 . 1 1 3 3 GLN HE22 H 1 6.806 0.003 . 1 . . . . 3 GLN HE22 . 17165 1 31 . 1 1 3 3 GLN HG2 H 1 2.579 0.011 . 1 . . . . 3 GLN HG2 . 17165 1 32 . 1 1 3 3 GLN HG3 H 1 2.413 0.015 . 1 . . . . 3 GLN HG3 . 17165 1 33 . 1 1 3 3 GLN C C 13 175.777 0.030 . 1 . . . . 3 GLN C . 17165 1 34 . 1 1 3 3 GLN CA C 13 55.795 0.082 . 1 . . . . 3 GLN CA . 17165 1 35 . 1 1 3 3 GLN CB C 13 29.728 0.139 . 1 . . . . 3 GLN CB . 17165 1 36 . 1 1 3 3 GLN CG C 13 34.260 0.114 . 1 . . . . 3 GLN CG . 17165 1 37 . 1 1 3 3 GLN N N 15 123.387 0.087 . 1 . . . . 3 GLN N . 17165 1 38 . 1 1 3 3 GLN NE2 N 15 111.007 0.025 . 1 . . . . 3 GLN NE2 . 17165 1 39 . 1 1 4 4 ARG H H 1 9.477 0.007 . 1 . . . . 4 ARG H . 17165 1 40 . 1 1 4 4 ARG HA H 1 4.864 0.013 . 1 . . . . 4 ARG HA . 17165 1 41 . 1 1 4 4 ARG HB2 H 1 2.253 0.011 . 1 . . . . 4 ARG HB2 . 17165 1 42 . 1 1 4 4 ARG HB3 H 1 1.818 0.007 . 1 . . . . 4 ARG HB3 . 17165 1 43 . 1 1 4 4 ARG HD2 H 1 3.200 0.008 . 1 . . . . 4 ARG HD2 . 17165 1 44 . 1 1 4 4 ARG HD3 H 1 3.116 0.009 . 1 . . . . 4 ARG HD3 . 17165 1 45 . 1 1 4 4 ARG HG2 H 1 1.761 0.007 . 1 . . . . 4 ARG HG2 . 17165 1 46 . 1 1 4 4 ARG HG3 H 1 1.705 0.016 . 1 . . . . 4 ARG HG3 . 17165 1 47 . 1 1 4 4 ARG C C 13 175.091 0.030 . 1 . . . . 4 ARG C . 17165 1 48 . 1 1 4 4 ARG CA C 13 55.436 0.052 . 1 . . . . 4 ARG CA . 17165 1 49 . 1 1 4 4 ARG CB C 13 34.479 0.138 . 1 . . . . 4 ARG CB . 17165 1 50 . 1 1 4 4 ARG CD C 13 43.786 0.064 . 1 . . . . 4 ARG CD . 17165 1 51 . 1 1 4 4 ARG CG C 13 27.293 0.124 . 1 . . . . 4 ARG CG . 17165 1 52 . 1 1 4 4 ARG N N 15 122.895 0.078 . 1 . . . . 4 ARG N . 17165 1 53 . 1 1 5 5 THR H H 1 8.479 0.006 . 1 . . . . 5 THR H . 17165 1 54 . 1 1 5 5 THR HA H 1 5.059 0.01 . 1 . . . . 5 THR HA . 17165 1 55 . 1 1 5 5 THR HB H 1 4.113 0.007 . 1 . . . . 5 THR HB . 17165 1 56 . 1 1 5 5 THR HG21 H 1 1.332 0.006 . 1 . . . . 5 THR HG21 . 17165 1 57 . 1 1 5 5 THR HG22 H 1 1.332 0.006 . 1 . . . . 5 THR HG22 . 17165 1 58 . 1 1 5 5 THR HG23 H 1 1.332 0.006 . 1 . . . . 5 THR HG23 . 17165 1 59 . 1 1 5 5 THR CA C 13 59.220 0.119 . 1 . . . . 5 THR CA . 17165 1 60 . 1 1 5 5 THR CB C 13 70.928 0.077 . 1 . . . . 5 THR CB . 17165 1 61 . 1 1 5 5 THR CG2 C 13 20.217 0.261 . 1 . . . . 5 THR CG2 . 17165 1 62 . 1 1 5 5 THR N N 15 120.199 0.039 . 1 . . . . 5 THR N . 17165 1 63 . 1 1 6 6 PRO HA H 1 4.440 0.014 . 1 . . . . 6 PRO HA . 17165 1 64 . 1 1 6 6 PRO HB2 H 1 1.546 0.014 . 1 . . . . 6 PRO HB2 . 17165 1 65 . 1 1 6 6 PRO HB3 H 1 1.546 0.014 . 1 . . . . 6 PRO HB3 . 17165 1 66 . 1 1 6 6 PRO HD2 H 1 3.696 0.012 . 1 . . . . 6 PRO HD2 . 17165 1 67 . 1 1 6 6 PRO HD3 H 1 3.096 0.016 . 1 . . . . 6 PRO HD3 . 17165 1 68 . 1 1 6 6 PRO HG2 H 1 1.708 0.013 . 1 . . . . 6 PRO HG2 . 17165 1 69 . 1 1 6 6 PRO HG3 H 1 1.131 0.01 . 1 . . . . 6 PRO HG3 . 17165 1 70 . 1 1 6 6 PRO C C 13 175.890 0.030 . 1 . . . . 6 PRO C . 17165 1 71 . 1 1 6 6 PRO CA C 13 62.687 0.076 . 1 . . . . 6 PRO CA . 17165 1 72 . 1 1 6 6 PRO CB C 13 32.056 0.136 . 1 . . . . 6 PRO CB . 17165 1 73 . 1 1 6 6 PRO CD C 13 50.457 0.056 . 1 . . . . 6 PRO CD . 17165 1 74 . 1 1 6 6 PRO CG C 13 26.903 0.052 . 1 . . . . 6 PRO CG . 17165 1 75 . 1 1 7 7 LYS H H 1 9.305 0.004 . 1 . . . . 7 LYS H . 17165 1 76 . 1 1 7 7 LYS HA H 1 4.500 0.016 . 1 . . . . 7 LYS HA . 17165 1 77 . 1 1 7 7 LYS HB2 H 1 1.794 0.011 . 1 . . . . 7 LYS HB2 . 17165 1 78 . 1 1 7 7 LYS HB3 H 1 1.794 0.011 . 1 . . . . 7 LYS HB3 . 17165 1 79 . 1 1 7 7 LYS HD2 H 1 1.653 0.005 . 1 . . . . 7 LYS HD2 . 17165 1 80 . 1 1 7 7 LYS HD3 H 1 1.653 0.005 . 1 . . . . 7 LYS HD3 . 17165 1 81 . 1 1 7 7 LYS HE2 H 1 2.978 0.011 . 1 . . . . 7 LYS HE2 . 17165 1 82 . 1 1 7 7 LYS HE3 H 1 2.978 0.011 . 1 . . . . 7 LYS HE3 . 17165 1 83 . 1 1 7 7 LYS HG2 H 1 1.524 0.027 . 1 . . . . 7 LYS HG2 . 17165 1 84 . 1 1 7 7 LYS HG3 H 1 1.426 0.006 . 1 . . . . 7 LYS HG3 . 17165 1 85 . 1 1 7 7 LYS C C 13 176.085 0.030 . 1 . . . . 7 LYS C . 17165 1 86 . 1 1 7 7 LYS CA C 13 55.914 0.061 . 1 . . . . 7 LYS CA . 17165 1 87 . 1 1 7 7 LYS CB C 13 32.780 0.105 . 1 . . . . 7 LYS CB . 17165 1 88 . 1 1 7 7 LYS CD C 13 29.044 0.095 . 1 . . . . 7 LYS CD . 17165 1 89 . 1 1 7 7 LYS CE C 13 42.181 0.11 . 1 . . . . 7 LYS CE . 17165 1 90 . 1 1 7 7 LYS CG C 13 25.169 0.078 . 1 . . . . 7 LYS CG . 17165 1 91 . 1 1 7 7 LYS N N 15 124.671 0.02 . 1 . . . . 7 LYS N . 17165 1 92 . 1 1 8 8 ILE H H 1 8.488 0.009 . 1 . . . . 8 ILE H . 17165 1 93 . 1 1 8 8 ILE HA H 1 4.739 0.015 . 1 . . . . 8 ILE HA . 17165 1 94 . 1 1 8 8 ILE HB H 1 1.662 0.01 . 1 . . . . 8 ILE HB . 17165 1 95 . 1 1 8 8 ILE HD11 H 1 0.744 0.006 . 1 . . . . 8 ILE HD11 . 17165 1 96 . 1 1 8 8 ILE HD12 H 1 0.744 0.006 . 1 . . . . 8 ILE HD12 . 17165 1 97 . 1 1 8 8 ILE HD13 H 1 0.744 0.006 . 1 . . . . 8 ILE HD13 . 17165 1 98 . 1 1 8 8 ILE HG12 H 1 1.457 0.007 . 1 . . . . 8 ILE HG12 . 17165 1 99 . 1 1 8 8 ILE HG13 H 1 0.806 0.016 . 1 . . . . 8 ILE HG13 . 17165 1 100 . 1 1 8 8 ILE HG21 H 1 0.782 0.014 . 1 . . . . 8 ILE HG21 . 17165 1 101 . 1 1 8 8 ILE HG22 H 1 0.782 0.014 . 1 . . . . 8 ILE HG22 . 17165 1 102 . 1 1 8 8 ILE HG23 H 1 0.782 0.014 . 1 . . . . 8 ILE HG23 . 17165 1 103 . 1 1 8 8 ILE C C 13 174.845 0.030 . 1 . . . . 8 ILE C . 17165 1 104 . 1 1 8 8 ILE CA C 13 61.419 0.09 . 1 . . . . 8 ILE CA . 17165 1 105 . 1 1 8 8 ILE CB C 13 41.844 0.135 . 1 . . . . 8 ILE CB . 17165 1 106 . 1 1 8 8 ILE CD1 C 13 15.181 0.153 . 1 . . . . 8 ILE CD1 . 17165 1 107 . 1 1 8 8 ILE CG1 C 13 27.784 0.164 . 1 . . . . 8 ILE CG1 . 17165 1 108 . 1 1 8 8 ILE CG2 C 13 18.323 0.171 . 1 . . . . 8 ILE CG2 . 17165 1 109 . 1 1 8 8 ILE N N 15 124.678 0.033 . 1 . . . . 8 ILE N . 17165 1 110 . 1 1 9 9 GLN H H 1 9.037 0.005 . 1 . . . . 9 GLN H . 17165 1 111 . 1 1 9 9 GLN HA H 1 4.948 0.011 . 1 . . . . 9 GLN HA . 17165 1 112 . 1 1 9 9 GLN HB2 H 1 2.418 0.01 . 1 . . . . 9 GLN HB2 . 17165 1 113 . 1 1 9 9 GLN HB3 H 1 2.235 0.014 . 1 . . . . 9 GLN HB3 . 17165 1 114 . 1 1 9 9 GLN HE21 H 1 6.722 0.007 . 1 . . . . 9 GLN HE21 . 17165 1 115 . 1 1 9 9 GLN HE22 H 1 7.612 0.001 . 1 . . . . 9 GLN HE22 . 17165 1 116 . 1 1 9 9 GLN HG2 H 1 2.448 0.015 . 1 . . . . 9 GLN HG2 . 17165 1 117 . 1 1 9 9 GLN HG3 H 1 2.446 0.017 . 1 . . . . 9 GLN HG3 . 17165 1 118 . 1 1 9 9 GLN C C 13 173.723 0.030 . 1 . . . . 9 GLN C . 17165 1 119 . 1 1 9 9 GLN CA C 13 54.939 0.062 . 1 . . . . 9 GLN CA . 17165 1 120 . 1 1 9 9 GLN CB C 13 33.276 0.109 . 1 . . . . 9 GLN CB . 17165 1 121 . 1 1 9 9 GLN CG C 13 34.371 0.079 . 1 . . . . 9 GLN CG . 17165 1 122 . 1 1 9 9 GLN N N 15 127.080 0.132 . 1 . . . . 9 GLN N . 17165 1 123 . 1 1 9 9 GLN NE2 N 15 111.561 0.036 . 1 . . . . 9 GLN NE2 . 17165 1 124 . 1 1 10 10 VAL H H 1 9.174 0.004 . 1 . . . . 10 VAL H . 17165 1 125 . 1 1 10 10 VAL HA H 1 5.368 0.013 . 1 . . . . 10 VAL HA . 17165 1 126 . 1 1 10 10 VAL HB H 1 2.059 0.01 . 1 . . . . 10 VAL HB . 17165 1 127 . 1 1 10 10 VAL HG11 H 1 0.991 0.029 . 1 . . . . 10 VAL HG11 . 17165 1 128 . 1 1 10 10 VAL HG12 H 1 0.991 0.029 . 1 . . . . 10 VAL HG12 . 17165 1 129 . 1 1 10 10 VAL HG13 H 1 0.991 0.029 . 1 . . . . 10 VAL HG13 . 17165 1 130 . 1 1 10 10 VAL HG21 H 1 0.952 0.02 . 1 . . . . 10 VAL HG21 . 17165 1 131 . 1 1 10 10 VAL HG22 H 1 0.952 0.02 . 1 . . . . 10 VAL HG22 . 17165 1 132 . 1 1 10 10 VAL HG23 H 1 0.952 0.02 . 1 . . . . 10 VAL HG23 . 17165 1 133 . 1 1 10 10 VAL C C 13 175.250 0.030 . 1 . . . . 10 VAL C . 17165 1 134 . 1 1 10 10 VAL CA C 13 60.621 0.098 . 1 . . . . 10 VAL CA . 17165 1 135 . 1 1 10 10 VAL CB C 13 34.116 0.093 . 1 . . . . 10 VAL CB . 17165 1 136 . 1 1 10 10 VAL CG1 C 13 24.273 0.118 . 1 . . . . 10 VAL CG1 . 17165 1 137 . 1 1 10 10 VAL CG2 C 13 21.052 0.132 . 1 . . . . 10 VAL CG2 . 17165 1 138 . 1 1 10 10 VAL N N 15 125.508 0.031 . 1 . . . . 10 VAL N . 17165 1 139 . 1 1 11 11 TYR H H 1 8.497 0.004 . 1 . . . . 11 TYR H . 17165 1 140 . 1 1 11 11 TYR HA H 1 5.343 0.016 . 1 . . . . 11 TYR HA . 17165 1 141 . 1 1 11 11 TYR HB2 H 1 3.437 0.013 . 1 . . . . 11 TYR HB2 . 17165 1 142 . 1 1 11 11 TYR HB3 H 1 3.193 0.016 . 1 . . . . 11 TYR HB3 . 17165 1 143 . 1 1 11 11 TYR HD1 H 1 6.847 0.015 . 3 . . . . 11 TYR HD1 . 17165 1 144 . 1 1 11 11 TYR HD2 H 1 6.847 0.015 . 3 . . . . 11 TYR HD2 . 17165 1 145 . 1 1 11 11 TYR HE1 H 1 6.589 0.012 . 3 . . . . 11 TYR HE1 . 17165 1 146 . 1 1 11 11 TYR HE2 H 1 6.589 0.012 . 3 . . . . 11 TYR HE2 . 17165 1 147 . 1 1 11 11 TYR C C 13 173.333 0.030 . 1 . . . . 11 TYR C . 17165 1 148 . 1 1 11 11 TYR CA C 13 56.239 0.056 . 1 . . . . 11 TYR CA . 17165 1 149 . 1 1 11 11 TYR CB C 13 39.235 0.106 . 1 . . . . 11 TYR CB . 17165 1 150 . 1 1 11 11 TYR CD1 C 13 134.207 0.072 . 3 . . . . 11 TYR CD1 . 17165 1 151 . 1 1 11 11 TYR CD2 C 13 134.207 0.072 . 3 . . . . 11 TYR CD2 . 17165 1 152 . 1 1 11 11 TYR CE1 C 13 117.539 0.051 . 3 . . . . 11 TYR CE1 . 17165 1 153 . 1 1 11 11 TYR CE2 C 13 117.539 0.051 . 3 . . . . 11 TYR CE2 . 17165 1 154 . 1 1 11 11 TYR N N 15 122.922 0.036 . 1 . . . . 11 TYR N . 17165 1 155 . 1 1 12 12 SER H H 1 9.438 0.005 . 1 . . . . 12 SER H . 17165 1 156 . 1 1 12 12 SER HA H 1 5.304 0.037 . 1 . . . . 12 SER HA . 17165 1 157 . 1 1 12 12 SER HB2 H 1 3.684 0.011 . 1 . . . . 12 SER HB2 . 17165 1 158 . 1 1 12 12 SER HB3 H 1 4.470 0.01 . 1 . . . . 12 SER HB3 . 17165 1 159 . 1 1 12 12 SER C C 13 174.618 0.030 . 1 . . . . 12 SER C . 17165 1 160 . 1 1 12 12 SER CA C 13 56.378 0.112 . 1 . . . . 12 SER CA . 17165 1 161 . 1 1 12 12 SER CB C 13 65.115 0.084 . 1 . . . . 12 SER CB . 17165 1 162 . 1 1 12 12 SER N N 15 116.819 0.052 . 1 . . . . 12 SER N . 17165 1 163 . 1 1 13 13 ARG H H 1 8.948 0.004 . 1 . . . . 13 ARG H . 17165 1 164 . 1 1 13 13 ARG HA H 1 3.886 0.013 . 1 . . . . 13 ARG HA . 17165 1 165 . 1 1 13 13 ARG HB2 H 1 2.008 0.008 . 1 . . . . 13 ARG HB2 . 17165 1 166 . 1 1 13 13 ARG HB3 H 1 1.771 0.016 . 1 . . . . 13 ARG HB3 . 17165 1 167 . 1 1 13 13 ARG HD2 H 1 3.093 0.008 . 1 . . . . 13 ARG HD2 . 17165 1 168 . 1 1 13 13 ARG HD3 H 1 2.776 0.023 . 1 . . . . 13 ARG HD3 . 17165 1 169 . 1 1 13 13 ARG HG2 H 1 1.428 0.022 . 1 . . . . 13 ARG HG2 . 17165 1 170 . 1 1 13 13 ARG HG3 H 1 0.844 0.017 . 1 . . . . 13 ARG HG3 . 17165 1 171 . 1 1 13 13 ARG C C 13 175.225 0.030 . 1 . . . . 13 ARG C . 17165 1 172 . 1 1 13 13 ARG CA C 13 59.268 0.057 . 1 . . . . 13 ARG CA . 17165 1 173 . 1 1 13 13 ARG CB C 13 33.315 0.105 . 1 . . . . 13 ARG CB . 17165 1 174 . 1 1 13 13 ARG CD C 13 43.833 0.062 . 1 . . . . 13 ARG CD . 17165 1 175 . 1 1 13 13 ARG CG C 13 25.202 0.111 . 1 . . . . 13 ARG CG . 17165 1 176 . 1 1 13 13 ARG N N 15 123.215 0.023 . 1 . . . . 13 ARG N . 17165 1 177 . 1 1 14 14 HIS H H 1 8.332 0.005 . 1 . . . . 14 HIS H . 17165 1 178 . 1 1 14 14 HIS HA H 1 5.370 0.011 . 1 . . . . 14 HIS HA . 17165 1 179 . 1 1 14 14 HIS HB2 H 1 3.251 0.009 . 1 . . . . 14 HIS HB2 . 17165 1 180 . 1 1 14 14 HIS HB3 H 1 2.918 0.011 . 1 . . . . 14 HIS HB3 . 17165 1 181 . 1 1 14 14 HIS HD2 H 1 7.065 0.012 . 1 . . . . 14 HIS HD2 . 17165 1 182 . 1 1 14 14 HIS HE1 H 1 7.498 0.030 . 1 . . . . 14 HIS HE1 . 17165 1 183 . 1 1 14 14 HIS CA C 13 52.495 0.131 . 1 . . . . 14 HIS CA . 17165 1 184 . 1 1 14 14 HIS CB C 13 30.438 0.176 . 1 . . . . 14 HIS CB . 17165 1 185 . 1 1 14 14 HIS CD2 C 13 121.839 0.096 . 1 . . . . 14 HIS CD2 . 17165 1 186 . 1 1 14 14 HIS N N 15 114.674 0.016 . 1 . . . . 14 HIS N . 17165 1 187 . 1 1 15 15 PRO HA H 1 4.560 0.011 . 1 . . . . 15 PRO HA . 17165 1 188 . 1 1 15 15 PRO HB2 H 1 2.462 0.008 . 1 . . . . 15 PRO HB2 . 17165 1 189 . 1 1 15 15 PRO HB3 H 1 1.959 0.008 . 