################################### # 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 15002 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_H2O _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' 3 $15N_13C_labelled_sample isotropic 15002 1 3 '3D HNCACB' 3 $15N_13C_labelled_sample isotropic 15002 1 5 '3D CBCACONH' 3 $15N_13C_labelled_sample isotropic 15002 1 6 '3D HCCH-TOCSY' 4 $D2O_sample isotropic 15002 1 7 '3D HCCH-COSY' 4 $D2O_sample isotropic 15002 1 8 '3D 1H-15N NOESY' 3 $15N_13C_labelled_sample isotropic 15002 1 11 C(CO)NH-TOCSY 3 $15N_13C_labelled_sample isotropic 15002 1 12 H(CCO)NH-TOCSY 3 $15N_13C_labelled_sample isotropic 15002 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 1 $SPARKY . . 15002 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 2 2 SER HA H 1 4.512 0.001 . . . . . . 2 SER HA . 15002 1 2 . 1 1 2 2 SER HB2 H 1 3.845 0.004 . . . . . . 2 SER QB . 15002 1 3 . 1 1 2 2 SER HB3 H 1 3.845 0.004 . . . . . . 2 SER QB . 15002 1 4 . 1 1 2 2 SER C C 13 174.082 0.000 . . . . . . 2 SER C . 15002 1 5 . 1 1 2 2 SER CA C 13 58.270 0.055 . . . . . . 2 SER CA . 15002 1 6 . 1 1 2 2 SER CB C 13 63.832 0.172 . . . . . . 2 SER CB . 15002 1 7 . 1 1 3 3 MET H H 1 8.483 0.004 . . . . . . 3 MET HN . 15002 1 8 . 1 1 3 3 MET HA H 1 4.806 0.004 . . . . . . 3 MET HA . 15002 1 9 . 1 1 3 3 MET HB2 H 1 2.045 0.001 . . . . . . 3 MET HB2 . 15002 1 10 . 1 1 3 3 MET HB3 H 1 1.964 0.002 . . . . . . 3 MET HB3 . 15002 1 11 . 1 1 3 3 MET HG2 H 1 2.630 0.002 . . . . . . 3 MET HG2 . 15002 1 12 . 1 1 3 3 MET HG3 H 1 2.566 0.002 . . . . . . 3 MET HG3 . 15002 1 13 . 1 1 3 3 MET CA C 13 53.568 0.121 . . . . . . 3 MET CA . 15002 1 14 . 1 1 3 3 MET CB C 13 32.422 0.044 . . . . . . 3 MET CB . 15002 1 15 . 1 1 3 3 MET CG C 13 32.138 0.000 . . . . . . 3 MET CG . 15002 1 16 . 1 1 3 3 MET N N 15 123.596 0.052 . . . . . . 3 MET N . 15002 1 17 . 1 1 4 4 PRO HA H 1 4.423 0.003 . . . . . . 4 PRO HA . 15002 1 18 . 1 1 4 4 PRO HB2 H 1 2.262 0.011 . . . . . . 4 PRO HB2 . 15002 1 19 . 1 1 4 4 PRO HB3 H 1 1.834 0.010 . . . . . . 4 PRO HB3 . 15002 1 20 . 1 1 4 4 PRO HG2 H 1 1.994 0.012 . . . . . . 4 PRO QG . 15002 1 21 . 1 1 4 4 PRO HG3 H 1 1.994 0.012 . . . . . . 4 PRO QG . 15002 1 22 . 1 1 4 4 PRO HD2 H 1 3.832 0.010 . . . . . . 4 PRO HD2 . 15002 1 23 . 1 1 4 4 PRO HD3 H 1 3.668 0.003 . . . . . . 4 PRO HD3 . 15002 1 24 . 