1 . . . . 15 PRO HB3 . 17165 1 190 . 1 1 15 15 PRO HD2 H 1 4.120 0.007 . 1 . . . . 15 PRO HD2 . 17165 1 191 . 1 1 15 15 PRO HD3 H 1 3.822 0.014 . 1 . . . . 15 PRO HD3 . 17165 1 192 . 1 1 15 15 PRO HG2 H 1 2.275 0.008 . 1 . . . . 15 PRO HG2 . 17165 1 193 . 1 1 15 15 PRO HG3 H 1 2.108 0.013 . 1 . . . . 15 PRO HG3 . 17165 1 194 . 1 1 15 15 PRO C C 13 176.798 0.030 . 1 . . . . 15 PRO C . 17165 1 195 . 1 1 15 15 PRO CA C 13 64.093 0.069 . 1 . . . . 15 PRO CA . 17165 1 196 . 1 1 15 15 PRO CB C 13 31.395 0.083 . 1 . . . . 15 PRO CB . 17165 1 197 . 1 1 15 15 PRO CD C 13 50.848 0.078 . 1 . . . . 15 PRO CD . 17165 1 198 . 1 1 15 15 PRO CG C 13 28.122 0.144 . 1 . . . . 15 PRO CG . 17165 1 199 . 1 1 16 16 ALA H H 1 9.178 0.003 . 1 . . . . 16 ALA H . 17165 1 200 . 1 1 16 16 ALA HA H 1 4.097 0.018 . 1 . . . . 16 ALA HA . 17165 1 201 . 1 1 16 16 ALA HB1 H 1 1.726 0.011 . 1 . . . . 16 ALA HB1 . 17165 1 202 . 1 1 16 16 ALA HB2 H 1 1.726 0.011 . 1 . . . . 16 ALA HB2 . 17165 1 203 . 1 1 16 16 ALA HB3 H 1 1.726 0.011 . 1 . . . . 16 ALA HB3 . 17165 1 204 . 1 1 16 16 ALA C C 13 176.847 0.030 . 1 . . . . 16 ALA C . 17165 1 205 . 1 1 16 16 ALA CA C 13 53.184 0.072 . 1 . . . . 16 ALA CA . 17165 1 206 . 1 1 16 16 ALA CB C 13 19.955 0.111 . 1 . . . . 16 ALA CB . 17165 1 207 . 1 1 16 16 ALA N N 15 127.190 0.044 . 1 . . . . 16 ALA N . 17165 1 208 . 1 1 17 17 GLU H H 1 9.017 0.005 . 1 . . . . 17 GLU H . 17165 1 209 . 1 1 17 17 GLU HA H 1 4.411 0.013 . 1 . . . . 17 GLU HA . 17165 1 210 . 1 1 17 17 GLU HB2 H 1 1.871 0.014 . 1 . . . . 17 GLU HB2 . 17165 1 211 . 1 1 17 17 GLU HB3 H 1 1.873 0.011 . 1 . . . . 17 GLU HB3 . 17165 1 212 . 1 1 17 17 GLU HG2 H 1 2.182 0.017 . 1 . . . . 17 GLU HG2 . 17165 1 213 . 1 1 17 17 GLU HG3 H 1 2.159 0.019 . 1 . . . . 17 GLU HG3 . 17165 1 214 . 1 1 17 17 GLU C C 13 175.042 0.030 . 1 . . . . 17 GLU C . 17165 1 215 . 1 1 17 17 GLU CA C 13 55.064 0.054 . 1 . . . . 17 GLU CA . 17165 1 216 . 1 1 17 17 GLU CB C 13 32.752 0.139 . 1 . . . . 17 GLU CB . 17165 1 217 . 1 1 17 17 GLU CG C 13 36.469 0.128 . 1 . . . . 17 GLU CG . 17165 1 218 . 1 1 17 17 GLU N N 15 124.755 0.012 . 1 . . . . 17 GLU N . 17165 1 219 . 1 1 18 18 ASN H H 1 8.894 0.003 . 1 . . . . 18 ASN H . 17165 1 220 . 1 1 18 18 ASN HA H 1 4.532 0.024 . 1 . . . . 18 ASN HA . 17165 1 221 . 1 1 18 18 ASN HB2 H 1 2.805 0.015 . 1 . . . . 18 ASN HB2 . 17165 1 222 . 1 1 18 18 ASN HB3 H 1 2.677 0.012 . 1 . . . . 18 ASN HB3 . 17165 1 223 . 1 1 18 18 ASN HD21 H 1 7.612 0.001 . 1 . . . . 18 ASN HD21 . 17165 1 224 . 1 1 18 18 ASN HD22 H 1 7.252 0.002 . 1 . . . . 18 ASN HD22 . 17165 1 225 . 1 1 18 18 ASN C C 13 177.449 0.030 . 1 . . . . 18 ASN C . 17165 1 226 . 1 1 18 18 ASN CA C 13 54.257 0.053 . 1 . . . . 18 ASN CA . 17165 1 227 . 1 1 18 18 ASN CB C 13 37.013 0.091 . 1 . . . . 18 ASN CB . 17165 1 228 . 1 1 18 18 ASN CG C 13 175.143 0.009 . 1 . . . . 18 ASN CG . 17165 1 229 . 1 1 18 18 ASN N N 15 123.401 0.039 . 1 . . . . 18 ASN N . 17165 1 230 . 1 1 18 18 ASN ND2 N 15 112.302 0.127 . 1 . . . . 18 ASN ND2 . 17165 1 231 . 1 1 19 19 GLY H H 1 8.885 0.004 . 1 . . . . 19 GLY H . 17165 1 232 . 1 1 19 19 GLY HA2 H 1 3.548 0.015 . 1 . . . . 19 GLY HA2 . 17165 1 233 . 1 1 19 19 GLY HA3 H 1 4.226 0.014 . 1 . . . . 19 GLY HA3 . 17165 1 234 . 1 1 19 19 GLY C C 13 173.311 0.030 . 1 . . . . 19 GLY C . 17165 1 235 . 1 1 19 19 GLY CA C 13 45.383 0.067 . 1 . . . . 19 GLY CA . 17165 1 236 . 1 1 19 19 GLY N N 15 109.141 0.021 . 1 . . . . 19 GLY N . 17165 1 237 . 1 1 20 20 LYS H H 1 7.944 0.002 . 1 . . . . 20 LYS H . 17165 1 238 . 1 1 20 20 LYS HA H 1 4.706 0.009 . 1 . . . . 20 LYS HA . 17165 1 239 . 1 1 20 20 LYS HB2 H 1 1.836 0.017 . 1 . . . . 20 LYS HB2 . 17165 1 240 . 1 1 20 20 LYS HB3 H 1 1.793 0.012 . 1 . . . . 20 LYS HB3 . 17165 1 241 . 1 1 20 20 LYS HD2 H 1 1.650 0.008 . 1 . . . . 20 LYS HD2 . 17165 1 242 . 1 1 20 20 LYS HD3 H 1 1.579 0.006 . 1 . . . . 20 LYS HD3 . 17165 1 243 . 1 1 20 20 LYS HE2 H 1 2.947 0.013 . 1 . . . . 20 LYS HE2 . 17165 1 244 . 1 1 20 20 LYS HE3 H 1 2.947 0.013 . 1 . . . . 20 LYS HE3 . 17165 1 245 . 1 1 20 20 LYS HG2 H 1 1.357 0.018 . 1 . . . . 20 LYS HG2 . 17165 1 246 . 1 1 20 20 LYS HG3 H 1 1.304 0.009 . 1 . . . . 20 LYS HG3 . 17165 1 247 . 1 1 20 20 LYS C C 13 175.218 0.030 . 1 . . . . 20 LYS C . 17165 1 248 . 1 1 20 20 LYS CA C 13 54.138 0.117 . 1 . . . . 20 LYS CA . 17165 1 249 . 1 1 20 20 LYS CB C 13 33.645 0.096 . 1 . . . . 20 LYS CB . 17165 1 250 . 1 1 20 20 LYS CD C 13 28.623 0.074 . 1 . . . . 20 LYS CD . 17165 1 251 . 1 1 20 20 LYS CE C 13 42.148 0.052 . 1 . . . . 20 LYS CE . 17165 1 252 . 1 1 20 20 LYS CG C 13 24.434 0.096 . 1 . . . . 20 LYS CG . 17165 1 253 . 1 1 20 20 LYS N N 15 121.489 0.017 . 1 . . . . 20 LYS N . 17165 1 254 . 1 1 21 21 SER H H 1 8.461 0.003 . 1 . . . . 21 SER H . 17165 1 255 . 1 1 21 21 SER HA H 1 4.268 0.012 . 1 . . . . 21 SER HA . 17165 1 256 . 1 1 21 21 SER HB2 H 1 3.768 0.019 . 1 . . . . 21 SER HB2 . 17165 1 257 . 1 1 21 21 SER HB3 H 1 3.737 0.007 . 1 . . . . 21 SER HB3 . 17165 1 258 . 1 1 21 21 SER C C 13 173.392 0.030 . 1 . . . . 21 SER C . 17165 1 259 . 1 1 21 21 SER CA C 13 59.730 0.066 . 1 . . . . 21 SER CA . 17165 1 260 . 1 1 21 21 SER CB C 13 62.957 0.076 . 1 . . . . 21 SER CB . 17165 1 261 . 1 1 21 21 SER N N 15 120.075 0.015 . 1 . . . . 21 SER N . 17165 1 262 . 1 1 22 22 ASN H H 1 8.982 0.003 . 1 . . . . 22 ASN H . 17165 1 263 . 1 1 22 22 ASN HA H 1 4.935 0.012 . 1 . . . . 22 ASN HA . 17165 1 264 . 1 1 22 22 ASN HB2 H 1 2.792 0.012 . 1 . . . . 22 ASN HB2 . 17165 1 265 . 1 1 22 22 ASN HB3 H 1 2.567 0.014 . 1 . . . . 22 ASN HB3 . 17165 1 266 . 1 1 22 22 ASN HD21 H 1 7.498 0.007 . 1 . . . . 22 ASN HD21 . 17165 1 267 . 1 1 22 22 ASN HD22 H 1 7.803 0.006 . 1 . . . . 22 ASN HD22 . 17165 1 268 . 1 1 22 22 ASN C C 13 173.739 0.030 . 1 . . . . 22 ASN C . 17165 1 269 . 1 1 22 22 ASN CA C 13 51.178 0.061 . 1 . . . . 22 ASN CA . 17165 1 270 . 1 1 22 22 ASN CB C 13 42.043 0.062 . 1 . . . . 22 ASN CB . 17165 1 271 . 1 1 22 22 ASN N N 15 127.353 0.033 . 1 . . . . 22 ASN N . 17165 1 272 . 1 1 22 22 ASN ND2 N 15 112.068 0.081 . 1 . . . . 22 ASN ND2 . 17165 1 273 . 1 1 23 23 PHE H H 1 10.451 0.006 . 1 . . . . 23 PHE H . 17165 1 274 . 1 1 23 23 PHE HA H 1 5.458 0.012 . 1 . . . . 23 PHE HA . 17165 1 275 . 1 1 23 23 PHE HB2 H 1 2.713 0.019 . 1 . . . . 23 PHE HB2 . 17165 1 276 . 1 1 23 23 PHE HB3 H 1 2.619 0.017 . 1 . . . . 23 PHE HB3 . 17165 1 277 . 1 1 23 23 PHE HD1 H 1 7.044 0.013 . 3 . . . . 23 PHE HD1 . 17165 1 278 . 1 1 23 23 PHE HD2 H 1 7.044 0.013 . 3 . . . . 23 PHE HD2 . 17165 1 279 . 1 1 23 23 PHE HE1 H 1 7.428 0.008 . 3 . . . . 23 PHE HE1 . 17165 1 280 . 1 1 23 23 PHE HE2 H 1 7.428 0.008 . 3 . . . . 23 PHE HE2 . 17165 1 281 . 1 1 23 23 PHE HZ H 1 7.347 0.008 . 1 . . . . 23 PHE HZ . 17165 1 282 . 1 1 23 23 PHE C C 13 173.382 0.030 . 1 . . . . 23 PHE C . 17165 1 283 . 1 1 23 23 PHE CA C 13 57.666 0.047 . 1 . . . . 23 PHE CA . 17165 1 284 . 1 1 23 23 PHE CB C 13 43.412 0.117 . 1 . . . . 23 PHE CB . 17165 1 285 . 1 1 23 23 PHE CD1 C 13 130.806 0.105 . 3 . . . . 23 PHE CD1 . 17165 1 286 . 1 1 23 23 PHE CD2 C 13 130.806 0.105 . 3 . . . . 23 PHE CD2 . 17165 1 287 . 1 1 23 23 PHE CE1 C 13 131.787 0.074 . 3 . . . . 23 PHE CE1 . 17165 1 288 . 1 1 23 23 PHE CE2 C 13 131.787 0.074 . 3 . . . . 23 PHE CE2 . 17165 1 289 . 1 1 23 23 PHE CZ C 13 130.039 0.056 . 1 . . . . 23 PHE CZ . 17165 1 290 . 1 1 23 23 PHE N N 15 119.877 0.087 . 1 . . . . 23 PHE N . 17165 1 291 . 1 1 24 24 LEU H H 1 9.047 0.004 . 1 . . . . 24 LEU H . 17165 1 292 . 1 1 24 24 LEU HA H 1 3.689 0.01 . 1 . . . . 24 LEU HA . 17165 1 293 . 1 1 24 24 LEU HB2 H 1 0.818 0.012 . 1 . . . . 24 LEU HB2 . 17165 1 294 . 1 1 24 24 LEU HB3 H 1 -0.839 0.015 . 1 . . . . 24 LEU HB3 . 17165 1 295 . 1 1 24 24 LEU HD11 H 1 0.042 0.009 . 1 . . . . 24 LEU HD11 . 17165 1 296 . 1 1 24 24 LEU HD12 H 1 0.042 0.009 . 1 . . . . 24 LEU HD12 . 17165 1 297 . 1 1 24 24 LEU HD13 H 1 0.042 0.009 . 1 . . . . 24 LEU HD13 . 17165 1 298 . 1 1 24 24 LEU HD21 H 1 -0.560 0.014 . 1 . . . . 24 LEU HD21 . 17165 1 299 . 1 1 24 24 LEU HD22 H 1 -0.560 0.014 . 1 . . . . 24 LEU HD22 . 17165 1 300 . 1 1 24 24 LEU HD23 H 1 -0.560 0.014 . 1 . . . . 24 LEU HD23 . 17165 1 301 . 1 1 24 24 LEU HG H 1 0.689 0.016 . 1 . . . . 24 LEU HG . 17165 1 302 . 1 1 24 24 LEU C C 13 173.154 0.030 . 1 . . . . 24 LEU C . 17165 1 303 . 1 1 24 24 LEU CA C 13 53.192 0.093 . 1 . . . . 24 LEU CA . 17165 1 304 . 1 1 24 24 LEU CB C 13 41.632 0.116 . 1 . . . . 24 LEU CB . 17165 1 305 . 1 1 24 24 LEU CD1 C 13 26.184 0.144 . 1 . . . . 24 LEU CD1 . 17165 1 306 . 1 1 24 24 LEU CD2 C 13 20.745 0.117 . 1 . . . . 24 LEU CD2 . 17165 1 307 . 1 1 24 24 LEU CG C 13 26.031 0.088 . 1 . . . . 24 LEU CG . 17165 1 308 . 1 1 24 24 LEU N N 15 127.055 0.058 . 1 . . . . 24 LEU N . 17165 1 309 . 1 1 25 25 ASN H H 1 8.185 0.003 . 1 . . . . 25 ASN H . 17165 1 310 . 1 1 25 25 ASN HA H 1 5.435 0.016 . 1 . . . . 25 ASN HA . 17165 1 311 . 1 1 25 25 ASN HB2 H 1 1.861 0.015 . 1 . . . . 25 ASN HB2 . 17165 1 312 . 1 1 25 25 ASN HB3 H 1 1.431 0.019 . 1 . . . . 25 ASN HB3 . 17165 1 313 . 1 1 25 25 ASN C C 13 173.420 0.030 . 1 . . . . 25 ASN C . 17165 1 314 . 1 1 25 25 ASN CA C 13 51.560 0.04 . 1 . . . . 25 ASN CA . 17165 1 315 . 1 1 25 25 ASN CB C 13 41.539 0.087 . 1 . . . . 25 ASN CB . 17165 1 316 . 1 1 25 25 ASN N N 15 121.535 0.065 . 1 . . . . 25 ASN N . 17165 1 317 . 1 1 26 26 CYS H H 1 9.656 0.003 . 1 . . . . 26 CYS H . 17165 1 318 . 1 1 26 26 CYS HA H 1 5.191 0.024 . 1 . . . . 26 CYS HA . 17165 1 319 . 1 1 26 26 CYS HB2 H 1 3.308 0.017 . 1 . . . . 26 CYS HB2 . 17165 1 320 . 1 1 26 26 CYS HB3 H 1 2.571 0.009 . 1 . . . . 26 CYS HB3 . 17165 1 321 . 1 1 26 26 CYS C C 13 171.485 0.030 . 1 . . . . 26 CYS C . 17165 1 322 . 1 1 26 26 CYS CA C 13 53.889 0.056 . 1 . . . . 26 CYS CA . 17165 1 323 . 1 1 26 26 CYS CB C 13 41.567 0.134 . 1 . . . . 26 CYS CB . 17165 1 324 . 1 1 26 26 CYS N N 15 120.694 0.035 . 1 . . . . 26 CYS N . 17165 1 325 . 1 1 27 27 TYR H H 1 9.737 0.008 . 1 . . . . 27 TYR H . 17165 1 326 . 1 1 27 27 TYR HA H 1 5.484 0.015 . 1 . . . . 27 TYR HA . 17165 1 327 . 1 1 27 27 TYR HB2 H 1 3.232 0.02 . 1 . . . . 27 TYR HB2 . 17165 1 328 . 1 1 27 27 TYR HB3 H 1 3.232 0.02 . 1 . . . . 27 TYR HB3 . 17165 1 329 . 1 1 27 27 TYR HD1 H 1 7.253 0.009 . 3 . . . . 27 TYR HD1 . 17165 1 330 . 1 1 27 27 TYR HD2 H 1 7.253 0.009 . 3 . . . . 27 TYR HD2 . 17165 1 331 . 1 1 27 27 TYR HE1 H 1 6.689 0.006 . 3 . . . . 27 TYR HE1 . 17165 1 332 . 1 1 27 27 TYR HE2 H 1 6.689 0.006 . 3 . . . . 27 TYR HE2 . 17165 1 333 . 1 1 27 27 TYR C C 13 174.413 0.030 . 1 . . . . 27 TYR C . 17165 1 334 . 1 1 27 27 TYR CA C 13 56.160 0.067 . 1 . . . . 27 TYR CA . 17165 1 335 . 1 1 27 27 TYR CB C 13 40.866 0.09 . 1 . . . . 27 TYR CB . 17165 1 336 . 1 1 27 27 TYR CD1 C 13 133.036 0.048 . 3 . . . . 27 TYR CD1 . 17165 1 337 . 1 1 27 27 TYR CD2 C 13 133.036 0.048 . 3 . . . . 27 TYR CD2 . 17165 1 338 . 1 1 27 27 TYR CE1 C 13 117.718 0.07 . 3 . . . . 27 TYR CE1 . 17165 1 339 . 1 1 27 27 TYR CE2 C 13 117.718 0.07 . 3 . . . . 27 TYR CE2 . 17165 1 340 . 1 1 27 27 TYR N N 15 129.683 0.052 . 1 . . . . 27 TYR N . 17165 1 341 . 1 1 28 28 VAL H H 1 8.862 0.005 . 1 . . . . 28 VAL H . 17165 1 342 . 1 1 28 28 VAL HA H 1 5.211 0.009 . 1 . . . . 28 VAL HA . 17165 1 343 . 1 1 28 28 VAL HB H 1 1.939 0.015 . 1 . . . . 28 VAL HB . 17165 1 344 . 1 1 28 28 VAL HG11 H 1 0.777 0.01 . 1 . . . . 28 VAL HG11 . 17165 1 345 . 1 1 28 28 VAL HG12 H 1 0.777 0.01 . 1 . . . . 28 VAL HG12 . 17165 1 346 . 1 1 28 28 VAL HG13 H 1 0.777 0.01 . 1 . . . . 28 VAL HG13 . 17165 1 347 . 1 1 28 28 VAL HG21 H 1 0.949 0.007 . 1 . . . . 28 VAL HG21 . 17165 1 348 . 1 1 28 28 VAL HG22 H 1 0.949 0.007 . 1 . . . . 28 VAL HG22 . 17165 1 349 . 1 1 28 28 VAL HG23 H 1 0.949 0.007 . 1 . . . . 28 VAL HG23 . 17165 1 350 . 1 1 28 28 VAL C C 13 174.261 0.030 . 1 . . . . 28 VAL C . 17165 1 351 . 1 1 28 28 VAL CA C 13 59.835 0.084 . 1 . . . . 28 VAL CA . 17165 1 352 . 1 1 28 28 VAL CB C 13 33.587 0.112 . 1 . . . . 28 VAL CB . 17165 1 353 . 1 1 28 28 VAL CG1 C 13 23.697 0.135 . 1 . . . . 28 VAL CG1 . 17165 1 354 . 1 1 28 28 VAL CG2 C 13 21.978 0.139 . 1 . . . . 28 VAL CG2 . 17165 1 355 . 1 1 28 28 VAL N N 15 129.090 0.022 . 1 . . . . 28 VAL N . 17165 1 356 . 1 1 29 29 SER H H 1 8.997 0.005 . 1 . . . . 29 SER H . 17165 1 357 . 1 1 29 29 SER HA H 1 5.713 0.03 . 1 . . . . 29 SER HA . 17165 1 358 . 1 1 29 29 SER HB2 H 1 3.833 0.028 . 1 . . . . 29 SER HB2 . 17165 1 359 . 1 1 29 29 SER HB3 H 1 3.406 0.009 . 1 . . . . 29 SER HB3 . 17165 1 360 . 1 1 29 29 SER C C 13 174.389 0.030 . 1 . . . . 29 SER C . 17165 1 361 . 1 1 29 29 SER CA C 13 57.092 0.076 . 1 . . . . 29 SER CA . 17165 1 362 . 1 1 29 29 SER CB C 13 67.512 0.066 . 1 . . . . 29 SER CB . 17165 1 363 . 1 1 29 29 SER N N 15 117.477 0.054 . 1 . . . . 29 SER N . 17165 1 364 . 1 1 30 30 GLY H H 1 8.215 0.009 . 1 . . . . 30 GLY H . 17165 1 365 . 1 1 30 30 GLY HA2 H 1 4.116 0.012 . 1 . . . . 30 GLY HA2 . 17165 1 366 . 1 1 30 30 GLY HA3 H 1 3.859 0.016 . 1 . . . . 30 GLY HA3 . 17165 1 367 . 1 1 30 30 GLY C C 13 173.420 0.030 . 1 . . . . 30 GLY C . 17165 1 368 . 1 1 30 30 GLY CA C 13 46.459 0.094 . 1 . . . . 30 GLY CA . 17165 1 369 . 1 1 30 30 GLY N N 15 108.185 0.109 . 1 . . . . 30 GLY N . 17165 1 370 . 1 1 31 31 PHE H H 1 7.241 0.009 . 1 . . . . 31 PHE H . 17165 1 371 . 1 1 31 31 PHE HA H 1 4.902 0.016 . 1 . . . . 31 PHE HA . 17165 1 372 . 1 1 31 31 PHE HB2 H 1 2.377 0.019 . 1 . . . . 31 PHE HB2 . 17165 1 373 . 1 1 31 31 PHE HB3 H 1 2.013 0.013 . 1 . . . . 31 PHE HB3 . 17165 1 374 . 1 1 31 31 PHE HD1 H 1 7.041 0.012 . 3 . . . . 31 PHE HD1 . 17165 1 375 . 1 1 31 31 PHE HD2 H 1 7.041 0.012 . 3 . . . . 31 PHE HD2 . 17165 1 376 . 1 1 31 31 PHE HE1 H 1 7.306 0.009 . 3 . . . . 31 PHE HE1 . 17165 1 377 . 1 1 31 31 PHE HE2 H 1 7.306 0.009 . 3 . . . . 31 PHE HE2 . 17165 1 378 . 1 1 31 31 PHE HZ H 1 6.994 0.015 . 1 . . . . 31 PHE HZ . 17165 1 379 . 1 1 31 31 PHE C C 13 174.352 0.030 . 1 . . . . 31 PHE C . 17165 1 380 . 1 1 31 31 PHE CA C 13 53.902 0.076 . 1 . . . . 31 PHE CA . 17165 1 381 . 1 1 31 31 PHE CB C 13 42.043 0.068 . 1 . . . . 31 PHE CB . 17165 1 382 . 1 1 31 31 PHE CE1 C 13 132.091 0.051 . 3 . . . . 31 PHE CE1 . 17165 1 383 . 1 1 31 31 PHE CE2 C 13 132.091 0.051 . 3 . . . . 31 PHE CE2 . 17165 1 384 . 1 1 31 31 PHE CZ C 13 129.634 0.013 . 1 . . . . 31 PHE CZ . 17165 1 385 . 1 1 31 31 PHE N N 15 111.047 0.036 . 1 . . . . 31 PHE N . 17165 1 386 . 1 1 32 32 HIS H H 1 8.718 0.016 . 1 . . . . 32 HIS H . 17165 1 387 . 1 1 32 32 HIS HA H 1 4.544 0.007 . 1 . . . . 32 HIS HA . 17165 1 388 . 1 1 32 32 HIS HB2 H 1 3.354 0.02 . 1 . . . . 32 HIS HB2 . 17165 1 389 . 1 1 32 32 HIS HB3 H 1 3.183 0.014 . 1 . . . . 32 HIS HB3 . 17165 1 390 . 1 1 32 32 HIS CA C 13 57.968 0.062 . 1 . . . . 32 HIS CA . 17165 1 391 . 1 1 32 32 HIS CB C 13 34.137 0.077 . 1 . . . . 32 HIS CB . 17165 1 392 . 1 1 32 32 HIS N N 15 119.846 0.036 . 1 . . . . 32 HIS N . 17165 1 393 . 1 1 33 33 PRO HA H 1 3.818 0.015 . 1 . . . . 33 PRO HA . 17165 1 394 . 1 1 33 33 PRO HB2 H 1 2.417 0.017 . 1 . . . . 33 PRO HB2 . 17165 1 395 . 1 1 33 33 PRO HB3 H 1 2.410 0.023 . 1 . . . . 33 PRO HB3 . 17165 1 396 . 1 1 33 33 PRO HD2 H 1 3.721 0.031 . 1 . . . . 33 PRO HD2 . 17165 1 397 . 1 1 33 33 PRO HD3 H 1 3.677 0.018 . 1 . . . . 33 PRO HD3 . 17165 1 398 . 1 1 33 33 PRO HG2 H 1 2.045 0.012 . 1 . . . . 33 PRO HG2 . 17165 1 399 . 1 1 33 33 PRO HG3 H 1 1.701 0.014 . 1 . . . . 33 PRO HG3 . 17165 1 400 . 1 1 33 33 PRO C C 13 176.721 0.030 . 1 . . . . 33 PRO C . 17165 1 401 . 1 1 33 33 PRO CA C 13 62.580 0.117 . 1 . . . . 33 PRO CA . 17165 1 402 . 1 1 33 33 PRO CB C 13 34.994 0.107 . 1 . . . . 33 PRO CB . 17165 1 403 . 1 1 33 33 PRO CD C 13 50.504 0.095 . 1 . . . . 33 PRO CD . 17165 1 404 . 1 1 33 33 PRO CG C 13 25.014 0.126 . 1 . . . . 33 PRO CG . 17165 1 405 . 1 1 34 34 SER H H 1 8.372 0.004 . 1 . . . . 34 SER H . 17165 1 406 . 1 1 34 34 SER HA H 1 3.554 0.012 . 1 . . . . 34 SER HA . 17165 1 407 . 1 1 34 34 SER HB2 H 1 3.290 0.01 . 1 . . . . 34 SER HB2 . 17165 1 408 . 1 1 34 34 SER HB3 H 1 1.760 0.029 . 1 . . . . 34 SER HB3 . 17165 1 409 . 1 1 34 34 SER C C 13 173.689 0.030 . 1 . . . . 34 SER C . 17165 1 410 . 1 1 34 34 SER CA C 13 60.847 0.067 . 1 . . . . 34 SER CA . 17165 1 411 . 1 1 34 34 SER CB C 13 62.282 0.078 . 1 . . . . 34 SER CB . 17165 1 412 . 1 1 34 34 SER N N 15 112.232 0.033 . 1 . . . . 34 SER N . 17165 1 413 . 1 1 35 35 ASP H H 1 7.264 0.009 . 1 . . . . 35 ASP H . 17165 1 414 . 1 1 35 35 ASP HA H 1 4.381 0.019 . 1 . . . . 35 ASP HA . 17165 1 415 . 1 1 35 35 ASP HB2 H 1 2.433 0.04 . 1 . . . . 35 ASP HB2 . 17165 1 416 . 1 1 35 35 ASP HB3 H 1 2.355 0.017 . 1 . . . . 35 ASP HB3 . 17165 1 417 . 1 1 35 35 ASP C C 13 173.979 0.030 . 1 . . . . 35 ASP C . 17165 1 418 . 1 1 35 35 ASP CA C 13 54.930 0.121 . 1 . . . . 35 ASP CA . 17165 1 419 . 1 1 35 35 ASP CB C 13 40.391 0.135 . 1 . . . . 35 ASP CB . 17165 1 420 . 1 1 35 35 ASP N N 15 120.204 0.042 . 1 . . . . 35 ASP N . 17165 1 421 . 1 1 36 36 ILE H H 1 8.003 0.004 . 1 . . . . 36 ILE H . 17165 1 422 . 1 1 36 36 ILE HA H 1 4.594 0.011 . 1 . . . . 36 ILE HA . 17165 1 423 . 1 1 36 36 ILE HB H 1 1.425 0.013 . 1 . . . . 36 ILE HB . 17165 1 424 . 1 1 36 36 ILE HD11 H 1 -0.508 0.016 . 1 . . . . 36 ILE HD11 . 17165 1 425 . 1 1 36 36 ILE HD12 H 1 -0.508 0.016 . 1 . . . . 36 ILE HD12 . 17165 1 426 . 1 1 36 36 ILE HD13 H 1 -0.508 0.016 . 1 . . . . 36 ILE HD13 . 17165 1 427 . 1 1 36 36 ILE HG12 H 1 1.533 0.012 . 1 . . . . 36 ILE HG12 . 17165 1 428 . 1 1 36 36 ILE HG13 H 1 0.685 0.017 . 1 . . . . 36 ILE HG13 . 17165 1 429 . 1 1 36 36 ILE HG21 H 1 0.618 0.013 . 1 . . . . 36 ILE HG21 . 17165 1 430 . 1 1 36 36 ILE HG22 H 1 0.618 0.013 . 1 . . . . 36 ILE HG22 . 17165 1 431 . 1 1 36 36 ILE HG23 H 1 0.618 0.013 . 1 . . . . 36 ILE HG23 . 17165 1 432 . 1 1 36 36 ILE C C 13 171.756 0.030 . 1 . . . . 36 ILE C . 17165 1 433 . 1 1 36 36 ILE CA C 13 60.909 0.064 . 1 . . . . 36 ILE CA . 17165 1 434 . 1 1 36 36 ILE CB C 13 40.991 0.119 . 1 . . . . 36 ILE CB . 17165 1 435 . 1 1 36 36 ILE CD1 C 13 13.074 0.154 . 1 . . . . 36 ILE CD1 . 17165 1 436 . 1 1 36 36 ILE CG1 C 13 28.833 0.14 . 1 . . . . 36 ILE CG1 . 17165 1 437 . 1 1 36 36 ILE CG2 C 13 15.221 0.167 . 1 . . . . 36 ILE CG2 . 17165 1 438 . 1 1 36 36 ILE N N 15 123.639 0.023 . 1 . . . . 36 ILE N . 17165 1 439 . 1 1 37 37 GLU H H 1 8.047 0.007 . 1 . . . . 37 GLU H . 17165 1 440 . 1 1 37 37 GLU HA H 1 4.609 0.008 . 1 . . . . 37 GLU HA . 17165 1 441 . 1 1 37 37 GLU HB2 H 1 1.921 0.011 . 1 . . . . 37 GLU HB2 . 17165 1 442 . 1 1 37 37 GLU HB3 H 1 1.747 0.011 . 1 . . . . 37 GLU HB3 . 17165 1 443 . 1 1 37 37 GLU HG2 H 1 2.089 0.01 . 1 . . . . 37 GLU HG2 . 17165 1 444 . 1 1 37 37 GLU HG3 H 1 2.091 0.008 . 1 . . . . 37 GLU HG3 . 17165 1 445 . 1 1 37 37 GLU C C 13 174.198 0.030 . 1 . . . . 37 GLU C . 17165 1 446 . 1 1 37 37 GLU CA C 13 54.919 0.116 . 1 . . . . 37 GLU CA . 17165 1 447 . 1 1 37 37 GLU CB C 13 32.676 0.099 . 1 . . . . 37 GLU CB . 17165 1 448 . 1 1 37 37 GLU CG C 13 35.876 0.106 . 1 . . . . 37 GLU CG . 17165 1 449 . 1 1 37 37 GLU N N 15 125.553 0.067 . 1 . . . . 37 GLU N . 17165 1 450 . 1 1 38 38 VAL H H 1 8.049 0.003 . 1 . . . . 38 VAL H . 17165 1 451 . 1 1 38 38 VAL HA H 1 4.647 0.017 . 1 . . . . 38 VAL HA . 17165 1 452 . 1 1 38 38 VAL HB H 1 0.405 0.026 . 1 . . . . 38 VAL HB . 17165 1 453 . 1 1 38 38 VAL HG11 H 1 0.514 0.021 . 1 . . . . 38 VAL HG11 . 17165 1 454 . 1 1 38 38 VAL HG12 H 1 0.514 0.021 . 1 . . . . 38 VAL HG12 . 17165 1 455 . 1 1 38 38 VAL HG13 H 1 0.514 0.021 . 1 . . . . 38 VAL HG13 . 17165 1 456 . 1 1 38 38 VAL HG21 H 1 0.264 0.011 . 1 . . . . 38 VAL HG21 . 17165 1 457 . 1 1 38 38 VAL HG22 H 1 0.264 0.011 . 1 . . . . 38 VAL HG22 . 17165 1 458 . 1 1 38 38 VAL HG23 H 1 0.264 0.011 . 1 . . . . 38 VAL HG23 . 17165 1 459 . 1 1 38 38 VAL C C 13 173.371 0.030 . 1 . . . . 38 VAL C . 17165 1 460 . 1 1 38 38 VAL CA C 13 60.788 0.091 . 1 . . . . 38 VAL CA . 17165 1 461 . 1 1 38 38 VAL CB C 13 34.094 0.107 . 1 . . . . 38 VAL CB . 17165 1 462 . 1 1 38 38 VAL CG1 C 13 21.760 0.178 . 1 . . . . 38 VAL CG1 . 17165 1 463 . 1 1 38 38 VAL CG2 C 13 21.603 0.12 . 1 . . . . 38 VAL CG2 . 17165 1 464 . 1 1 38 38 VAL N N 15 125.090 0.059 . 1 . . . . 38 VAL N . 17165 1 465 . 1 1 39 39 ASP H H 1 8.857 0.012 . 1 . . . . 39 ASP H . 17165 1 466 . 1 1 39 39 ASP HA H 1 4.978 0.015 . 1 . . . . 39 ASP HA . 17165 1 467 . 1 1 39 39 ASP HB2 H 1 2.428 0.011 . 1 . . . . 39 ASP HB2 . 17165 1 468 . 1 1 39 39 ASP HB3 H 1 2.193 0.015 . 1 . . . . 39 ASP HB3 . 17165 1 469 . 1 1 39 39 ASP C C 13 174.269 0.030 . 1 . . . . 39 ASP C . 17165 1 470 . 1 1 39 39 ASP CA C 13 52.609 0.049 . 1 . . . . 39 ASP CA . 17165 1 471 . 1 1 39 39 ASP CB C 13 46.148 0.119 . 1 . . . . 39 ASP CB . 17165 1 472 . 1 1 39 39 ASP N N 15 122.548 0.031 . 1 . . . . 39 ASP N . 17165 1 473 . 1 1 40 40 LEU H H 1 9.130 0.016 . 1 . . . . 40 LEU H . 17165 1 474 . 1 1 40 40 LEU HA H 1 5.034 0.015 . 1 . . . . 40 LEU HA . 17165 1 475 . 1 1 40 40 LEU HB2 H 1 1.702 0.008 . 1 . . . . 40 LEU HB2 . 17165 1 476 . 1 1 40 40 LEU HB3 H 1 1.237 0.008 . 1 . . . . 40 LEU HB3 . 17165 1 477 . 1 1 40 40 LEU HD11 H 1 0.751 0.01 . 1 . . . . 40 LEU HD11 . 17165 1 478 . 1 1 40 40 LEU HD12 H 1 0.751 0.01 . 1 . . . . 40 LEU HD12 . 17165 1 479 . 1 1 40 40 LEU HD13 H 1 0.751 0.01 . 1 . . . . 40 LEU HD13 . 17165 1 480 . 1 1 40 40 LEU HD21 H 1 0.772 0.007 . 1 . . . . 40 LEU HD21 . 17165 1 481 . 1 1 40 40 LEU HD22 H 1 0.772 0.007 . 1 . . . . 40 LEU HD22 . 17165 1 482 . 1 1 40 40 LEU HD23 H 1 0.772 0.007 . 1 . . . . 40 LEU HD23 . 17165 1 483 . 1 1 40 40 LEU HG H 1 1.629 0.009 . 1 . . . . 40 LEU HG . 17165 1 484 . 1 1 40 40 LEU C C 13 174.483 0.030 . 1 . . . . 40 LEU C . 17165 1 485 . 1 1 40 40 LEU CA C 13 53.564 0.108 . 1 . . . . 40 LEU CA . 17165 1 486 . 1 1 40 40 LEU CB C 13 43.753 0.117 . 1 . . . . 40 LEU CB . 17165 1 487 . 1 1 40 40 LEU CD1 C 13 26.186 0.135 . 1 . . . . 40 LEU CD1 . 17165 1 488 . 1 1 40 40 LEU CD2 C 13 24.834 0.161 . 1 . . . . 40 LEU CD2 . 17165 1 489 . 1 1 40 40 LEU CG C 13 27.626 0.112 . 1 . . . . 40 LEU CG . 17165 1 490 . 1 1 40 40 LEU N N 15 121.029 0.032 . 1 . . . . 40 LEU N . 17165 1 491 . 1 1 41 41 LEU H H 1 9.009 0.005 . 1 . . . . 41 LEU H . 17165 1 492 . 1 1 41 41 LEU HA H 1 5.014 0.014 . 1 . . . . 41 LEU HA . 17165 1 493 . 1 1 41 41 LEU HB2 H 1 1.602 0.012 . 1 . . . . 41 LEU HB2 . 17165 1 494 . 1 1 41 41 LEU HB3 H 1 0.799 0.017 . 1 . . . . 41 LEU HB3 . 17165 1 495 . 1 1 41 41 LEU HD11 H 1 0.611 0.016 . 1 . . . . 41 LEU HD11 . 17165 1 496 . 1 1 41 41 LEU HD12 H 1 0.611 0.016 . 1 . . . . 41 LEU HD12 . 17165 1 497 . 1 1 41 41 LEU HD13 H 1 0.611 0.016 . 1 . . . . 41 LEU HD13 . 17165 1 498 . 1 1 41 41 LEU HD21 H 1 0.408 0.015 . 1 . . . . 41 LEU HD21 . 17165 1 499 . 