1 1 4 4 PRO C C 13 176.438 0.000 . . . . . . 4 PRO C . 15002 1 25 . 1 1 4 4 PRO CA C 13 63.292 0.082 . . . . . . 4 PRO CA . 15002 1 26 . 1 1 4 4 PRO CB C 13 32.038 0.030 . . . . . . 4 PRO CB . 15002 1 27 . 1 1 4 4 PRO CG C 13 27.458 0.048 . . . . . . 4 PRO CG . 15002 1 28 . 1 1 4 4 PRO CD C 13 50.669 0.045 . . . . . . 4 PRO CD . 15002 1 29 . 1 1 4 4 PRO N N 15 138.149 0.006 . . . . . . 4 PRO N . 15002 1 30 . 1 1 5 5 THR H H 1 8.022 0.003 . . . . . . 5 THR HN . 15002 1 31 . 1 1 5 5 THR HA H 1 3.922 0.005 . . . . . . 5 THR HA . 15002 1 32 . 1 1 5 5 THR HB H 1 3.391 0.003 . . . . . . 5 THR HB . 15002 1 33 . 1 1 5 5 THR HG21 H 1 0.638 0.002 . . . . . . 5 THR QG2 . 15002 1 34 . 1 1 5 5 THR HG22 H 1 0.638 0.002 . . . . . . 5 THR QG2 . 15002 1 35 . 1 1 5 5 THR HG23 H 1 0.638 0.002 . . . . . . 5 THR QG2 . 15002 1 36 . 1 1 5 5 THR C C 13 173.097 0.000 . . . . . . 5 THR C . 15002 1 37 . 1 1 5 5 THR CA C 13 61.760 0.084 . . . . . . 5 THR CA . 15002 1 38 . 1 1 5 5 THR CB C 13 69.286 0.035 . . . . . . 5 THR CB . 15002 1 39 . 1 1 5 5 THR CG2 C 13 21.324 0.083 . . . . . . 5 THR CG2 . 15002 1 40 . 1 1 5 5 THR N N 15 116.732 0.024 . . . . . . 5 THR N . 15002 1 41 . 1 1 6 6 THR H H 1 7.925 0.003 . . . . . . 6 THR HN . 15002 1 42 . 1 1 6 6 THR HA H 1 4.486 0.012 . . . . . . 6 THR HA . 15002 1 43 . 1 1 6 6 THR HB H 1 4.093 0.005 . . . . . . 6 THR HB . 15002 1 44 . 1 1 6 6 THR HG21 H 1 1.155 0.003 . . . . . . 6 THR QG2 . 15002 1 45 . 1 1 6 6 THR HG22 H 1 1.155 0.003 . . . . . . 6 THR QG2 . 15002 1 46 . 1 1 6 6 THR HG23 H 1 1.155 0.003 . . . . . . 6 THR QG2 . 15002 1 47 . 1 1 6 6 THR C C 13 172.807 0.000 . . . . . . 6 THR C . 15002 1 48 . 1 1 6 6 THR CA C 13 60.875 0.037 . . . . . . 6 THR CA . 15002 1 49 . 1 1 6 6 THR CB C 13 70.856 0.038 . . . . . . 6 THR CB . 15002 1 50 . 1 1 6 6 THR CG2 C 13 21.533 0.016 . . . . . . 6 THR CG2 . 15002 1 51 . 1 1 6 6 THR N N 15 117.908 0.034 . . . . . . 6 THR N . 15002 1 52 . 1 1 7 7 CYS H H 1 9.090 0.006 . . . . . . 7 CYS HN . 15002 1 53 . 1 1 7 7 CYS HA H 1 4.610 0.007 . . . . . . 7 CYS HA . 15002 1 54 . 1 1 7 7 CYS HB2 H 1 3.395 0.004 . . . . . . 7 CYS HB2 . 15002 1 55 . 1 1 7 7 CYS HB3 H 1 3.111 0.001 . . . . . . 7 CYS HB3 . 15002 1 56 . 1 1 7 7 CYS C C 13 176.497 0.000 . . . . . . 7 CYS C . 15002 1 57 . 1 1 7 7 CYS CA C 13 60.531 0.058 . . . . . . 7 CYS CA . 15002 1 58 . 1 1 7 7 CYS CB C 13 31.561 0.063 . . . . . . 