1 1 41 41 LEU HD22 H 1 0.408 0.015 . 1 . . . . 41 LEU HD22 . 17165 1 500 . 1 1 41 41 LEU HD23 H 1 0.408 0.015 . 1 . . . . 41 LEU HD23 . 17165 1 501 . 1 1 41 41 LEU HG H 1 1.202 0.013 . 1 . . . . 41 LEU HG . 17165 1 502 . 1 1 41 41 LEU C C 13 175.371 0.030 . 1 . . . . 41 LEU C . 17165 1 503 . 1 1 41 41 LEU CA C 13 52.822 0.101 . 1 . . . . 41 LEU CA . 17165 1 504 . 1 1 41 41 LEU CB C 13 45.571 0.154 . 1 . . . . 41 LEU CB . 17165 1 505 . 1 1 41 41 LEU CD1 C 13 26.080 0.142 . 1 . . . . 41 LEU CD1 . 17165 1 506 . 1 1 41 41 LEU CD2 C 13 22.345 0.151 . 1 . . . . 41 LEU CD2 . 17165 1 507 . 1 1 41 41 LEU CG C 13 26.871 0.061 . 1 . . . . 41 LEU CG . 17165 1 508 . 1 1 41 41 LEU N N 15 120.142 0.023 . 1 . . . . 41 LEU N . 17165 1 509 . 1 1 42 42 LYS H H 1 8.851 0.004 . 1 . . . . 42 LYS H . 17165 1 510 . 1 1 42 42 LYS HA H 1 4.401 0.016 . 1 . . . . 42 LYS HA . 17165 1 511 . 1 1 42 42 LYS HB2 H 1 1.757 0.01 . 1 . . . . 42 LYS HB2 . 17165 1 512 . 1 1 42 42 LYS HB3 H 1 1.471 0.014 . 1 . . . . 42 LYS HB3 . 17165 1 513 . 1 1 42 42 LYS HD2 H 1 1.771 0.014 . 1 . . . . 42 LYS HD2 . 17165 1 514 . 1 1 42 42 LYS HD3 H 1 1.632 0.009 . 1 . . . . 42 LYS HD3 . 17165 1 515 . 1 1 42 42 LYS HE2 H 1 2.991 0.009 . 1 . . . . 42 LYS HE2 . 17165 1 516 . 1 1 42 42 LYS HE3 H 1 2.991 0.009 . 1 . . . . 42 LYS HE3 . 17165 1 517 . 1 1 42 42 LYS HG2 H 1 0.816 0.012 . 1 . . . . 42 LYS HG2 . 17165 1 518 . 1 1 42 42 LYS HG3 H 1 0.560 0.011 . 1 . . . . 42 LYS HG3 . 17165 1 519 . 1 1 42 42 LYS C C 13 176.391 0.030 . 1 . . . . 42 LYS C . 17165 1 520 . 1 1 42 42 LYS CA C 13 54.224 0.036 . 1 . . . . 42 LYS CA . 17165 1 521 . 1 1 42 42 LYS CB C 13 34.270 0.074 . 1 . . . . 42 LYS CB . 17165 1 522 . 1 1 42 42 LYS CD C 13 29.781 0.031 . 1 . . . . 42 LYS CD . 17165 1 523 . 1 1 42 42 LYS CE C 13 41.944 0.031 . 1 . . . . 42 LYS CE . 17165 1 524 . 1 1 42 42 LYS CG C 13 25.282 0.12 . 1 . . . . 42 LYS CG . 17165 1 525 . 1 1 42 42 LYS N N 15 120.847 0.027 . 1 . . . . 42 LYS N . 17165 1 526 . 1 1 43 43 ASN H H 1 9.808 0.004 . 1 . . . . 43 ASN H . 17165 1 527 . 1 1 43 43 ASN HA H 1 4.387 0.014 . 1 . . . . 43 ASN HA . 17165 1 528 . 1 1 43 43 ASN HB2 H 1 2.892 0.028 . 1 . . . . 43 ASN HB2 . 17165 1 529 . 1 1 43 43 ASN HB3 H 1 2.867 0.013 . 1 . . . . 43 ASN HB3 . 17165 1 530 . 1 1 43 43 ASN HD21 H 1 7.850 0.001 . 1 . . . . 43 ASN HD21 . 17165 1 531 . 1 1 43 43 ASN HD22 H 1 8.010 0.001 . 1 . . . . 43 ASN HD22 . 17165 1 532 . 1 1 43 43 ASN C C 13 175.602 0.030 . 1 . . . . 43 ASN C . 17165 1 533 . 1 1 43 43 ASN CA C 13 54.457 0.056 . 1 . . . . 43 ASN CA . 17165 1 534 . 1 1 43 43 ASN CB C 13 37.340 0.088 . 1 . . . . 43 ASN CB . 17165 1 535 . 1 1 43 43 ASN N N 15 128.442 0.046 . 1 . . . . 43 ASN N . 17165 1 536 . 1 1 43 43 ASN ND2 N 15 118.199 0.006 . 1 . . . . 43 ASN ND2 . 17165 1 537 . 1 1 44 44 GLY H H 1 8.931 0.017 . 1 . . . . 44 GLY H . 17165 1 538 . 1 1 44 44 GLY HA2 H 1 4.177 0.009 . 1 . . . . 44 GLY HA2 . 17165 1 539 . 1 1 44 44 GLY HA3 H 1 3.331 0.014 . 1 . . . . 44 GLY HA3 . 17165 1 540 . 1 1 44 44 GLY C C 13 173.030 0.030 . 1 . . . . 44 GLY C . 17165 1 541 . 1 1 44 44 GLY CA C 13 45.353 0.064 . 1 . . . . 44 GLY CA . 17165 1 542 . 1 1 44 44 GLY N N 15 102.435 0.04 . 1 . . . . 44 GLY N . 17165 1 543 . 1 1 45 45 GLU H H 1 7.826 0.005 . 1 . . . . 45 GLU H . 17165 1 544 . 1 1 45 45 GLU HA H 1 4.591 0.012 . 1 . . . . 45 GLU HA . 17165 1 545 . 1 1 45 45 GLU HB2 H 1 2.059 0.011 . 1 . . . . 45 GLU HB2 . 17165 1 546 . 1 1 45 45 GLU HB3 H 1 1.968 0.011 . 1 . . . . 45 GLU HB3 . 17165 1 547 . 1 1 45 45 GLU HG2 H 1 2.307 0.011 . 1 . . . . 45 GLU HG2 . 17165 1 548 . 1 1 45 45 GLU HG3 H 1 2.180 0.009 . 1 . . . . 45 GLU HG3 . 17165 1 549 . 1 1 45 45 GLU C C 13 175.642 0.030 . 1 . . . . 45 GLU C . 17165 1 550 . 1 1 45 45 GLU CA C 13 54.229 0.055 . 1 . . . . 45 GLU CA . 17165 1 551 . 1 1 45 45 GLU CB C 13 31.794 0.096 . 1 . . . . 45 GLU CB . 17165 1 552 . 1 1 45 45 GLU CG C 13 35.944 0.102 . 1 . . . . 45 GLU CG . 17165 1 553 . 1 1 45 45 GLU N N 15 120.745 0.028 . 1 . . . . 45 GLU N . 17165 1 554 . 1 1 46 46 ARG H H 1 8.778 0.004 . 1 . . . . 46 ARG H . 17165 1 555 . 1 1 46 46 ARG HA H 1 4.181 0.016 . 1 . . . . 46 ARG HA . 17165 1 556 . 1 1 46 46 ARG HB2 H 1 1.659 0.012 . 1 . . . . 46 ARG HB2 . 17165 1 557 . 1 1 46 46 ARG HB3 H 1 1.614 0.01 . 1 . . . . 46 ARG HB3 . 17165 1 558 . 1 1 46 46 ARG HD2 H 1 3.149 0.006 . 1 . . . . 46 ARG HD2 . 17165 1 559 . 1 1 46 46 ARG HD3 H 1 3.057 0.007 . 1 . . . . 46 ARG HD3 . 17165 1 560 . 1 1 46 46 ARG HG2 H 1 1.541 0.021 . 1 . . . . 46 ARG HG2 . 17165 1 561 . 1 1 46 46 ARG HG3 H 1 1.340 0.012 . 1 . . . . 46 ARG HG3 . 17165 1 562 . 1 1 46 46 ARG C C 13 176.247 0.030 . 1 . . . . 46 ARG C . 17165 1 563 . 1 1 46 46 ARG CA C 13 57.685 0.088 . 1 . . . . 46 ARG CA . 17165 1 564 . 1 1 46 46 ARG CB C 13 30.612 0.08 . 1 . . . . 46 ARG CB . 17165 1 565 . 1 1 46 46 ARG CD C 13 43.440 0.086 . 1 . . . . 46 ARG CD . 17165 1 566 . 1 1 46 46 ARG CG C 13 28.002 0.137 . 1 . . . . 46 ARG CG . 17165 1 567 . 1 1 46 46 ARG N N 15 124.489 0.059 . 1 . . . . 46 ARG N . 17165 1 568 . 1 1 47 47 ILE H H 1 8.879 0.004 . 1 . . . . 47 ILE H . 17165 1 569 . 1 1 47 47 ILE HA H 1 3.990 0.013 . 1 . . . . 47 ILE HA . 17165 1 570 . 1 1 47 47 ILE HB H 1 1.537 0.029 . 1 . . . . 47 ILE HB . 17165 1 571 . 1 1 47 47 ILE HD11 H 1 0.870 0.014 . 1 . . . . 47 ILE HD11 . 17165 1 572 . 1 1 47 47 ILE HD12 H 1 0.870 0.014 . 1 . . . . 47 ILE HD12 . 17165 1 573 . 1 1 47 47 ILE HD13 H 1 0.870 0.014 . 1 . . . . 47 ILE HD13 . 17165 1 574 . 1 1 47 47 ILE HG12 H 1 1.717 0.009 . 1 . . . . 47 ILE HG12 . 17165 1 575 . 1 1 47 47 ILE HG13 H 1 1.035 0.025 . 1 . . . . 47 ILE HG13 . 17165 1 576 . 1 1 47 47 ILE HG21 H 1 0.978 0.014 . 1 . . . . 47 ILE HG21 . 17165 1 577 . 1 1 47 47 ILE HG22 H 1 0.978 0.014 . 1 . . . . 47 ILE HG22 . 17165 1 578 . 1 1 47 47 ILE HG23 H 1 0.978 0.014 . 1 . . . . 47 ILE HG23 . 17165 1 579 . 1 1 47 47 ILE C C 13 175.934 0.030 . 1 . . . . 47 ILE C . 17165 1 580 . 1 1 47 47 ILE CA C 13 61.872 0.058 . 1 . . . . 47 ILE CA . 17165 1 581 . 1 1 47 47 ILE CB C 13 38.881 0.093 . 1 . . . . 47 ILE CB . 17165 1 582 . 1 1 47 47 ILE CD1 C 13 13.903 0.164 . 1 . . . . 47 ILE CD1 . 17165 1 583 . 1 1 47 47 ILE CG1 C 13 28.164 0.136 . 1 . . . . 47 ILE CG1 . 17165 1 584 . 1 1 47 47 ILE CG2 C 13 17.710 0.118 . 1 . . . . 47 ILE CG2 . 17165 1 585 . 1 1 47 47 ILE N N 15 128.888 0.042 . 1 . . . . 47 ILE N . 17165 1 586 . 1 1 48 48 GLU H H 1 8.574 0.003 . 1 . . . . 48 GLU H . 17165 1 587 . 1 1 48 48 GLU HA H 1 4.189 0.021 . 1 . . . . 48 GLU HA . 17165 1 588 . 1 1 48 48 GLU HB2 H 1 2.111 0.022 . 1 . . . . 48 GLU HB2 . 17165 1 589 . 1 1 48 48 GLU HB3 H 1 2.025 0.025 . 1 . . . . 48 GLU HB3 . 17165 1 590 . 1 1 48 48 GLU HG2 H 1 2.261 0.007 . 1 . . . . 48 GLU HG2 . 17165 1 591 . 1 1 48 48 GLU HG3 H 1 2.382 0.01 . 1 . . . . 48 GLU HG3 . 17165 1 592 . 1 1 48 48 GLU C C 13 177.164 0.030 . 1 . . . . 48 GLU C . 17165 1 593 . 1 1 48 48 GLU CA C 13 58.600 0.053 . 1 . . . . 48 GLU CA . 17165 1 594 . 1 1 48 48 GLU CB C 13 30.521 0.091 . 1 . . . . 48 GLU CB . 17165 1 595 . 1 1 48 48 GLU CG C 13 36.453 0.087 . 1 . . . . 48 GLU CG . 17165 1 596 . 1 1 48 48 GLU N N 15 126.490 0.043 . 1 . . . . 48 GLU N . 17165 1 597 . 1 1 49 49 LYS H H 1 8.154 0.003 . 1 . . . . 49 LYS H . 17165 1 598 . 1 1 49 49 LYS HA H 1 4.527 0.019 . 1 . . . . 49 LYS HA . 17165 1 599 . 1 1 49 49 LYS HB2 H 1 1.954 0.007 . 1 . . . . 49 LYS HB2 . 17165 1 600 . 1 1 49 49 LYS HB3 H 1 1.803 0.006 . 1 . . . . 49 LYS HB3 . 17165 1 601 . 1 1 49 49 LYS HD2 H 1 1.733 0.008 . 1 . . . . 49 LYS HD2 . 17165 1 602 . 1 1 49 49 LYS HD3 H 1 1.734 0.005 . 1 . . . . 49 LYS HD3 . 17165 1 603 . 1 1 49 49 LYS HE2 H 1 3.032 0.003 . 1 . . . . 49 LYS HE2 . 17165 1 604 . 1 1 49 49 LYS HE3 H 1 3.032 0.003 . 1 . . . . 49 LYS HE3 . 17165 1 605 . 1 1 49 49 LYS HG2 H 1 1.448 0.008 . 1 . . . . 49 LYS HG2 . 17165 1 606 . 1 1 49 49 LYS HG3 H 1 1.389 0.007 . 1 . . . . 49 LYS HG3 . 17165 1 607 . 1 1 49 49 LYS C C 13 174.507 0.030 . 1 . . . . 49 LYS C . 17165 1 608 . 1 1 49 49 LYS CA C 13 55.770 0.061 . 1 . . . . 49 LYS CA . 17165 1 609 . 1 1 49 49 LYS CB C 13 30.744 0.101 . 1 . . . . 49 LYS CB . 17165 1 610 . 1 1 49 49 LYS CD C 13 28.999 0.071 . 1 . . . . 49 LYS CD . 17165 1 611 . 1 1 49 49 LYS CE C 13 42.071 0.085 . 1 . . . . 49 LYS CE . 17165 1 612 . 1 1 49 49 LYS CG C 13 24.775 0.052 . 1 . . . . 49 LYS CG . 17165 1 613 . 1 1 49 49 LYS N N 15 119.511 0.016 . 1 . . . . 49 LYS N . 17165 1 614 . 1 1 50 50 VAL H H 1 7.924 0.003 . 1 . . . . 50 VAL H . 17165 1 615 . 1 1 50 50 VAL HA H 1 4.392 0.016 . 1 . . . . 50 VAL HA . 17165 1 616 . 1 1 50 50 VAL HB H 1 2.136 0.007 . 1 . . . . 50 VAL HB . 17165 1 617 . 1 1 50 50 VAL HG11 H 1 1.107 0.024 . 1 . . . . 50 VAL HG11 . 17165 1 618 . 1 1 50 50 VAL HG12 H 1 1.107 0.024 . 1 . . . . 50 VAL HG12 . 17165 1 619 . 1 1 50 50 VAL HG13 H 1 1.107 0.024 . 1 . . . . 50 VAL HG13 . 17165 1 620 . 1 1 50 50 VAL HG21 H 1 1.057 0.028 . 1 . . . . 50 VAL HG21 . 17165 1 621 . 1 1 50 50 VAL HG22 H 1 1.057 0.028 . 1 . . . . 50 VAL HG22 . 17165 1 622 . 1 1 50 50 VAL HG23 H 1 1.057 0.028 . 1 . . . . 50 VAL HG23 . 17165 1 623 . 1 1 50 50 VAL C C 13 174.786 0.030 . 1 . . . . 50 VAL C . 17165 1 624 . 1 1 50 50 VAL CA C 13 60.924 0.083 . 1 . . . . 50 VAL CA . 17165 1 625 . 1 1 50 50 VAL CB C 13 34.800 0.099 . 1 . . . . 50 VAL CB . 17165 1 626 . 1 1 50 50 VAL CG1 C 13 22.518 0.148 . 1 . . . . 50 VAL CG1 . 17165 1 627 . 1 1 50 50 VAL CG2 C 13 21.480 0.064 . 1 . . . . 50 VAL CG2 . 17165 1 628 . 1 1 50 50 VAL N N 15 122.317 0.031 . 1 . . . . 50 VAL N . 17165 1 629 . 1 1 51 51 GLU H H 1 8.460 0.001 . 1 . . . . 51 GLU H . 17165 1 630 . 1 1 51 51 GLU HA H 1 4.485 0.01 . 1 . . . . 51 GLU HA . 17165 1 631 . 1 1 51 51 GLU HB2 H 1 1.600 0.013 . 1 . . . . 51 GLU HB2 . 17165 1 632 . 1 1 51 51 GLU HB3 H 1 0.754 0.014 . 1 . . . . 51 GLU HB3 . 17165 1 633 . 1 1 51 51 GLU HG2 H 1 2.087 0.009 . 1 . . . . 51 GLU HG2 . 17165 1 634 . 1 1 51 51 GLU HG3 H 1 2.084 0.008 . 1 . . . . 51 GLU HG3 . 17165 1 635 . 1 1 51 51 GLU C C 13 174.054 0.030 . 1 . . . . 51 GLU C . 17165 1 636 . 1 1 51 51 GLU CA C 13 54.320 0.083 . 1 . . . . 51 GLU CA . 17165 1 637 . 1 1 51 51 GLU CB C 13 32.414 0.142 . 1 . . . . 51 GLU CB . 17165 1 638 . 1 1 51 51 GLU CG C 13 36.327 0.109 . 1 . . . . 51 GLU CG . 17165 1 639 . 1 1 51 51 GLU N N 15 125.405 0.044 . 1 . . . . 51 GLU N . 17165 1 640 . 1 1 52 52 HIS H H 1 8.217 0.009 . 1 . . . . 52 HIS H . 17165 1 641 . 1 1 52 52 HIS HA H 1 5.553 0.024 . 1 . . . . 52 HIS HA . 17165 1 642 . 1 1 52 52 HIS HB2 H 1 2.447 0.016 . 1 . . . . 52 HIS HB2 . 17165 1 643 . 1 1 52 52 HIS HB3 H 1 2.018 0.021 . 1 . . . . 52 HIS HB3 . 17165 1 644 . 1 1 52 52 HIS HD2 H 1 6.858 0.021 . 1 . . . . 52 HIS HD2 . 17165 1 645 . 1 1 52 52 HIS C C 13 175.008 0.030 . 1 . . . . 52 HIS C . 17165 1 646 . 1 1 52 52 HIS CA C 13 53.605 0.072 . 1 . . . . 52 HIS CA . 17165 1 647 . 1 1 52 52 HIS CB C 13 30.549 0.169 . 1 . . . . 52 HIS CB . 17165 1 648 . 1 1 52 52 HIS CD2 C 13 123.651 0.054 . 1 . . . . 52 HIS CD2 . 17165 1 649 . 1 1 52 52 HIS N N 15 111.473 0.064 . 1 . . . . 52 HIS N . 17165 1 650 . 1 1 53 53 SER H H 1 9.216 0.005 . 1 . . . . 53 SER H . 17165 1 651 . 1 1 53 53 SER HA H 1 4.665 0.013 . 1 . . . . 53 SER HA . 17165 1 652 . 1 1 53 53 SER HB2 H 1 4.491 0.012 . 1 . . . . 53 SER HB2 . 17165 1 653 . 1 1 53 53 SER HB3 H 1 4.121 0.009 . 1 . . . . 53 SER HB3 . 17165 1 654 . 