7 CYS CB . 15002 1 59 . 1 1 7 7 CYS N N 15 126.510 0.010 . . . . . . 7 CYS N . 15002 1 60 . 1 1 8 8 GLY H H 1 9.887 0.003 . . . . . . 8 GLY HN . 15002 1 61 . 1 1 8 8 GLY HA2 H 1 4.568 0.003 . . . . . . 8 GLY HA1 . 15002 1 62 . 1 1 8 8 GLY HA3 H 1 3.605 0.004 . . . . . . 8 GLY HA2 . 15002 1 63 . 1 1 8 8 GLY C C 13 173.070 0.000 . . . . . . 8 GLY C . 15002 1 64 . 1 1 8 8 GLY CA C 13 45.487 0.065 . . . . . . 8 GLY CA . 15002 1 65 . 1 1 8 8 GLY N N 15 118.249 0.023 . . . . . . 8 GLY N . 15002 1 66 . 1 1 9 9 PHE H H 1 10.079 0.003 . . . . . . 9 PHE HN . 15002 1 67 . 1 1 9 9 PHE HA H 1 4.040 0.005 . . . . . . 9 PHE HA . 15002 1 68 . 1 1 9 9 PHE HB2 H 1 3.166 0.005 . . . . . . 9 PHE HB2 . 15002 1 69 . 1 1 9 9 PHE HB3 H 1 2.403 0.007 . . . . . . 9 PHE HB3 . 15002 1 70 . 1 1 9 9 PHE HD1 H 1 6.646 0.006 . . . . . . 9 PHE QD . 15002 1 71 . 1 1 9 9 PHE HD2 H 1 6.646 0.006 . . . . . . 9 PHE QD . 15002 1 72 . 1 1 9 9 PHE HE1 H 1 6.895 0.004 . . . . . . 9 PHE QE . 15002 1 73 . 1 1 9 9 PHE HE2 H 1 6.895 0.004 . . . . . . 9 PHE QE . 15002 1 74 . 1 1 9 9 PHE HZ H 1 6.972 0.007 . . . . . . 9 PHE HZ . 15002 1 75 . 1 1 9 9 PHE CA C 13 57.982 0.018 . . . . . . 9 PHE CA . 15002 1 76 . 1 1 9 9 PHE CB C 13 41.647 0.075 . . . . . . 9 PHE CB . 15002 1 77 . 1 1 9 9 PHE CD1 C 13 131.169 0.054 . . . . . . 9 PHE CD1 . 15002 1 78 . 1 1 9 9 PHE CD2 C 13 131.169 0.054 . . . . . . 9 PHE CD2 . 15002 1 79 . 1 1 9 9 PHE CE1 C 13 130.842 0.033 . . . . . . 9 PHE CE1 . 15002 1 80 . 1 1 9 9 PHE CE2 C 13 130.842 0.033 . . . . . . 9 PHE CE2 . 15002 1 81 . 1 1 9 9 PHE CZ C 13 129.748 0.000 . . . . . . 9 PHE CZ . 15002 1 82 . 1 1 9 9 PHE N N 15 131.026 0.029 . . . . . . 9 PHE N . 15002 1 83 . 1 1 10 10 PRO HA H 1 4.135 0.007 . . . . . . 10 PRO HA . 15002 1 84 . 1 1 10 10 PRO HB2 H 1 2.064 0.005 . . . . . . 10 PRO HB2 . 15002 1 85 . 1 1 10 10 PRO HB3 H 1 1.747 0.012 . . . . . . 10 PRO HB3 . 15002 1 86 . 1 1 10 10 PRO HG2 H 1 1.642 0.011 . . . . . . 10 PRO QG . 15002 1 87 . 1 1 10 10 PRO HG3 H 1 1.642 0.011 . . . . . . 10 PRO QG . 15002 1 88 . 1 1 10 10 PRO HD2 H 1 3.327 0.006 . . . . . . 10 PRO HD2 . 15002 1 89 . 1 1 10 10 PRO HD3 H 1 1.845 0.007 . . . . . . 10 PRO HD3 . 15002 1 90 . 1 1 10 10 PRO C C 13 176.298 0.000 . . . . . . 10 PRO C . 15002 1 91 . 1 1 10 10 PRO CA C 13 63.928 0.055 . . . . . . 10 PRO CA . 15002 1 92 . 1 1 10 10 PRO CB C 13 31.337 0.135 . . . . . . 10 PRO CB . 15002 1 93 . 1 1 10 10 PRO CG C 13 27.706 0.044 . . . . . . 10 PRO CG . 15002 1 94 . 1 1 10 10 PRO CD C 13 50.059 0.056 . . . . . . 10 PRO CD . 15002 1 95 . 1 1 10 10 PRO N N 15 114.146 0.002 . . . . . . 10 PRO N . 15002 1 96 . 1 1 11 11 ASN H H 1 9.086 0.004 . . . . . . 11 ASN HN . 15002 1 97 . 1 1 11 11 ASN HA H 1 4.296 0.006 . . . . . . 11 ASN HA . 15002 1 98 . 1 1 11 11 ASN HB2 H 1 2.971 0.003 . . . . . . 11 ASN HB2 . 15002 1 99 . 1 1 11 11 ASN HB3 H 1 2.801 0.002 . . . . . . 11 ASN HB3 . 15002 1 100 . 1 1 11 11 ASN HD21 H 1 7.622 0.000 . . . . . . 11 ASN HD21 . 15002 1 101 . 1 1 11 11 ASN HD22 H 1 6.939 0.000 . . . . . . 11 ASN HD22 . 15002 1 102 . 1 1 11 11 ASN C C 13 174.216 0.000 . . . . . . 11 ASN C . 15002 1 103 . 1 1 11 11 ASN CA C 13 54.086 0.092 . . . . . . 11 ASN CA . 15002 1 104 . 1 1 11 11 ASN CB C 13 37.737 0.068 . . . . . . 11 ASN CB . 15002 1 105 . 1 1 11 11 ASN N N 15 118.105 0.053 . . . . . . 11 ASN N . 15002 1 106 . 1 1 11 11 ASN ND2 N 15 114.329 0.008 . . . . . . 11 ASN ND2 . 15002 1 107 . 1 1 12 12 CYS H H 1 7.550 0.002 . . . . . . 12 CYS HN . 15002 1 108 . 1 1 12 12 CYS HA H 1 4.381 0.006 . . . . . . 12 CYS HA . 15002 1 109 . 1 1 12 12 CYS HB2 H 1 3.601 0.003 . . . . . . 12 CYS HB2 . 15002 1 110 . 1 1 12 12 CYS HB3 H 1 3.142 0.002 . . . . . . 12 CYS HB3 . 15002 1 111 . 1 1 12 12 CYS C C 13 178.495 0.000 . . . . . . 12 CYS C . 15002 1 112 . 1 1 12 12 CYS CA C 13 61.844 0.059 . . . . . . 12 CYS CA . 15002 1 113 . 1 1 12 12 CYS CB C 13 30.198 0.125 . . . . . . 12 CYS CB . 15002 1 114 . 1 1 12 12 CYS N N 15 119.466 0.071 . . . . . . 12 CYS N . 15002 1 115 . 1 1 13 13 LYS H H 1 8.929 0.003 . . . . . . 13 LYS HN . 15002 1 116 . 1 1 13 13 LYS HA H 1 4.297 0.004 . . . . . . 13 LYS HA . 15002 1 117 . 1 1 13 13 LYS HB2 H 1 1.492 0.004 . . . . . . 13 LYS HB2 . 15002 1 118 . 1 1 13 13 LYS HB3 H 1 1.374 0.004 . . . . . . 13 LYS HB3 . 15002 1 119 . 1 1 13 13 LYS HG2 H 1 1.095 0.002 . . . . . . 13 LYS HG2 . 15002 1 120 . 1 1 13 13 LYS HG3 H 1 0.734 0.004 . . . . . . 13 LYS HG3 . 15002 1 121 . 1 1 13 13 LYS HD2 H 1 1.435 0.002 . . . . . . 13 LYS QD . 15002 1 122 . 1 1 13 13 LYS HD3 H 1 1.435 0.002 . . . . . . 13 LYS QD . 15002 1 123 . 1 1 13 13 LYS HE2 H 1 2.781 0.002 . . . . . . 13 LYS QE . 15002 1 124 . 1 1 13 13 LYS HE3 H 1 2.781 0.002 . . . . . . 13 LYS QE . 