1 1 53 53 SER C C 13 174.366 0.030 . 1 . . . . 53 SER C . 17165 1 655 . 1 1 53 53 SER CA C 13 57.494 0.112 . 1 . . . . 53 SER CA . 17165 1 656 . 1 1 53 53 SER CB C 13 65.625 0.111 . 1 . . . . 53 SER CB . 17165 1 657 . 1 1 53 53 SER N N 15 116.940 0.035 . 1 . . . . 53 SER N . 17165 1 658 . 1 1 54 54 ASP H H 1 8.722 0.003 . 1 . . . . 54 ASP H . 17165 1 659 . 1 1 54 54 ASP HA H 1 4.807 0.013 . 1 . . . . 54 ASP HA . 17165 1 660 . 1 1 54 54 ASP HB2 H 1 2.766 0.011 . 1 . . . . 54 ASP HB2 . 17165 1 661 . 1 1 54 54 ASP HB3 H 1 2.585 0.012 . 1 . . . . 54 ASP HB3 . 17165 1 662 . 1 1 54 54 ASP C C 13 176.835 0.030 . 1 . . . . 54 ASP C . 17165 1 663 . 1 1 54 54 ASP CA C 13 54.664 0.062 . 1 . . . . 54 ASP CA . 17165 1 664 . 1 1 54 54 ASP CB C 13 40.821 0.134 . 1 . . . . 54 ASP CB . 17165 1 665 . 1 1 54 54 ASP N N 15 120.110 0.125 . 1 . . . . 54 ASP N . 17165 1 666 . 1 1 55 55 LEU H H 1 8.892 0.007 . 1 . . . . 55 LEU H . 17165 1 667 . 1 1 55 55 LEU HA H 1 4.370 0.027 . 1 . . . . 55 LEU HA . 17165 1 668 . 1 1 55 55 LEU HB2 H 1 1.860 0.017 . 1 . . . . 55 LEU HB2 . 17165 1 669 . 1 1 55 55 LEU HB3 H 1 1.697 0.008 . 1 . . . . 55 LEU HB3 . 17165 1 670 . 1 1 55 55 LEU HD11 H 1 0.904 0.01 . 1 . . . . 55 LEU HD11 . 17165 1 671 . 1 1 55 55 LEU HD12 H 1 0.904 0.01 . 1 . . . . 55 LEU HD12 . 17165 1 672 . 1 1 55 55 LEU HD13 H 1 0.904 0.01 . 1 . . . . 55 LEU HD13 . 17165 1 673 . 1 1 55 55 LEU HD21 H 1 1.102 0.009 . 1 . . . . 55 LEU HD21 . 17165 1 674 . 1 1 55 55 LEU HD22 H 1 1.102 0.009 . 1 . . . . 55 LEU HD22 . 17165 1 675 . 1 1 55 55 LEU HD23 H 1 1.102 0.009 . 1 . . . . 55 LEU HD23 . 17165 1 676 . 1 1 55 55 LEU HG H 1 1.733 0.011 . 1 . . . . 55 LEU HG . 17165 1 677 . 1 1 55 55 LEU C C 13 176.281 0.030 . 1 . . . . 55 LEU C . 17165 1 678 . 1 1 55 55 LEU CA C 13 56.638 0.066 . 1 . . . . 55 LEU CA . 17165 1 679 . 1 1 55 55 LEU CB C 13 42.593 0.078 . 1 . . . . 55 LEU CB . 17165 1 680 . 1 1 55 55 LEU CD1 C 13 25.854 0.1 . 1 . . . . 55 LEU CD1 . 17165 1 681 . 1 1 55 55 LEU CD2 C 13 24.215 0.206 . 1 . . . . 55 LEU CD2 . 17165 1 682 . 1 1 55 55 LEU CG C 13 27.030 0.105 . 1 . . . . 55 LEU CG . 17165 1 683 . 1 1 55 55 LEU N N 15 126.160 0.061 . 1 . . . . 55 LEU N . 17165 1 684 . 1 1 56 56 SER H H 1 8.099 0.024 . 1 . . . . 56 SER H . 17165 1 685 . 1 1 56 56 SER HA H 1 4.826 0.018 . 1 . . . . 56 SER HA . 17165 1 686 . 1 1 56 56 SER HB2 H 1 3.437 0.014 . 1 . . . . 56 SER HB2 . 17165 1 687 . 1 1 56 56 SER HB3 H 1 2.729 0.029 . 1 . . . . 56 SER HB3 . 17165 1 688 . 1 1 56 56 SER HG H 1 5.319 0.030 . 1 . . . . 56 SER HG . 17165 1 689 . 1 1 56 56 SER C C 13 170.603 0.030 . 1 . . . . 56 SER C . 17165 1 690 . 1 1 56 56 SER CA C 13 57.328 0.083 . 1 . . . . 56 SER CA . 17165 1 691 . 1 1 56 56 SER CB C 13 65.350 0.076 . 1 . . . . 56 SER CB . 17165 1 692 . 1 1 56 56 SER N N 15 122.501 0.053 . 1 . . . . 56 SER N . 17165 1 693 . 1 1 57 57 PHE H H 1 8.199 0.019 . 1 . . . . 57 PHE H . 17165 1 694 . 1 1 57 57 PHE HA H 1 5.161 0.01 . 1 . . . . 57 PHE HA . 17165 1 695 . 1 1 57 57 PHE HB2 H 1 2.618 0.013 . 1 . . . . 57 PHE HB2 . 17165 1 696 . 1 1 57 57 PHE HB3 H 1 2.618 0.013 . 1 . . . . 57 PHE HB3 . 17165 1 697 . 1 1 57 57 PHE HD1 H 1 6.440 0.016 . 3 . . . . 57 PHE HD1 . 17165 1 698 . 1 1 57 57 PHE HD2 H 1 6.440 0.016 . 3 . . . . 57 PHE HD2 . 17165 1 699 . 1 1 57 57 PHE HE1 H 1 7.013 0.013 . 3 . . . . 57 PHE HE1 . 17165 1 700 . 1 1 57 57 PHE HE2 H 1 7.013 0.013 . 3 . . . . 57 PHE HE2 . 17165 1 701 . 1 1 57 57 PHE HZ H 1 7.016 0.009 . 1 . . . . 57 PHE HZ . 17165 1 702 . 1 1 57 57 PHE CA C 13 56.023 0.105 . 1 . . . . 57 PHE CA . 17165 1 703 . 1 1 57 57 PHE CB C 13 42.012 0.032 . 1 . . . . 57 PHE CB . 17165 1 704 . 1 1 57 57 PHE CD1 C 13 131.751 0.030 . 3 . . . . 57 PHE CD1 . 17165 1 705 . 1 1 57 57 PHE CD2 C 13 131.751 0.030 . 3 . . . . 57 PHE CD2 . 17165 1 706 . 1 1 57 57 PHE CE1 C 13 130.794 0.078 . 3 . . . . 57 PHE CE1 . 17165 1 707 . 1 1 57 57 PHE CE2 C 13 130.794 0.078 . 3 . . . . 57 PHE CE2 . 17165 1 708 . 1 1 57 57 PHE CZ C 13 129.476 0.0 . 1 . . . . 57 PHE CZ . 17165 1 709 . 1 1 57 57 PHE N N 15 119.141 0.036 . 1 . . . . 57 PHE N . 17165 1 710 . 1 1 58 58 SER HA H 1 4.742 0.025 . 1 . . . . 58 SER HA . 17165 1 711 . 1 1 58 58 SER C C 13 174.448 0.030 . 1 . . . . 58 SER C . 17165 1 712 . 1 1 58 58 SER CA C 13 57.177 0.088 . 1 . . . . 58 SER CA . 17165 1 713 . 1 1 58 58 SER CB C 13 65.498 0.030 . 1 . . . . 58 SER CB . 17165 1 714 . 1 1 59 59 LYS H H 1 7.493 0.006 . 1 . . . . 59 LYS H . 17165 1 715 . 1 1 59 59 LYS HA H 1 3.790 0.013 . 1 . . . . 59 LYS HA . 17165 1 716 . 1 1 59 59 LYS HB2 H 1 1.743 0.008 . 1 . . . . 59 LYS HB2 . 17165 1 717 . 1 1 59 59 LYS HB3 H 1 1.743 0.008 . 1 . . . . 59 LYS HB3 . 17165 1 718 . 1 1 59 59 LYS HD2 H 1 1.645 0.005 . 1 . . . . 59 LYS HD2 . 17165 1 719 . 1 1 59 59 LYS HD3 H 1 1.645 0.005 . 1 . . . . 59 LYS HD3 . 17165 1 720 . 1 1 59 59 LYS HE2 H 1 2.972 0.005 . 1 . . . . 59 LYS HE2 . 17165 1 721 . 1 1 59 59 LYS HE3 H 1 2.972 0.005 . 1 . . . . 59 LYS HE3 . 17165 1 722 . 1 1 59 59 LYS HG2 H 1 1.397 0.008 . 1 . . . . 59 LYS HG2 . 17165 1 723 . 1 1 59 59 LYS HG3 H 1 1.397 0.008 . 1 . . . . 59 LYS HG3 . 17165 1 724 . 1 1 59 59 LYS C C 13 176.544 0.030 . 1 . . . . 59 LYS C . 17165 1 725 . 1 1 59 59 LYS CA C 13 58.439 0.087 . 1 . . . . 59 LYS CA . 17165 1 726 . 1 1 59 59 LYS CB C 13 31.747 0.112 . 1 . . . . 59 LYS CB . 17165 1 727 . 1 1 59 59 LYS CD C 13 28.956 0.052 . 1 . . . . 59 LYS CD . 17165 1 728 . 1 1 59 59 LYS CE C 13 41.896 0.047 . 1 . . . . 59 LYS CE . 17165 1 729 . 1 1 59 59 LYS CG C 13 24.493 0.09 . 1 . . . . 59 LYS CG . 17165 1 730 . 1 1 59 59 LYS N N 15 112.972 0.022 . 1 . . . . 59 LYS N . 17165 1 731 . 1 1 60 60 ASP H H 1 7.714 0.002 . 1 . . . . 60 ASP H . 17165 1 732 . 1 1 60 60 ASP HA H 1 4.578 0.001 . 1 . . . . 60 ASP HA . 17165 1 733 . 1 1 60 60 ASP HB2 H 1 2.804 0.004 . 1 . . . . 60 ASP HB2 . 17165 1 734 . 1 1 60 60 ASP HB3 H 1 2.611 0.004 . 1 . . . . 60 ASP HB3 . 17165 1 735 . 1 1 60 60 ASP C C 13 175.323 0.030 . 1 . . . . 60 ASP C . 17165 1 736 . 1 1 60 60 ASP CA C 13 54.545 0.083 . 1 . . . . 60 ASP CA . 17165 1 737 . 1 1 60 60 ASP CB C 13 41.151 0.028 . 1 . . . . 60 ASP CB . 17165 1 738 . 1 1 60 60 ASP N N 15 116.427 0.04 . 1 . . . . 60 ASP N . 17165 1 739 . 1 1 61 61 TRP H H 1 7.715 0.018 . 1 . . . . 61 TRP H . 17165 1 740 . 1 1 61 61 TRP HA H 1 4.336 0.030 . 1 . . . . 61 TRP HA . 17165 1 741 . 1 1 61 61 TRP HB2 H 1 2.305 0.030 . 1 . . . . 61 TRP HB2 . 17165 1 742 . 1 1 61 61 TRP HB3 H 1 2.305 0.030 . 1 . . . . 61 TRP HB3 . 17165 1 743 . 1 1 61 61 TRP HD1 H 1 6.894 0.007 . 1 . . . . 61 TRP HD1 . 17165 1 744 . 1 1 61 61 TRP HE1 H 1 10.220 0.030 . 1 . . . . 61 TRP HE1 . 17165 1 745 . 1 1 61 61 TRP HH2 H 1 7.116 0.01 . 1 . . . . 61 TRP HH2 . 17165 1 746 . 1 1 61 61 TRP HZ2 H 1 7.392 0.006 . 1 . . . . 61 TRP HZ2 . 17165 1 747 . 1 1 61 61 TRP HZ3 H 1 6.882 0.007 . 1 . . . . 61 TRP HZ3 . 17165 1 748 . 1 1 61 61 TRP CA C 13 56.909 0.04 . 1 . . . . 61 TRP CA . 17165 1 749 . 1 1 61 61 TRP CB C 13 28.012 0.030 . 1 . . . . 61 TRP CB . 17165 1 750 . 1 1 61 61 TRP CD1 C 13 126.016 0.019 . 1 . . . . 61 TRP CD1 . 17165 1 751 . 1 1 61 61 TRP CH2 C 13 124.478 0.082 . 1 . . . . 61 TRP CH2 . 17165 1 752 . 1 1 61 61 TRP CZ2 C 13 114.303 0.028 . 1 . . . . 61 TRP CZ2 . 17165 1 753 . 1 1 61 61 TRP CZ3 C 13 121.788 0.039 . 1 . . . . 61 TRP CZ3 . 17165 1 754 . 1 1 61 61 TRP N N 15 124.020 0.097 . 1 . . . . 61 TRP N . 17165 1 755 . 1 1 62 62 SER HA H 1 4.561 0.008 . 1 . . . . 62 SER HA . 17165 1 756 . 1 1 62 62 SER HB2 H 1 3.905 0.006 . 1 . . . . 62 SER HB2 . 17165 1 757 . 1 1 62 62 SER HB3 H 1 3.722 0.007 . 1 . . . . 62 SER HB3 . 17165 1 758 . 1 1 62 62 SER CA C 13 56.225 0.077 . 1 . . . . 62 SER CA . 17165 1 759 . 1 1 62 62 SER CB C 13 65.196 0.04 . 1 . . . . 62 SER CB . 17165 1 760 . 1 1 63 63 PHE HA H 1 4.519 0.016 . 1 . . . . 63 PHE HA . 17165 1 761 . 1 1 63 63 PHE HB2 H 1 2.967 0.0 . 1 . . . . 63 PHE HB2 . 17165 1 762 . 1 1 63 63 PHE HB3 H 1 2.967 0.0 . 1 . . . . 63 PHE HB3 . 17165 1 763 . 1 1 63 63 PHE HD1 H 1 7.363 0.009 . 3 . . . . 63 PHE HD1 . 17165 1 764 . 1 1 63 63 PHE HD2 H 1 7.363 0.009 . 3 . . . . 63 PHE HD2 . 17165 1 765 . 1 1 63 63 PHE HE1 H 1 7.315 0.02 . 3 . . . . 63 PHE HE1 . 17165 1 766 . 1 1 63 63 PHE HE2 H 1 7.315 0.02 . 3 . . . . 63 PHE HE2 . 17165 1 767 . 1 1 63 63 PHE HZ H 1 7.219 0.015 . 1 . . . . 63 PHE HZ . 17165 1 768 . 1 1 63 63 PHE C C 13 174.351 0.030 . 1 . . . . 63 PHE C . 17165 1 769 . 1 1 63 63 PHE CA C 13 58.327 0.081 . 1 . . . . 63 PHE CA . 17165 1 770 . 1 1 63 63 PHE CB C 13 41.781 0.005 . 1 . . . . 63 PHE CB . 17165 1 771 . 1 1 63 63 PHE CD1 C 13 132.258 0.039 . 3 . . . . 63 PHE CD1 . 17165 1 772 . 1 1 63 63 PHE CD2 C 13 132.258 0.039 . 3 . . . . 63 PHE CD2 . 17165 1 773 . 1 1 63 63 PHE CE1 C 13 131.545 0.003 . 3 . . . . 63 PHE CE1 . 17165 1 774 . 1 1 63 63 PHE CE2 C 13 131.545 0.003 . 3 . . . . 63 PHE CE2 . 17165 1 775 . 1 1 63 63 PHE CZ C 13 129.727 0.003 . 1 . . . . 63 PHE CZ . 17165 1 776 . 1 1 64 64 TYR H H 1 8.212 0.009 . 1 . . . . 64 TYR H . 17165 1 777 . 1 1 64 64 TYR HA H 1 5.549 0.018 . 1 . . . . 64 TYR HA . 17165 1 778 . 1 1 64 64 TYR HB2 H 1 3.054 0.024 . 1 . . . . 64 TYR HB2 . 17165 1 779 . 1 1 64 64 TYR HB3 H 1 2.864 0.015 . 1 . . . . 64 TYR HB3 . 17165 1 780 . 1 1 64 64 TYR HD1 H 1 7.065 0.013 . 3 . . . . 64 TYR HD1 . 17165 1 781 . 1 1 64 64 TYR HD2 H 1 7.065 0.013 . 3 . . . . 64 TYR HD2 . 17165 1 782 . 1 1 64 64 TYR HE1 H 1 6.670 0.013 . 3 . . . . 64 TYR HE1 . 17165 1 783 . 1 1 64 64 TYR HE2 H 1 6.670 0.013 . 3 . . . . 64 TYR HE2 . 17165 1 784 . 1 1 64 64 TYR C C 13 174.126 0.030 . 1 . . . . 64 TYR C . 17165 1 785 . 1 1 64 64 TYR CA C 13 56.564 0.075 . 1 . . . . 64 TYR CA . 17165 1 786 . 1 1 64 64 TYR CB C 13 40.625 0.179 . 1 . . . . 64 TYR CB . 17165 1 787 . 1 1 64 64 TYR CD1 C 13 134.340 0.087 . 3 . . . . 64 TYR CD1 . 17165 1 788 . 1 1 64 64 TYR CD2 C 13 134.340 0.087 . 3 . . . . 64 TYR CD2 . 17165 1 789 . 1 1 64 64 TYR CE1 C 13 117.729 0.003 . 3 . . . . 64 TYR CE1 . 17165 1 790 . 1 1 64 64 TYR CE2 C 13 117.729 0.003 . 3 . . . . 64 TYR CE2 . 17165 1 791 . 1 1 64 64 TYR N N 15 111.478 0.032 . 1 . . . . 64 TYR N . 17165 1 792 . 1 1 65 65 LEU H H 1 9.197 0.005 . 1 . . . . 65 LEU H . 17165 1 793 . 1 1 65 65 LEU HA H 1 4.661 0.018 . 1 . . . . 65 LEU HA . 17165 1 794 . 1 1 65 65 LEU HB2 H 1 2.034 0.01 . 1 . . . . 65 LEU HB2 . 17165 1 795 . 1 1 65 65 LEU HB3 H 1 1.811 0.013 . 1 . . . . 65 LEU HB3 . 17165 1 796 . 1 1 65 65 LEU HD11 H 1 1.084 0.006 . 1 . . . . 65 LEU HD11 . 17165 1 797 . 1 1 65 65 LEU HD12 H 1 1.084 0.006 . 1 . . . . 65 LEU HD12 . 17165 1 798 . 1 1 65 65 LEU HD13 H 1 1.084 0.006 . 1 . . . . 65 LEU HD13 . 17165 1 799 . 1 1 65 65 LEU HD21 H 1 1.001 0.011 . 1 . . . . 65 LEU HD21 . 17165 1 800 . 1 1 65 65 LEU HD22 H 1 1.001 0.011 . 1 . . . . 65 LEU HD22 . 17165 1 801 . 1 1 65 65 LEU HD23 H 1 1.001 0.011 . 1 . . . . 65 LEU HD23 . 17165 1 802 . 1 1 65 65 LEU HG H 1 1.815 0.008 . 1 . . . . 65 LEU HG . 17165 1 803 . 1 1 65 65 LEU C C 13 172.366 0.030 . 1 . . . . 65 LEU C . 17165 1 804 . 1 1 65 65 LEU CA C 13 55.699 0.088 . 1 . . . . 65 LEU CA . 17165 1 805 . 1 1 65 65 LEU CB C 13 46.778 0.163 . 1 . . . . 65 LEU CB . 17165 1 806 . 1 1 65 65 LEU CD1 C 13 25.955 0.073 . 1 . . . . 65 LEU CD1 . 17165 1 807 . 1 1 65 65 LEU CD2 C 13 25.539 0.188 . 1 . . . . 65 LEU CD2 . 17165 1 808 . 1 1 65 65 LEU CG C 13 27.567 0.14 . 1 . . . . 