15002 1 125 . 1 1 13 13 LYS C C 13 177.003 0.000 . . . . . . 13 LYS C . 15002 1 126 . 1 1 13 13 LYS CA C 13 57.329 0.017 . . . . . . 13 LYS CA . 15002 1 127 . 1 1 13 13 LYS CB C 13 31.976 0.092 . . . . . . 13 LYS CB . 15002 1 128 . 1 1 13 13 LYS CG C 13 23.421 0.064 . . . . . . 13 LYS CG . 15002 1 129 . 1 1 13 13 LYS CD C 13 29.205 0.115 . . . . . . 13 LYS CD . 15002 1 130 . 1 1 13 13 LYS CE C 13 41.479 0.111 . . . . . . 13 LYS CE . 15002 1 131 . 1 1 13 13 LYS N N 15 130.461 0.026 . . . . . . 13 LYS N . 15002 1 132 . 1 1 14 14 PHE H H 1 8.950 0.003 . . . . . . 14 PHE HN . 15002 1 133 . 1 1 14 14 PHE HA H 1 4.336 0.005 . . . . . . 14 PHE HA . 15002 1 134 . 1 1 14 14 PHE HB2 H 1 3.179 0.006 . . . . . . 14 PHE HB2 . 15002 1 135 . 1 1 14 14 PHE HB3 H 1 2.696 0.009 . . . . . . 14 PHE HB3 . 15002 1 136 . 1 1 14 14 PHE HD1 H 1 7.094 0.002 . . . . . . 14 PHE QD . 15002 1 137 . 1 1 14 14 PHE HD2 H 1 7.094 0.002 . . . . . . 14 PHE QD . 15002 1 138 . 1 1 14 14 PHE HE1 H 1 7.259 0.004 . . . . . . 14 PHE QE . 15002 1 139 . 1 1 14 14 PHE HE2 H 1 7.259 0.004 . . . . . . 14 PHE QE . 15002 1 140 . 1 1 14 14 PHE HZ H 1 7.136 0.004 . . . . . . 14 PHE HZ . 15002 1 141 . 1 1 14 14 PHE C C 13 175.748 0.000 . . . . . . 14 PHE C . 15002 1 142 . 1 1 14 14 PHE CA C 13 59.794 0.115 . . . . . . 14 PHE CA . 15002 1 143 . 1 1 14 14 PHE CB C 13 39.169 0.156 . . . . . . 14 PHE CB . 15002 1 144 . 1 1 14 14 PHE CD1 C 13 131.995 0.051 . . . . . . 14 PHE CD1 . 15002 1 145 . 1 1 14 14 PHE CD2 C 13 131.995 0.051 . . . . . . 14 PHE CD2 . 15002 1 146 . 1 1 14 14 PHE CE1 C 13 131.842 0.050 . . . . . . 14 PHE CE1 . 15002 1 147 . 1 1 14 14 PHE CE2 C 13 131.842 0.050 . . . . . . 14 PHE CE2 . 15002 1 148 . 1 1 14 14 PHE CZ C 13 129.748 0.000 . . . . . . 14 PHE CZ . 15002 1 149 . 1 1 14 14 PHE N N 15 122.925 0.024 . . . . . . 14 PHE N . 15002 1 150 . 1 1 15 15 ARG H H 1 7.816 0.001 . . . . . . 15 ARG HN . 15002 1 151 . 1 1 15 15 ARG HA H 1 4.353 0.003 . . . . . . 15 ARG HA . 15002 1 152 . 1 1 15 15 ARG HB2 H 1 2.116 0.005 . . . . . . 15 ARG HB2 . 15002 1 153 . 1 1 15 15 ARG HB3 H 1 2.009 0.003 . . . . . . 15 ARG HB3 . 15002 1 154 . 1 1 15 15 ARG HG2 H 1 1.870 0.005 . . . . . . 15 ARG QG . 15002 1 155 . 1 1 15 15 ARG HG3 H 1 1.870 0.005 . . . . . . 15 ARG QG . 15002 1 156 . 1 1 15 15 ARG HD2 H 1 3.383 0.003 . . . . . . 15 ARG QD . 15002 1 157 . 