65 LEU CG . 17165 1 809 . 1 1 65 65 LEU N N 15 119.817 0.029 . 1 . . . . 65 LEU N . 17165 1 810 . 1 1 66 66 LEU H H 1 8.196 0.01 . 1 . . . . 66 LEU H . 17165 1 811 . 1 1 66 66 LEU HA H 1 5.504 0.017 . 1 . . . . 66 LEU HA . 17165 1 812 . 1 1 66 66 LEU HB2 H 1 2.030 0.009 . 1 . . . . 66 LEU HB2 . 17165 1 813 . 1 1 66 66 LEU HB3 H 1 1.605 0.011 . 1 . . . . 66 LEU HB3 . 17165 1 814 . 1 1 66 66 LEU HD11 H 1 0.811 0.012 . 1 . . . . 66 LEU HD11 . 17165 1 815 . 1 1 66 66 LEU HD12 H 1 0.811 0.012 . 1 . . . . 66 LEU HD12 . 17165 1 816 . 1 1 66 66 LEU HD13 H 1 0.811 0.012 . 1 . . . . 66 LEU HD13 . 17165 1 817 . 1 1 66 66 LEU HD21 H 1 1.070 0.009 . 1 . . . . 66 LEU HD21 . 17165 1 818 . 1 1 66 66 LEU HD22 H 1 1.070 0.009 . 1 . . . . 66 LEU HD22 . 17165 1 819 . 1 1 66 66 LEU HD23 H 1 1.070 0.009 . 1 . . . . 66 LEU HD23 . 17165 1 820 . 1 1 66 66 LEU HG H 1 1.587 0.011 . 1 . . . . 66 LEU HG . 17165 1 821 . 1 1 66 66 LEU C C 13 175.153 0.030 . 1 . . . . 66 LEU C . 17165 1 822 . 1 1 66 66 LEU CA C 13 53.890 0.083 . 1 . . . . 66 LEU CA . 17165 1 823 . 1 1 66 66 LEU CB C 13 46.726 0.093 . 1 . . . . 66 LEU CB . 17165 1 824 . 1 1 66 66 LEU CD1 C 13 25.881 0.133 . 1 . . . . 66 LEU CD1 . 17165 1 825 . 1 1 66 66 LEU CD2 C 13 23.884 0.126 . 1 . . . . 66 LEU CD2 . 17165 1 826 . 1 1 66 66 LEU CG C 13 28.057 0.103 . 1 . . . . 66 LEU CG . 17165 1 827 . 1 1 66 66 LEU N N 15 121.902 0.023 . 1 . . . . 66 LEU N . 17165 1 828 . 1 1 67 67 TYR H H 1 9.152 0.005 . 1 . . . . 67 TYR H . 17165 1 829 . 1 1 67 67 TYR HA H 1 5.416 0.016 . 1 . . . . 67 TYR HA . 17165 1 830 . 1 1 67 67 TYR HB2 H 1 3.084 0.018 . 1 . . . . 67 TYR HB2 . 17165 1 831 . 1 1 67 67 TYR HB3 H 1 2.686 0.011 . 1 . . . . 67 TYR HB3 . 17165 1 832 . 1 1 67 67 TYR HD1 H 1 7.024 0.011 . 3 . . . . 67 TYR HD1 . 17165 1 833 . 1 1 67 67 TYR HD2 H 1 7.024 0.011 . 3 . . . . 67 TYR HD2 . 17165 1 834 . 1 1 67 67 TYR HE1 H 1 6.685 0.011 . 3 . . . . 67 TYR HE1 . 17165 1 835 . 1 1 67 67 TYR HE2 H 1 6.685 0.011 . 3 . . . . 67 TYR HE2 . 17165 1 836 . 1 1 67 67 TYR C C 13 174.965 0.030 . 1 . . . . 67 TYR C . 17165 1 837 . 1 1 67 67 TYR CA C 13 56.899 0.068 . 1 . . . . 67 TYR CA . 17165 1 838 . 1 1 67 67 TYR CB C 13 42.056 0.155 . 1 . . . . 67 TYR CB . 17165 1 839 . 1 1 67 67 TYR CD1 C 13 131.949 0.036 . 3 . . . . 67 TYR CD1 . 17165 1 840 . 1 1 67 67 TYR CD2 C 13 131.949 0.036 . 3 . . . . 67 TYR CD2 . 17165 1 841 . 1 1 67 67 TYR CE1 C 13 118.656 0.046 . 3 . . . . 67 TYR CE1 . 17165 1 842 . 1 1 67 67 TYR CE2 C 13 118.656 0.046 . 3 . . . . 67 TYR CE2 . 17165 1 843 . 1 1 67 67 TYR N N 15 127.210 0.029 . 1 . . . . 67 TYR N . 17165 1 844 . 1 1 68 68 TYR H H 1 8.955 0.017 . 1 . . . . 68 TYR H . 17165 1 845 . 1 1 68 68 TYR HA H 1 6.019 0.014 . 1 . . . . 68 TYR HA . 17165 1 846 . 1 1 68 68 TYR HB2 H 1 3.268 0.014 . 1 . . . . 68 TYR HB2 . 17165 1 847 . 1 1 68 68 TYR HB3 H 1 2.652 0.014 . 1 . . . . 68 TYR HB3 . 17165 1 848 . 1 1 68 68 TYR HD1 H 1 6.734 0.01 . 3 . . . . 68 TYR HD1 . 17165 1 849 . 1 1 68 68 TYR HD2 H 1 6.734 0.01 . 3 . . . . 68 TYR HD2 . 17165 1 850 . 1 1 68 68 TYR HE1 H 1 6.569 0.009 . 3 . . . . 68 TYR HE1 . 17165 1 851 . 1 1 68 68 TYR HE2 H 1 6.569 0.009 . 3 . . . . 68 TYR HE2 . 17165 1 852 . 1 1 68 68 TYR C C 13 173.577 0.030 . 1 . . . . 68 TYR C . 17165 1 853 . 1 1 68 68 TYR CA C 13 55.914 0.065 . 1 . . . . 68 TYR CA . 17165 1 854 . 1 1 68 68 TYR CB C 13 41.141 0.135 . 1 . . . . 68 TYR CB . 17165 1 855 . 1 1 68 68 TYR CD1 C 13 133.450 0.071 . 3 . . . . 68 TYR CD1 . 17165 1 856 . 1 1 68 68 TYR CD2 C 13 133.450 0.071 . 3 . . . . 68 TYR CD2 . 17165 1 857 . 1 1 68 68 TYR CE1 C 13 117.837 0.076 . 3 . . . . 68 TYR CE1 . 17165 1 858 . 1 1 68 68 TYR CE2 C 13 117.837 0.076 . 3 . . . . 68 TYR CE2 . 17165 1 859 . 1 1 68 68 TYR N N 15 116.595 0.048 . 1 . . . . 68 TYR N . 17165 1 860 . 1 1 69 69 THR H H 1 8.327 0.004 . 1 . . . . 69 THR H . 17165 1 861 . 1 1 69 69 THR HA H 1 4.890 0.015 . 1 . . . . 69 THR HA . 17165 1 862 . 1 1 69 69 THR HB H 1 4.130 0.011 . 1 . . . . 69 THR HB . 17165 1 863 . 1 1 69 69 THR HG21 H 1 0.952 0.021 . 1 . . . . 69 THR HG21 . 17165 1 864 . 1 1 69 69 THR HG22 H 1 0.952 0.021 . 1 . . . . 69 THR HG22 . 17165 1 865 . 1 1 69 69 THR HG23 H 1 0.952 0.021 . 1 . . . . 69 THR HG23 . 17165 1 866 . 1 1 69 69 THR C C 13 171.293 0.030 . 1 . . . . 69 THR C . 17165 1 867 . 1 1 69 69 THR CA C 13 60.119 0.059 . 1 . . . . 69 THR CA . 17165 1 868 . 1 1 69 69 THR CB C 13 70.082 0.085 . 1 . . . . 69 THR CB . 17165 1 869 . 1 1 69 69 THR CG2 C 13 19.523 0.065 . 1 . . . . 69 THR CG2 . 17165 1 870 . 1 1 69 69 THR N N 15 111.854 0.034 . 1 . . . . 69 THR N . 17165 1 871 . 1 1 70 70 GLU H H 1 8.587 0.003 . 1 . . . . 70 GLU H . 17165 1 872 . 1 1 70 70 GLU HA H 1 4.270 0.021 . 1 . . . . 70 GLU HA . 17165 1 873 . 1 1 70 70 GLU HB2 H 1 1.839 0.022 . 1 . . . . 70 GLU HB2 . 17165 1 874 . 1 1 70 70 GLU HB3 H 1 1.700 0.015 . 1 . . . . 70 GLU HB3 . 17165 1 875 . 1 1 70 70 GLU HG2 H 1 1.894 0.012 . 1 . . . . 70 GLU HG2 . 17165 1 876 . 1 1 70 70 GLU HG3 H 1 1.894 0.012 . 1 . . . . 70 GLU HG3 . 17165 1 877 . 1 1 70 70 GLU C C 13 175.637 0.030 . 1 . . . . 70 GLU C . 17165 1 878 . 1 1 70 70 GLU CA C 13 56.666 0.039 . 1 . . . . 70 GLU CA . 17165 1 879 . 1 1 70 70 GLU CB C 13 29.821 0.123 . 1 . . . . 70 GLU CB . 17165 1 880 . 1 1 70 70 GLU CG C 13 36.174 0.075 . 1 . . . . 70 GLU CG . 17165 1 881 . 1 1 70 70 GLU N N 15 130.304 0.019 . 1 . . . . 70 GLU N . 17165 1 882 . 1 1 71 71 PHE H H 1 8.754 0.002 . 1 . . . . 71 PHE H . 17165 1 883 . 1 1 71 71 PHE HA H 1 4.828 0.013 . 1 . . . . 71 PHE HA . 17165 1 884 . 1 1 71 71 PHE HB2 H 1 2.817 0.014 . 1 . . . . 71 PHE HB2 . 17165 1 885 . 1 1 71 71 PHE HB3 H 1 2.670 0.031 . 1 . . . . 71 PHE HB3 . 17165 1 886 . 1 1 71 71 PHE HD1 H 1 6.228 0.015 . 3 . . . . 71 PHE HD1 . 17165 1 887 . 1 1 71 71 PHE HD2 H 1 6.228 0.015 . 3 . . . . 71 PHE HD2 . 17165 1 888 . 1 1 71 71 PHE HE1 H 1 6.238 0.011 . 3 . . . . 71 PHE HE1 . 17165 1 889 . 1 1 71 71 PHE HE2 H 1 6.238 0.011 . 3 . . . . 71 PHE HE2 . 17165 1 890 . 1 1 71 71 PHE HZ H 1 5.723 0.007 . 1 . . . . 71 PHE HZ . 17165 1 891 . 1 1 71 71 PHE C C 13 171.722 0.030 . 1 . . . . 71 PHE C . 17165 1 892 . 1 1 71 71 PHE CA C 13 55.301 0.044 . 1 . . . . 71 PHE CA . 17165 1 893 . 1 1 71 71 PHE CB C 13 41.047 0.072 . 1 . . . . 71 PHE CB . 17165 1 894 . 1 1 71 71 PHE CD1 C 13 131.672 0.04 . 3 . . . . 71 PHE CD1 . 17165 1 895 . 1 1 71 71 PHE CD2 C 13 131.672 0.04 . 3 . . . . 71 PHE CD2 . 17165 1 896 . 1 1 71 71 PHE CE1 C 13 129.836 0.044 . 3 . . . . 71 PHE CE1 . 17165 1 897 . 1 1 71 71 PHE CE2 C 13 129.836 0.044 . 3 . . . . 71 PHE CE2 . 17165 1 898 . 1 1 71 71 PHE CZ C 13 128.127 0.122 . 1 . . . . 71 PHE CZ . 17165 1 899 . 1 1 71 71 PHE N N 15 125.914 0.052 . 1 . . . . 71 PHE N . 17165 1 900 . 1 1 72 72 THR H H 1 8.379 0.005 . 1 . . . . 72 THR H . 17165 1 901 . 1 1 72 72 THR HA H 1 4.497 0.008 . 1 . . . . 72 THR HA . 17165 1 902 . 1 1 72 72 THR HB H 1 3.884 0.011 . 1 . . . . 72 THR HB . 17165 1 903 . 1 1 72 72 THR HG21 H 1 0.862 0.013 . 1 . . . . 72 THR HG21 . 17165 1 904 . 1 1 72 72 THR HG22 H 1 0.862 0.013 . 1 . . . . 72 THR HG22 . 17165 1 905 . 1 1 72 72 THR HG23 H 1 0.862 0.013 . 1 . . . . 72 THR HG23 . 17165 1 906 . 1 1 72 72 THR CA C 13 58.544 0.081 . 1 . . . . 72 THR CA . 17165 1 907 . 1 1 72 72 THR CB C 13 70.014 0.063 . 1 . . . . 72 THR CB . 17165 1 908 . 1 1 72 72 THR CG2 C 13 20.504 0.089 . 1 . . . . 72 THR CG2 . 17165 1 909 . 1 1 72 72 THR N N 15 117.396 0.04 . 1 . . . . 72 THR N . 17165 1 910 . 1 1 73 73 PRO HA H 1 4.602 0.013 . 1 . . . . 73 PRO HA . 17165 1 911 . 1 1 73 73 PRO HB2 H 1 2.456 0.02 . 1 . . . . 73 PRO HB2 . 17165 1 912 . 1 1 73 73 PRO HB3 H 1 2.209 0.013 . 1 . . . . 73 PRO HB3 . 17165 1 913 . 1 1 73 73 PRO HD2 H 1 4.031 0.009 . 1 . . . . 73 PRO HD2 . 17165 1 914 . 1 1 73 73 PRO HD3 H 1 2.224 0.015 . 1 . . . . 73 PRO HD3 . 17165 1 915 . 1 1 73 73 PRO HG2 H 1 2.021 0.013 . 1 . . . . 73 PRO HG2 . 17165 1 916 . 1 1 73 73 PRO HG3 H 1 1.430 0.008 . 1 . . . . 73 PRO HG3 . 17165 1 917 . 1 1 73 73 PRO C C 13 174.839 0.030 . 1 . . . . 73 PRO C . 17165 1 918 . 1 1 73 73 PRO CA C 13 63.114 0.131 . 1 . . . . 73 PRO CA . 17165 1 919 . 1 1 73 73 PRO CB C 13 32.062 0.071 . 1 . . . . 73 PRO CB . 17165 1 920 . 1 1 73 73 PRO CD C 13 51.080 0.111 . 1 . . . . 73 PRO CD . 17165 1 921 . 1 1 73 73 PRO CG C 13 26.731 0.161 . 1 . . . . 73 PRO CG . 17165 1 922 . 1 1 74 74 THR H H 1 8.099 0.005 . 1 . . . . 74 THR H . 17165 1 923 . 1 1 74 74 THR HA H 1 4.654 0.022 . 1 . . . . 74 THR HA . 17165 1 924 . 1 1 74 74 THR HB H 1 4.555 0.012 . 1 . . . . 74 THR HB . 17165 1 925 . 1 1 74 74 THR HG1 H 1 4.824 0.001 . 1 . . . . 74 THR HG1 . 17165 1 926 . 1 1 74 74 THR HG21 H 1 1.331 0.01 . 1 . . . . 74 THR HG21 . 17165 1 927 . 1 1 74 74 THR HG22 H 1 1.331 0.01 . 1 . . . . 74 THR HG22 . 17165 1 928 . 1 1 74 74 THR HG23 H 1 1.331 0.01 . 1 . . . . 74 THR HG23 . 17165 1 929 . 1 1 74 74 THR C C 13 175.170 0.030 . 1 . . . . 74 THR C . 17165 1 930 . 1 1 74 74 THR CA C 13 60.060 0.102 . 1 . . . . 74 THR CA . 17165 1 931 . 1 1 74 74 THR CB C 13 72.823 0.1 . 1 . . . . 74 THR CB . 17165 1 932 . 1 1 74 74 THR CG2 C 13 21.444 0.115 . 1 . . . . 74 THR CG2 . 17165 1 933 . 1 1 74 74 THR N N 15 110.354 0.052 . 1 . . . . 74 THR N . 17165 1 934 . 1 1 75 75 GLU H H 1 9.138 0.005 . 1 . . . . 75 GLU H . 17165 1 935 . 1 1 75 75 GLU HA H 1 4.213 0.016 . 1 . . . . 75 GLU HA . 17165 1 936 . 1 1 75 75 GLU HB2 H 1 2.107 0.004 . 1 . . . . 75 GLU HB2 . 17165 1 937 . 1 1 75 75 GLU HB3 H 1 2.059 0.015 . 1 . . . . 75 GLU HB3 . 17165 1 938 . 1 1 75 75 GLU HG2 H 1 2.364 0.007 . 1 . . . . 75 GLU HG2 . 17165 1 939 . 1 1 75 75 GLU HG3 H 1 2.288 0.01 . 1 . . . . 75 GLU HG3 . 17165 1 940 . 1 1 75 75 GLU C C 13 177.804 0.030 . 1 . . . . 75 GLU C . 17165 1 941 . 1 1 75 75 GLU CA C 13 58.994 0.04 . 1 . . . . 75 GLU CA . 17165 1 942 . 1 1 75 75 GLU CB C 13 29.951 0.07 . 1 . . . . 75 GLU CB . 17165 1 943 . 1 1 75 75 GLU CG C 13 36.306 0.133 . 1 . . . . 75 GLU CG . 17165 1 944 . 1 1 75 75 GLU N N 15 118.753 0.031 . 1 . . . . 75 GLU N . 17165 1 945 . 1 1 76 76 LYS H H 1 7.890 0.006 . 1 . . . . 76 LYS H . 17165 1 946 . 1 1 76 76 LYS HA H 1 4.482 0.009 . 1 . . . . 76 LYS HA . 17165 1 947 . 1 1 76 76 LYS HB2 H 1 1.875 0.024 . 1 . . . . 76 LYS HB2 . 17165 1 948 . 1 1 76 76 LYS HB3 H 1 1.798 0.01 . 1 . . . . 76 LYS HB3 . 17165 1 949 . 1 1 76 76 LYS HD2 H 1 1.675 0.007 . 1 . . . . 76 LYS HD2 . 17165 1 950 . 1 1 76 76 LYS HD3 H 1 1.675 0.007 . 1 . . . . 76 LYS HD3 . 17165 1 951 . 1 1 76 76 LYS HE2 H 1 2.993 0.006 . 1 . . . . 76 LYS HE2 . 17165 1 952 . 1 1 76 76 LYS HE3 H 1 2.993 0.006 . 1 . . . . 76 LYS HE3 . 17165 1 953 . 1 1 76 76 LYS HG2 H 1 1.406 0.009 . 1 . . . . 76 LYS HG2 . 17165 1 954 . 1 1 76 76 LYS HG3 H 1 1.406 0.009 . 1 . . . . 76 LYS HG3 . 17165 1 955 . 1 1 76 76 LYS C C 13 176.811 0.030 . 1 . . . . 76 LYS C . 17165 1 956 . 1 1 76 76 LYS CA C 13 56.322 0.044 . 1 . . . . 76 LYS CA . 17165 1 957 . 1 1 76 76 LYS CB C 13 34.036 0.05 . 1 . . . . 76 LYS CB . 17165 1 958 . 1 1 76 76 LYS CD C 13 28.629 0.021 . 1 . . . . 76 LYS CD . 17165 1 959 . 1 1 76 76 LYS CE C 13 41.964 0.072 . 1 . . . . 76 LYS CE . 17165 1 960 . 1 1 76 76 LYS CG C 13 24.497 0.079 . 1 . . . . 76 LYS CG . 17165 1 961 . 1 1 76 76 LYS N N 15 113.637 0.017 . 1 . . . . 76 LYS N . 17165 1 962 . 1 1 77 77 ASP H H 1 7.162 0.005 . 1 . . . . 77 ASP H . 17165 1 963 . 1 1 77 77 ASP HA H 1 5.127 0.017 . 