1 1 15 15 ARG HD3 H 1 3.383 0.003 . . . . . . 15 ARG QD . 15002 1 158 . 1 1 15 15 ARG C C 13 177.755 0.000 . . . . . . 15 ARG C . 15002 1 159 . 1 1 15 15 ARG CA C 13 58.699 0.073 . . . . . . 15 ARG CA . 15002 1 160 . 1 1 15 15 ARG CB C 13 30.427 0.020 . . . . . . 15 ARG CB . 15002 1 161 . 1 1 15 15 ARG CG C 13 27.193 0.010 . . . . . . 15 ARG CG . 15002 1 162 . 1 1 15 15 ARG CD C 13 43.482 0.118 . . . . . . 15 ARG CD . 15002 1 163 . 1 1 15 15 ARG N N 15 120.967 0.018 . . . . . . 15 ARG N . 15002 1 164 . 1 1 16 16 SER H H 1 8.311 0.003 . . . . . . 16 SER HN . 15002 1 165 . 1 1 16 16 SER HA H 1 4.412 0.002 . . . . . . 16 SER HA . 15002 1 166 . 1 1 16 16 SER HB2 H 1 3.925 0.004 . . . . . . 16 SER QB . 15002 1 167 . 1 1 16 16 SER HB3 H 1 3.925 0.004 . . . . . . 16 SER QB . 15002 1 168 . 1 1 16 16 SER C C 13 175.264 0.000 . . . . . . 16 SER C . 15002 1 169 . 1 1 16 16 SER CA C 13 59.477 0.124 . . . . . . 16 SER CA . 15002 1 170 . 1 1 16 16 SER CB C 13 63.236 0.066 . . . . . . 16 SER CB . 15002 1 171 . 1 1 16 16 SER N N 15 113.911 0.027 . . . . . . 16 SER N . 15002 1 172 . 1 1 17 17 ARG H H 1 7.839 0.004 . . . . . . 17 ARG HN . 15002 1 173 . 1 1 17 17 ARG HA H 1 4.192 0.002 . . . . . . 17 ARG HA . 15002 1 174 . 1 1 17 17 ARG HB2 H 1 1.666 0.007 . . . . . . 17 ARG QB . 15002 1 175 . 1 1 17 17 ARG HB3 H 1 1.666 0.007 . . . . . . 17 ARG QB . 15002 1 176 . 1 1 17 17 ARG HG2 H 1 1.455 0.003 . . . . . . 17 ARG QG . 15002 1 177 . 1 1 17 17 ARG HG3 H 1 1.455 0.003 . . . . . . 17 ARG QG . 15002 1 178 . 1 1 17 17 ARG HD2 H 1 3.074 0.004 . . . . . . 17 ARG QD . 15002 1 179 . 1 1 17 17 ARG HD3 H 1 3.074 0.004 . . . . . . 17 ARG QD . 15002 1 180 . 1 1 17 17 ARG C C 13 176.144 0.000 . . . . . . 17 ARG C . 15002 1 181 . 1 1 17 17 ARG CA C 13 57.012 0.096 . . . . . . 17 ARG CA . 15002 1 182 . 1 1 17 17 ARG CB C 13 30.413 0.142 . . . . . . 17 ARG CB . 15002 1 183 . 1 1 17 17 ARG CG C 13 26.818 0.048 . . . . . . 17 ARG CG . 15002 1 184 . 1 1 17 17 ARG CD C 13 43.572 0.087 . . . . . . 17 ARG CD . 15002 1 185 . 1 1 17 17 ARG N N 15 121.558 0.037 . . . . . . 17 ARG N . 15002 1 186 . 1 1 18 18 TYR H H 1 7.883 0.002 . . . . . . 18 TYR HN . 15002 1 187 . 1 1 18 18 TYR HA H 1 4.594 0.006 . . . . . . 18 TYR HA . 15002 1 188 . 1 1 18 18 TYR HB2 H 1 3.168 0.006 . . . . . . 18 TYR HB2 . 15002 1 189 . 1 1 18 18 TYR HB3 H 1 2.803 0.007 . . . . . . 18 TYR HB3 . 