1 . . . . 77 ASP HA . 17165 1 964 . 1 1 77 77 ASP HB2 H 1 2.865 0.012 . 1 . . . . 77 ASP HB2 . 17165 1 965 . 1 1 77 77 ASP HB3 H 1 2.151 0.024 . 1 . . . . 77 ASP HB3 . 17165 1 966 . 1 1 77 77 ASP C C 13 175.091 0.030 . 1 . . . . 77 ASP C . 17165 1 967 . 1 1 77 77 ASP CA C 13 55.437 0.053 . 1 . . . . 77 ASP CA . 17165 1 968 . 1 1 77 77 ASP CB C 13 43.401 0.148 . 1 . . . . 77 ASP CB . 17165 1 969 . 1 1 77 77 ASP N N 15 118.081 0.022 . 1 . . . . 77 ASP N . 17165 1 970 . 1 1 78 78 GLU H H 1 8.646 0.005 . 1 . . . . 78 GLU H . 17165 1 971 . 1 1 78 78 GLU HA H 1 4.815 0.018 . 1 . . . . 78 GLU HA . 17165 1 972 . 1 1 78 78 GLU HB2 H 1 2.083 0.013 . 1 . . . . 78 GLU HB2 . 17165 1 973 . 1 1 78 78 GLU HB3 H 1 1.994 0.007 . 1 . . . . 78 GLU HB3 . 17165 1 974 . 1 1 78 78 GLU HG2 H 1 2.405 0.012 . 1 . . . . 78 GLU HG2 . 17165 1 975 . 1 1 78 78 GLU HG3 H 1 2.123 0.008 . 1 . . . . 78 GLU HG3 . 17165 1 976 . 1 1 78 78 GLU C C 13 174.915 0.030 . 1 . . . . 78 GLU C . 17165 1 977 . 1 1 78 78 GLU CA C 13 54.804 0.125 . 1 . . . . 78 GLU CA . 17165 1 978 . 1 1 78 78 GLU CB C 13 32.813 0.106 . 1 . . . . 78 GLU CB . 17165 1 979 . 1 1 78 78 GLU CG C 13 36.827 0.098 . 1 . . . . 78 GLU CG . 17165 1 980 . 1 1 78 78 GLU N N 15 122.941 0.032 . 1 . . . . 78 GLU N . 17165 1 981 . 1 1 79 79 TYR H H 1 9.602 0.004 . 1 . . . . 79 TYR H . 17165 1 982 . 1 1 79 79 TYR HA H 1 5.639 0.013 . 1 . . . . 79 TYR HA . 17165 1 983 . 1 1 79 79 TYR HB2 H 1 2.838 0.014 . 1 . . . . 79 TYR HB2 . 17165 1 984 . 1 1 79 79 TYR HB3 H 1 2.755 0.032 . 1 . . . . 79 TYR HB3 . 17165 1 985 . 1 1 79 79 TYR HD1 H 1 7.137 0.012 . 3 . . . . 79 TYR HD1 . 17165 1 986 . 1 1 79 79 TYR HD2 H 1 7.137 0.012 . 3 . . . . 79 TYR HD2 . 17165 1 987 . 1 1 79 79 TYR HE1 H 1 6.941 0.017 . 3 . . . . 79 TYR HE1 . 17165 1 988 . 1 1 79 79 TYR HE2 H 1 6.941 0.017 . 3 . . . . 79 TYR HE2 . 17165 1 989 . 1 1 79 79 TYR C C 13 175.263 0.030 . 1 . . . . 79 TYR C . 17165 1 990 . 1 1 79 79 TYR CA C 13 56.803 0.067 . 1 . . . . 79 TYR CA . 17165 1 991 . 1 1 79 79 TYR CB C 13 43.146 0.089 . 1 . . . . 79 TYR CB . 17165 1 992 . 1 1 79 79 TYR CD1 C 13 133.513 0.022 . 3 . . . . 79 TYR CD1 . 17165 1 993 . 1 1 79 79 TYR CD2 C 13 133.513 0.022 . 3 . . . . 79 TYR CD2 . 17165 1 994 . 1 1 79 79 TYR CE1 C 13 117.424 0.076 . 3 . . . . 79 TYR CE1 . 17165 1 995 . 1 1 79 79 TYR CE2 C 13 117.424 0.076 . 3 . . . . 79 TYR CE2 . 17165 1 996 . 1 1 79 79 TYR N N 15 123.831 0.029 . 1 . . . . 79 TYR N . 17165 1 997 . 1 1 80 80 ALA H H 1 8.796 0.007 . 1 . . . . 80 ALA H . 17165 1 998 . 1 1 80 80 ALA HA H 1 5.060 0.019 . 1 . . . . 80 ALA HA . 17165 1 999 . 1 1 80 80 ALA HB1 H 1 1.222 0.011 . 1 . . . . 80 ALA HB1 . 17165 1 1000 . 1 1 80 80 ALA HB2 H 1 1.222 0.011 . 1 . . . . 80 ALA HB2 . 17165 1 1001 . 1 1 80 80 ALA HB3 H 1 1.222 0.011 . 1 . . . . 80 ALA HB3 . 17165 1 1002 . 1 1 80 80 ALA C C 13 173.559 0.030 . 1 . . . . 80 ALA C . 17165 1 1003 . 1 1 80 80 ALA CA C 13 51.015 0.077 . 1 . . . . 80 ALA CA . 17165 1 1004 . 1 1 80 80 ALA CB C 13 24.287 0.106 . 1 . . . . 80 ALA CB . 17165 1 1005 . 1 1 80 80 ALA N N 15 121.091 0.03 . 1 . . . . 80 ALA N . 17165 1 1006 . 1 1 81 81 CYS H H 1 9.149 0.002 . 1 . . . . 81 CYS H . 17165 1 1007 . 1 1 81 81 CYS HA H 1 5.158 0.012 . 1 . . . . 81 CYS HA . 17165 1 1008 . 1 1 81 81 CYS HB2 H 1 3.071 0.014 . 1 . . . . 81 CYS HB2 . 17165 1 1009 . 1 1 81 81 CYS HB3 H 1 2.627 0.014 . 1 . . . . 81 CYS HB3 . 17165 1 1010 . 1 1 81 81 CYS C C 13 171.163 0.030 . 1 . . . . 81 CYS C . 17165 1 1011 . 1 1 81 81 CYS CA C 13 52.911 0.072 . 1 . . . . 81 CYS CA . 17165 1 1012 . 1 1 81 81 CYS CB C 13 43.491 0.105 . 1 . . . . 81 CYS CB . 17165 1 1013 . 1 1 81 81 CYS N N 15 119.892 0.012 . 1 . . . . 81 CYS N . 17165 1 1014 . 1 1 82 82 ARG H H 1 9.447 0.004 . 1 . . . . 82 ARG H . 17165 1 1015 . 1 1 82 82 ARG HA H 1 5.424 0.016 . 1 . . . . 82 ARG HA . 17165 1 1016 . 1 1 82 82 ARG HB2 H 1 1.810 0.019 . 1 . . . . 82 ARG HB2 . 17165 1 1017 . 1 1 82 82 ARG HB3 H 1 1.191 0.011 . 1 . . . . 82 ARG HB3 . 17165 1 1018 . 1 1 82 82 ARG HD2 H 1 3.109 0.008 . 1 . . . . 82 ARG HD2 . 17165 1 1019 . 1 1 82 82 ARG HD3 H 1 2.921 0.008 . 1 . . . . 82 ARG HD3 . 17165 1 1020 . 1 1 82 82 ARG HG2 H 1 1.325 0.012 . 1 . . . . 82 ARG HG2 . 17165 1 1021 . 1 1 82 82 ARG HG3 H 1 1.240 0.014 . 1 . . . . 82 ARG HG3 . 17165 1 1022 . 1 1 82 82 ARG C C 13 173.974 0.030 . 1 . . . . 82 ARG C . 17165 1 1023 . 1 1 82 82 ARG CA C 13 53.770 0.097 . 1 . . . . 82 ARG CA . 17165 1 1024 . 1 1 82 82 ARG CB C 13 33.923 0.081 . 1 . . . . 82 ARG CB . 17165 1 1025 . 1 1 82 82 ARG CD C 13 43.762 0.082 . 1 . . . . 82 ARG CD . 17165 1 1026 . 1 1 82 82 ARG CG C 13 26.456 0.136 . 1 . . . . 82 ARG CG . 17165 1 1027 . 1 1 82 82 ARG N N 15 128.503 0.034 . 1 . . . . 82 ARG N . 17165 1 1028 . 1 1 83 83 VAL H H 1 9.092 0.004 . 1 . . . . 83 VAL H . 17165 1 1029 . 1 1 83 83 VAL HA H 1 4.982 0.013 . 1 . . . . 83 VAL HA . 17165 1 1030 . 1 1 83 83 VAL HB H 1 1.684 0.01 . 1 . . . . 83 VAL HB . 17165 1 1031 . 1 1 83 83 VAL HG11 H 1 0.820 0.018 . 1 . . . . 83 VAL HG11 . 17165 1 1032 . 1 1 83 83 VAL HG12 H 1 0.820 0.018 . 1 . . . . 83 VAL HG12 . 17165 1 1033 . 1 1 83 83 VAL HG13 H 1 0.820 0.018 . 1 . . . . 83 VAL HG13 . 17165 1 1034 . 1 1 83 83 VAL HG21 H 1 0.614 0.011 . 1 . . . . 83 VAL HG21 . 17165 1 1035 . 1 1 83 83 VAL HG22 H 1 0.614 0.011 . 1 . . . . 83 VAL HG22 . 17165 1 1036 . 1 1 83 83 VAL HG23 H 1 0.614 0.011 . 1 . . . . 83 VAL HG23 . 17165 1 1037 . 1 1 83 83 VAL C C 13 173.277 0.030 . 1 . . . . 83 VAL C . 17165 1 1038 . 1 1 83 83 VAL CA C 13 60.330 0.069 . 1 . . . . 83 VAL CA . 17165 1 1039 . 1 1 83 83 VAL CB C 13 35.841 0.114 . 1 . . . . 83 VAL CB . 17165 1 1040 . 1 1 83 83 VAL CG1 C 13 23.269 0.107 . 1 . . . . 83 VAL CG1 . 17165 1 1041 . 1 1 83 83 VAL CG2 C 13 21.641 0.097 . 1 . . . . 83 VAL CG2 . 17165 1 1042 . 1 1 83 83 VAL N N 15 128.121 0.024 . 1 . . . . 83 VAL N . 17165 1 1043 . 1 1 84 84 ASN H H 1 9.065 0.004 . 1 . . . . 84 ASN H . 17165 1 1044 . 1 1 84 84 ASN HA H 1 5.221 0.012 . 1 . . . . 84 ASN HA . 17165 1 1045 . 1 1 84 84 ASN HB2 H 1 2.817 0.014 . 1 . . . . 84 ASN HB2 . 17165 1 1046 . 1 1 84 84 ASN HB3 H 1 2.430 0.016 . 1 . . . . 84 ASN HB3 . 17165 1 1047 . 1 1 84 84 ASN HD21 H 1 7.446 0.001 . 1 . . . . 84 ASN HD21 . 17165 1 1048 . 1 1 84 84 ASN HD22 H 1 6.688 0.004 . 1 . . . . 84 ASN HD22 . 17165 1 1049 . 1 1 84 84 ASN C C 13 172.811 0.030 . 1 . . . . 84 ASN C . 17165 1 1050 . 1 1 84 84 ASN CA C 13 51.133 0.047 . 1 . . . . 84 ASN CA . 17165 1 1051 . 1 1 84 84 ASN CB C 13 41.516 0.07 . 1 . . . . 84 ASN CB . 17165 1 1052 . 1 1 84 84 ASN CG C 13 175.837 0.012 . 1 . . . . 84 ASN CG . 17165 1 1053 . 1 1 84 84 ASN N N 15 123.556 0.04 . 1 . . . . 84 ASN N . 17165 1 1054 . 1 1 84 84 ASN ND2 N 15 110.963 0.15 . 1 . . . . 84 ASN ND2 . 17165 1 1055 . 1 1 85 85 HIS H H 1 7.726 0.003 . 1 . . . . 85 HIS H . 17165 1 1056 . 1 1 85 85 HIS HA H 1 4.560 0.017 . 1 . . . . 85 HIS HA . 17165 1 1057 . 1 1 85 85 HIS HB2 H 1 2.921 0.031 . 1 . . . . 85 HIS HB2 . 17165 1 1058 . 1 1 85 85 HIS HB3 H 1 2.426 0.019 . 1 . . . . 85 HIS HB3 . 17165 1 1059 . 1 1 85 85 HIS HD2 H 1 7.623 0.01 . 1 . . . . 85 HIS HD2 . 17165 1 1060 . 1 1 85 85 HIS C C 13 175.133 0.030 . 1 . . . . 85 HIS C . 17165 1 1061 . 1 1 85 85 HIS CA C 13 56.991 0.039 . 1 . . . . 85 HIS CA . 17165 1 1062 . 1 1 85 85 HIS CB C 13 36.203 0.129 . 1 . . . . 85 HIS CB . 17165 1 1063 . 1 1 85 85 HIS CD2 C 13 120.298 0.015 . 1 . . . . 85 HIS CD2 . 17165 1 1064 . 1 1 85 85 HIS N N 15 122.837 0.031 . 1 . . . . 85 HIS N . 17165 1 1065 . 1 1 86 86 VAL H H 1 8.107 0.01 . 1 . . . . 86 VAL H . 17165 1 1066 . 1 1 86 86 VAL HA H 1 3.998 0.015 . 1 . . . . 86 VAL HA . 17165 1 1067 . 1 1 86 86 VAL HB H 1 1.981 0.014 . 1 . . . . 86 VAL HB . 17165 1 1068 . 1 1 86 86 VAL HG11 H 1 0.890 0.012 . 1 . . . . 86 VAL HG11 . 17165 1 1069 . 1 1 86 86 VAL HG12 H 1 0.890 0.012 . 1 . . . . 86 VAL HG12 . 17165 1 1070 . 1 1 86 86 VAL HG13 H 1 0.890 0.012 . 1 . . . . 86 VAL HG13 . 17165 1 1071 . 1 1 86 86 VAL HG21 H 1 0.617 0.015 . 1 . . . . 86 VAL HG21 . 17165 1 1072 . 1 1 86 86 VAL HG22 H 1 0.617 0.015 . 1 . . . . 86 VAL HG22 . 17165 1 1073 . 1 1 86 86 VAL HG23 H 1 0.617 0.015 . 1 . . . . 86 VAL HG23 . 17165 1 1074 . 1 1 86 86 VAL C C 13 175.289 0.030 . 1 . . . . 86 VAL C . 17165 1 1075 . 1 1 86 86 VAL CA C 13 64.450 0.061 . 1 . . . . 86 VAL CA . 17165 1 1076 . 1 1 86 86 VAL CB C 13 31.303 0.106 . 1 . . . . 86 VAL CB . 17165 1 1077 . 1 1 86 86 VAL CG1 C 13 20.675 0.084 . 1 . . . . 86 VAL CG1 . 17165 1 1078 . 1 1 86 86 VAL CG2 C 13 19.650 0.086 . 1 . . . . 86 VAL CG2 . 17165 1 1079 . 1 1 86 86 VAL N N 15 125.039 0.062 . 1 . . . . 86 VAL N . 17165 1 1080 . 1 1 87 87 THR H H 1 7.510 0.004 . 1 . . . . 87 THR H . 17165 1 1081 . 1 1 87 87 THR HA H 1 4.180 0.019 . 1 . . . . 87 THR HA . 17165 1 1082 . 1 1 87 87 THR HB H 1 4.537 0.011 . 1 . . . . 87 THR HB . 17165 1 1083 . 1 1 87 87 THR HG21 H 1 1.499 0.014 . 1 . . . . 87 THR HG21 . 17165 1 1084 . 1 1 87 87 THR HG22 H 1 1.499 0.014 . 1 . . . . 87 THR HG22 . 17165 1 1085 . 1 1 87 87 THR HG23 H 1 1.499 0.014 . 1 . . . . 87 THR HG23 . 17165 1 1086 . 1 1 87 87 THR C C 13 174.522 0.030 . 1 . . . . 87 THR C . 17165 1 1087 . 1 1 87 87 THR CA C 13 63.180 0.083 . 1 . . . . 87 THR CA . 17165 1 1088 . 1 1 87 87 THR CB C 13 69.898 0.097 . 1 . . . . 87 THR CB . 17165 1 1089 . 1 1 87 87 THR CG2 C 13 23.546 0.124 . 1 . . . . 87 THR CG2 . 17165 1 1090 . 1 1 87 87 THR N N 15 110.646 0.031 . 1 . . . . 87 THR N . 17165 1 1091 . 1 1 88 88 LEU H H 1 8.124 0.009 . 1 . . . . 88 LEU H . 17165 1 1092 . 1 1 88 88 LEU HA H 1 4.790 0.012 . 1 . . . . 88 LEU HA . 17165 1 1093 . 1 1 88 88 LEU HB2 H 1 2.062 0.011 . 1 . . . . 88 LEU HB2 . 17165 1 1094 . 1 1 88 88 LEU HB3 H 1 1.835 0.014 . 1 . . . . 88 LEU HB3 . 17165 1 1095 . 1 1 88 88 LEU HD11 H 1 0.974 0.013 . 1 . . . . 88 LEU HD11 . 17165 1 1096 . 1 1 88 88 LEU HD12 H 1 0.974 0.013 . 1 . . . . 88 LEU HD12 . 17165 1 1097 . 1 1 88 88 LEU HD13 H 1 0.974 0.013 . 1 . . . . 88 LEU HD13 . 17165 1 1098 . 1 1 88 88 LEU HD21 H 1 0.983 0.01 . 1 . . . . 88 LEU HD21 . 17165 1 1099 . 1 1 88 88 LEU HD22 H 1 0.983 0.01 . 1 . . . . 88 LEU HD22 . 17165 1 1100 . 1 1 88 88 LEU HD23 H 1 0.983 0.01 . 1 . . . . 88 LEU HD23 . 17165 1 1101 . 1 1 88 88 LEU HG H 1 1.721 0.01 . 1 . . . . 88 LEU HG . 17165 1 1102 . 1 1 88 88 LEU CA C 13 53.366 0.121 . 1 . . . . 88 LEU CA . 17165 1 1103 . 1 1 88 88 LEU CB C 13 42.736 0.161 . 1 . . . . 88 LEU CB . 17165 1 1104 . 1 1 88 88 LEU CD1 C 13 26.686 0.202 . 1 . . . . 88 LEU CD1 . 17165 1 1105 . 1 1 88 88 LEU CD2 C 13 23.236 0.128 . 1 . . . . 88 LEU CD2 . 17165 1 1106 . 1 1 88 88 LEU CG C 13 26.513 0.08 . 1 . . . . 88 LEU CG . 17165 1 1107 . 1 1 88 88 LEU N N 15 123.469 0.014 . 1 . . . . 88 LEU N . 17165 1 1108 . 1 1 89 89 SER H H 1 7.838 0.030 . 1 . . . . 89 SER H . 17165 1 1109 . 1 1 89 89 SER HA H 1 4.255 0.017 . 1 . . . . 89 SER HA . 17165 1 1110 . 1 1 89 89 SER HB2 H 1 4.001 0.012 . 1 . . . . 89 SER HB2 . 17165 1 1111 . 1 1 89 89 SER HB3 H 1 3.966 0.016 . 1 . . . . 89 SER HB3 . 17165 1 1112 . 1 1 89 89 SER HG H 1 4.823 0.001 . 1 . . . . 89 SER HG . 17165 1 1113 . 1 1 89 89 SER C C 13 174.041 0.030 . 1 . . . . 89 SER C . 17165 1 1114 . 1 1 89 89 SER CA C 13 60.388 0.043 . 1 . . . . 89 SER CA . 17165 1 1115 . 1 1 89 89 SER CB C 13 62.998 0.066 . 1 . . . . 89 SER CB . 17165 1 1116 . 1 1 90 90 GLN H H 1 7.530 0.002 . 1 . . . . 90 GLN H . 17165 1 1117 . 1 1 90 90 GLN HA H 1 4.764 0.006 . 1 . . . . 90 GLN HA . 17165 1 1118 . 1 1 90 90 GLN HB2 H 1 2.173 0.01 . 1 . . . . 90 GLN HB2 . 17165 1 1119 . 1 1 90 90 GLN HB3 H 1 1.903 0.01 . 1 . . . . 90 GLN HB3 . 17165 1 1120 . 1 1 90 90 GLN HE21 H 1 7.607 0.001 . 1 . . . . 90 GLN HE21 . 17165 1 1121 . 1 1 90 90 GLN HE22 H 1 6.894 0.001 . 1 . . . . 90 GLN HE22 . 17165 1 1122 . 1 1 90 90 GLN HG2 H 1 2.310 0.018 . 1 . . . . 90 GLN HG2 . 17165 1 1123 . 1 1 90 90 GLN HG3 H 1 2.275 0.015 . 1 . . . . 90 GLN HG3 . 17165 1 1124 . 1 1 90 90 GLN CA C 13 53.190 0.084 . 1 . . . . 90 GLN CA . 17165 1 1125 . 1 1 90 90 GLN CB C 13 29.818 0.107 . 1 . . . . 90 GLN CB . 17165 1 1126 . 1 1 90 90 GLN CD C 13 171.365 0.01 . 1 . . . . 90 GLN CD . 17165 1 1127 . 1 1 90 90 GLN CG C 13 32.928 0.095 . 1 . . . . 90 GLN CG . 17165 1 1128 . 1 1 90 90 GLN N N 15 117.161 0.02 . 1 . . . . 90 GLN N . 17165 1 1129 . 1 1 90 90 GLN NE2 N 15 112.486 0.179 . 1 . . . . 90 GLN NE2 . 17165 1 1130 . 1 1 91 91 PRO HA H 1 4.526 0.014 . 1 . . . . 91 PRO HA . 17165 1 1131 . 1 1 91 91 PRO HB2 H 1 1.857 0.013 . 1 . . . . 91 PRO HB2 . 17165 1 1132 . 1 1 91 91 PRO HB3 H 1 1.508 0.008 . 1 . . . . 91 PRO HB3 . 17165 1 1133 . 1 1 91 91 PRO HD2 H 1 3.765 0.007 . 1 . . . . 91 PRO HD2 . 17165 1 1134 . 1 1 91 91 PRO HD3 H 1 3.524 0.009 . 1 . . . . 91 PRO HD3 . 17165 1 1135 . 1 1 91 91 PRO HG2 H 1 2.015 0.009 . 1 . . . . 91 PRO HG2 . 17165 1 1136 . 1 1 91 91 PRO HG3 H 1 1.784 0.011 . 1 . . . . 91 PRO HG3 . 17165 1 1137 . 1 1 91 91 PRO C C 13 175.799 0.030 . 1 . . . . 91 PRO C . 17165 1 1138 . 1 1 91 91 PRO CA C 13 63.567 0.085 . 1 . . . . 91 PRO CA . 17165 1 1139 . 1 1 91 91 PRO CB C 13 31.884 0.155 . 1 . . . . 91 PRO CB . 17165 1 1140 . 1 1 91 91 PRO CD C 13 50.117 0.126 . 1 . . . . 91 PRO CD . 17165 1 1141 . 1 1 91 91 PRO CG C 13 27.621 0.142 . 1 . . . . 91 PRO CG . 17165 1 1142 . 1 1 92 92 LYS H H 1 8.821 0.006 . 1 . . . . 92 LYS H . 17165 1 1143 . 1 1 92 92 LYS HA H 1 4.532 0.011 . 1 . . . . 92 LYS HA . 17165 1 1144 . 1 1 92 92 LYS HB2 H 1 1.778 0.012 . 1 . . . . 92 LYS HB2 . 17165 1 1145 . 1 1 92 92 LYS HB3 H 1 1.661 0.008 . 1 . . . . 92 LYS HB3 . 17165 1 1146 . 1 1 92 92 LYS HD2 H 1 1.699 0.01 . 1 . . . . 92 LYS HD2 . 17165 1 1147 . 1 1 92 92 LYS HD3 H 1 1.702 0.017 . 1 . . . . 92 LYS HD3 . 17165 1 1148 . 1 1 92 92 LYS HE2 H 1 3.004 0.014 . 1 . . . . 92 LYS HE2 . 17165 1 1149 . 1 1 92 92 LYS HE3 H 1 3.006 0.013 . 1 . . . . 92 LYS HE3 . 17165 1 1150 . 1 1 92 92 LYS HG2 H 1 1.418 0.007 . 1 . . . . 92 LYS HG2 . 17165 1 1151 . 1 1 92 92 LYS HG3 H 1 1.329 0.023 . 1 . . . . 92 LYS HG3 . 17165 1 1152 . 1 1 92 92 LYS C C 13 174.574 0.030 . 1 . . . . 92 LYS C . 17165 1 1153 . 1 1 92 92 LYS CA C 13 55.004 0.069 . 1 . . . . 92 LYS CA . 17165 1 1154 . 1 1 92 92 LYS CB C 13 35.378 0.094 . 1 . . . . 92 LYS CB . 17165 1 1155 . 1 1 92 92 LYS CD C 13 29.179 0.089 . 1 . . . . 92 LYS CD . 17165 1 1156 . 1 1 92 92 LYS CE C 13 42.012 0.086 . 1 . . . . 92 LYS CE . 17165 1 1157 . 1 1 92 92 LYS CG C 13 25.337 0.093 . 1 . . . . 92 LYS CG . 17165 1 1158 . 1 1 92 92 LYS N N 15 125.613 0.07 . 1 . . . . 92 LYS N . 17165 1 1159 . 1 1 93 93 ILE H H 1 8.621 0.004 . 1 . . . . 93 ILE H . 17165 1 1160 . 1 1 93 93 ILE HA H 1 4.818 0.015 . 1 . . . . 93 ILE HA . 17165 1 1161 . 1 1 93 93 ILE HB H 1 1.703 0.011 . 1 . . . . 93 ILE HB . 17165 1 1162 . 1 1 93 93 ILE HD11 H 1 0.763 0.01 . 1 . . . . 93 ILE HD11 . 17165 1 1163 . 1 1 93 93 ILE HD12 H 1 0.763 0.01 . 1 . . . . 93 ILE HD12 . 17165 1 1164 . 1 1 93 93 ILE HD13 H 1 0.763 0.01 . 1 . . . . 93 ILE HD13 . 17165 1 1165 . 1 1 93 93 ILE HG12 H 1 1.441 0.006 . 1 . . . . 93 ILE HG12 . 17165 1 1166 . 1 1 93 93 ILE HG13 H 1 0.752 0.015 . 1 . . . . 93 ILE HG13 . 17165 1 1167 . 1 1 93 93 ILE HG21 H 1 0.631 0.012 . 1 . . . . 93 ILE HG21 . 17165 1 1168 . 1 1 93 93 ILE HG22 H 1 0.631 0.012 . 1 . . . . 93 ILE HG22 . 17165 1 1169 . 1 1 93 93 ILE HG23 H 1 0.631 0.012 . 1 . . . . 93 ILE HG23 . 17165 1 1170 . 1 1 93 93 ILE C C 13 175.802 0.030 . 1 . . . . 93 ILE C . 17165 1 1171 . 1 1 93 93 ILE CA C 13 60.464 0.074 . 1 . . . . 93 ILE CA . 17165 1 1172 . 1 1 93 93 ILE CB C 13 38.825 0.118 . 1 . . . . 93 ILE CB . 17165 1 1173 . 1 1 93 93 ILE CD1 C 13 13.064 0.162 . 1 . . . . 93 ILE CD1 . 17165 1 1174 . 1 1 93 93 ILE CG1 C 13 28.401 0.131 . 1 . . . . 93 ILE CG1 . 17165 1 1175 . 1 1 93 93 ILE CG2 C 13 18.353 0.136 . 1 . . . . 93 ILE CG2 . 17165 1 1176 . 1 1 93 93 ILE N N 15 125.553 0.019 . 1 . . . . 93 ILE N . 17165 1 1177 . 1 1 94 94 VAL H H 1 9.133 0.01 . 1 . . . . 94 VAL H . 17165 1 1178 . 1 1 94 94 VAL HA H 1 4.342 0.019 . 1 . . . . 94 VAL HA . 17165 1 1179 . 1 1 94 94 VAL HB H 1 1.900 0.011 . 1 . . . . 94 VAL HB . 17165 1 1180 . 1 1 94 94 VAL HG11 H 1 1.046 0.014 . 1 . . . . 94 VAL HG11 . 17165 1 1181 . 1 1 94 94 VAL HG12 H 1 1.046 0.014 . 1 . . . . 94 VAL HG12 . 17165 1 1182 . 1 1 94 94 VAL HG13 H 1 1.046 0.014 . 1 . . . . 94 VAL HG13 . 17165 1 1183 . 1 1 94 94 VAL HG21 H 1 0.929 0.014 . 1 . . . . 94 VAL HG21 . 17165 1 1184 . 1 1 94 94 VAL HG22 H 1 0.929 0.014 . 1 . . . . 94 VAL HG22 . 17165 1 1185 . 1 1 94 94 VAL HG23 H 1 0.929 0.014 . 1 . . . . 94 VAL HG23 . 17165 1 1186 . 1 1 94 94 VAL C C 13 175.103 0.030 . 1 . . . . 94 VAL C . 17165 1 1187 . 1 1 94 94 VAL CA C 13 61.445 0.071 . 1 . . . . 94 VAL CA . 17165 1 1188 . 1 1 94 94 VAL CB C 13 34.110 0.114 . 1 . . . . 94 VAL CB . 17165 1 1189 . 1 1 94 94 VAL CG1 C 13 21.593 0.091 . 1 . . . . 94 VAL CG1 . 17165 1 1190 . 1 1 94 94 VAL CG2 C 13 21.617 0.123 . 1 . . . . 94 VAL CG2 . 17165 1 1191 . 1 1 94 94 VAL N N 15 130.048 0.045 . 1 . . . . 94 VAL N . 17165 1 1192 . 1 1 95 95 LYS H H 1 8.895 0.004 . 1 . . . . 95 LYS H . 17165 1 1193 . 1 1 95 95 LYS HA H 1 4.440 0.024 . 1 . . . . 95 LYS HA . 17165 1 1194 . 1 1 95 95 LYS HB2 H 1 1.882 0.012 . 1 . . . . 95 LYS HB2 . 17165 1 1195 . 1 1 95 95 LYS HB3 H 1 1.842 0.006 . 1 . . . . 95 LYS HB3 . 17165 1 1196 . 1 1 95 95 LYS HD2 H 1 1.706 0.007 . 1 . . . . 95 LYS HD2 . 17165 1 1197 . 1 1 95 95 LYS HD3 H 1 1.706 0.007 . 1 . . . . 95 LYS HD3 . 17165 1 1198 . 1 1 95 95 LYS HE2 H 1 2.984 0.007 . 1 . . . . 95 LYS HE2 . 17165 1 1199 . 1 1 95 95 LYS HE3 H 1 2.984 0.007 . 1 . . . . 95 LYS HE3 . 17165 1 1200 . 1 1 95 95 LYS HG2 H 1 1.564 0.009 . 1 . . . . 95 LYS HG2 . 17165 1 1201 . 1 1 95 95 LYS HG3 H 1 1.443 0.007 . 1 . . . . 95 LYS HG3 . 17165 1 1202 . 1 1 95 95 LYS C C 13 176.222 0.030 . 1 . . . . 95 LYS C . 17165 1 1203 . 1 1 95 95 LYS CA C 13 56.655 0.04 . 1 . . . . 95 LYS CA . 17165 1 1204 . 1 1 95 95 LYS CB C 13 33.609 0.083 . 1 . . . . 95 LYS CB . 17165 1 1205 . 1 1 95 95 LYS CD C 13 29.444 0.11 . 1 . . . . 95 LYS CD . 17165 1 1206 . 1 1 95 95 LYS CE C 13 41.850 0.036 . 1 . . . . 95 LYS CE . 17165 1 1207 . 1 1 95 95 LYS CG C 13 25.404 0.187 . 1 . . . . 95 LYS CG . 17165 1 1208 . 1 1 95 95 LYS N N 15 127.920 0.029 . 1 . . . . 95 LYS N . 17165 1 1209 . 1 1 96 96 TRP H H 1 8.762 0.005 . 1 . . . . 96 TRP H . 17165 1 1210 . 1 1 96 96 TRP HA H 1 4.660 0.013 . 1 . . . . 96 TRP HA . 17165 1 1211 . 1 1 96 96 TRP HB2 H 1 3.537 0.016 . 1 . . . . 96 TRP HB2 . 17165 1 1212 . 1 1 96 96 TRP HB3 H 1 2.621 0.01 . 1 . . . . 96 TRP HB3 . 17165 1 1213 . 1 1 96 96 TRP HD1 H 1 7.139 0.006 . 1 . . . . 96 TRP HD1 . 17165 1 1214 . 1 1 96 96 TRP HE1 H 1 10.540 0.004 . 1 . . . . 96 TRP HE1 . 17165 1 1215 . 1 1 96 96 TRP HE3 H 1 8.033 0.012 . 1 . . . . 96 TRP HE3 . 17165 1 1216 . 1 1 96 96 TRP HH2 H 1 6.980 0.006 . 1 . . . . 96 TRP HH2 . 17165 1 1217 . 1 1 96 96 TRP HZ2 H 1 7.667 0.007 . 1 . . . . 96 TRP HZ2 . 17165 1 1218 . 1 1 96 96 TRP HZ3 H 1 7.544 0.009 . 1 . . . . 96 TRP HZ3 . 17165 1 1219 . 1 1 96 96 TRP C C 13 174.318 0.030 . 1 . . . . 96 TRP C . 17165 1 1220 . 1 1 96 96 TRP CA C 13 56.902 0.05 . 1 . . . . 96 TRP CA . 17165 1 1221 . 1 1 96 96 TRP CB C 13 28.277 0.137 . 1 . . . . 96 TRP CB . 17165 1 1222 . 1 1 96 96 TRP CD1 C 13 125.265 0.06 . 1 . . . . 96 TRP CD1 . 17165 1 1223 . 1 1 96 96 TRP CE3 C 13 121.411 0.121 . 1 . . . . 96 TRP CE3 . 17165 1 1224 . 1 1 96 96 TRP CH2 C 13 123.659 0.056 . 1 . . . . 96 TRP CH2 . 17165 1 1225 . 1 1 96 96 TRP CZ2 C 13 113.460 0.09 . 1 . . . . 96 TRP CZ2 . 17165 1 1226 . 1 1 96 96 TRP CZ3 C 13 121.906 0.086 . 1 . . . . 96 TRP CZ3 . 17165 1 1227 . 1 1 96 96 TRP N N 15 122.441 0.031 . 1 . . . . 96 TRP N . 17165 1 1228 . 1 1 96 96 TRP NE1 N 15 129.615 0.0 . 1 . . . . 96 TRP NE1 . 17165 1 1229 . 1 1 97 97 ASP H H 1 8.564 0.006 . 1 . . . . 97 ASP H . 17165 1 1230 . 1 1 97 97 ASP HA H 1 4.515 0.008 . 1 . . . . 97 ASP HA . 17165 1 1231 . 1 1 97 97 ASP HB2 H 1 2.800 0.018 . 1 . . . . 97 ASP HB2 . 17165 1 1232 . 1 1 97 97 ASP HB3 H 1 2.467 0.011 . 1 . . . . 97 ASP HB3 . 17165 1 1233 . 1 1 97 97 ASP C C 13 175.071 0.030 . 1 . . . . 97 ASP C . 17165 1 1234 . 1 1 97 97 ASP CA C 13 52.830 0.068 . 1 . . . . 97 ASP CA . 17165 1 1235 . 1 1 97 97 ASP CB C 13 41.725 0.052 . 1 . . . . 97 ASP CB . 17165 1 1236 . 1 1 97 97 ASP N N 15 131.776 0.073 . 1 . . . . 97 ASP N . 17165 1 1237 . 1 1 98 98 ARG H H 1 7.601 0.004 . 1 . . . . 98 ARG H . 17165 1 1238 . 1 1 98 98 ARG HA H 1 3.472 0.01 . 1 . . . . 98 ARG HA . 17165 1 1239 . 1 1 98 98 ARG HB2 H 1 1.447 0.009 . 1 . . . . 98 ARG HB2 . 17165 1 1240 . 1 1 98 98 ARG HB3 H 1 1.064 0.012 . 1 . . . . 98 ARG HB3 . 17165 1 1241 . 1 1 98 98 ARG HD2 H 1 2.982 0.014 . 1 . . . . 98 ARG HD2 . 17165 1 1242 . 1 1 98 98 ARG HD3 H 1 2.934 0.015 . 1 . . . . 98 ARG HD3 . 17165 1 1243 . 1 1 98 98 ARG HG2 H 1 1.179 0.009 . 1 . . . . 98 ARG HG2 . 17165 1 1244 . 1 1 98 98 ARG HG3 H 1 0.933 0.007 . 1 . . . . 98 ARG HG3 . 17165 1 1245 . 1 1 98 98 ARG C C 13 175.659 0.030 . 1 . . . . 98 ARG C . 17165 1 1246 . 1 1 98 98 ARG CA C 13 56.662 0.045 . 1 . . . . 98 ARG CA . 17165 1 1247 . 1 1 98 98 ARG CB C 13 29.893 0.107 . 1 . . . . 98 ARG CB . 17165 1 1248 . 1 1 98 98 ARG CD C 13 43.627 0.042 . 1 . . . . 98 ARG CD . 17165 1 1249 . 1 1 98 98 ARG CG C 13 24.927 0.131 . 1 . . . . 98 ARG CG . 17165 1 1250 . 1 1 98 98 ARG N N 15 121.354 0.024 . 1 . . . . 98 ARG N . 17165 1 1251 . 1 1 99 99 ASP H H 1 8.259 0.003 . 1 . . . . 99 ASP H . 17165 1 1252 . 1 1 99 99 ASP HA H 1 4.687 0.01 . 1 . . . . 99 ASP HA . 17165 1 1253 . 1 1 99 99 ASP HB2 H 1 2.796 0.012 . 1 . . . . 99 ASP HB2 . 17165 1 1254 . 1 1 99 99 ASP HB3 H 1 2.604 0.015 . 1 . . . . 99 ASP HB3 . 17165 1 1255 . 1 1 99 99 ASP C C 13 175.218 0.030 . 1 . . . . 99 ASP C . 17165 1 1256 . 1 1 99 99 ASP CA C 13 54.653 0.037 . 1 . . . . 99 ASP CA . 17165 1 1257 . 1 1 99 99 ASP CB C 13 41.220 0.074 . 1 . . . . 99 ASP CB . 17165 1 1258 . 1 1 99 99 ASP N N 15 120.140 0.022 . 1 . . . . 99 ASP N . 17165 1 1259 . 1 1 100 100 MET H H 1 7.614 0.003 . 1 . . . . 100 MET H . 17165 1 1260 . 1 1 100 100 MET HA H 1 4.311 0.009 . 1 . . . . 100 MET HA . 17165 1 1261 . 1 1 100 100 MET HB2 H 1 2.183 0.008 . 1 . . . . 100 MET HB2 . 17165 1 1262 . 1 1 100 100 MET HB3 H 1 2.046 0.01 . 1 . . . . 100 MET HB3 . 17165 1 1263 . 1 1 100 100 MET HG2 H 1 2.598 0.02 . 1 . . . . 100 MET HG2 . 17165 1 1264 . 1 1 100 100 MET HG3 H 1 2.554 0.028 . 1 . . . . 100 MET HG3 . 17165 1 1265 . 1 1 100 100 MET CA C 13 57.248 0.065 . 1 . . . . 100 MET CA . 17165 1 1266 . 1 1 100 100 MET CB C 13 34.006 0.103 . 1 . . . . 100 MET CB . 17165 1 1267 . 1 1 100 100 MET CG C 13 32.402 0.152 . 1 . . . . 100 MET CG . 17165 1 1268 . 1 1 100 100 MET N N 15 125.307 0.035 . 1 . . . . 100 MET N . 17165 1 stop_ save_