15002 1 190 . 1 1 18 18 TYR HD1 H 1 7.155 0.001 . . . . . . 18 TYR QD . 15002 1 191 . 1 1 18 18 TYR HD2 H 1 7.155 0.001 . . . . . . 18 TYR QD . 15002 1 192 . 1 1 18 18 TYR HE1 H 1 6.789 0.002 . . . . . . 18 TYR QE . 15002 1 193 . 1 1 18 18 TYR HE2 H 1 6.789 0.002 . . . . . . 18 TYR QE . 15002 1 194 . 1 1 18 18 TYR C C 13 175.321 0.000 . . . . . . 18 TYR C . 15002 1 195 . 1 1 18 18 TYR CA C 13 57.855 0.021 . . . . . . 18 TYR CA . 15002 1 196 . 1 1 18 18 TYR CB C 13 38.794 0.035 . . . . . . 18 TYR CB . 15002 1 197 . 1 1 18 18 TYR CD1 C 13 133.541 0.034 . . . . . . 18 TYR CD1 . 15002 1 198 . 1 1 18 18 TYR CD2 C 13 133.541 0.034 . . . . . . 18 TYR CD2 . 15002 1 199 . 1 1 18 18 TYR CE1 C 13 118.036 0.041 . . . . . . 18 TYR CE1 . 15002 1 200 . 1 1 18 18 TYR CE2 C 13 118.036 0.041 . . . . . . 18 TYR CE2 . 15002 1 201 . 1 1 18 18 TYR N N 15 118.429 0.038 . . . . . . 18 TYR N . 15002 1 202 . 1 1 19 19 ARG H H 1 8.038 0.006 . . . . . . 19 ARG HN . 15002 1 203 . 1 1 19 19 ARG HA H 1 4.300 0.003 . . . . . . 19 ARG HA . 15002 1 204 . 1 1 19 19 ARG HB2 H 1 1.880 0.006 . . . . . . 19 ARG HB2 . 15002 1 205 . 1 1 19 19 ARG HB3 H 1 1.799 0.003 . . . . . . 19 ARG HB3 . 15002 1 206 . 1 1 19 19 ARG HG2 H 1 1.648 0.003 . . . . . . 19 ARG HG2 . 15002 1 207 . 1 1 19 19 ARG HG3 H 1 1.602 0.005 . . . . . . 19 ARG HG3 . 15002 1 208 . 1 1 19 19 ARG HD2 H 1 3.226 0.007 . . . . . . 19 ARG QD . 15002 1 209 . 1 1 19 19 ARG HD3 H 1 3.226 0.007 . . . . . . 19 ARG QD . 15002 1 210 . 1 1 19 19 ARG C C 13 176.855 0.000 . . . . . . 19 ARG C . 15002 1 211 . 1 1 19 19 ARG CA C 13 56.983 0.081 . . . . . . 19 ARG CA . 15002 1 212 . 1 1 19 19 ARG CB C 13 30.176 0.109 . . . . . . 19 ARG CB . 15002 1 213 . 1 1 19 19 ARG CG C 13 26.945 0.087 . . . . . . 19 ARG CG . 15002 1 214 . 1 1 19 19 ARG CD C 13 43.277 0.069 . . . . . . 19 ARG CD . 15002 1 215 . 1 1 19 19 ARG N N 15 122.532 0.024 . . . . . . 19 ARG N . 15002 1 216 . 1 1 20 20 GLY H H 1 8.472 0.007 . . . . . . 20 GLY HN . 15002 1 217 . 1 1 20 20 GLY HA2 H 1 4.060 0.005 . . . . . . 20 GLY HA1 . 15002 1 218 . 1 1 20 20 GLY HA3 H 1 3.856 0.005 . . . . . . 20 GLY HA2 . 15002 1 219 . 1 1 20 20 GLY C C 13 173.888 0.000 . . . . . . 20 GLY C . 15002 1 220 . 1 1 20 20 GLY CA C 13 45.514 0.124 . . . . . . 20 GLY CA . 15002 1 221 . 1 1 20 20 GLY N N 15 111.668 0.017 . . . . . . 20 GLY N . 15002 1 222 . 1 1 21 21 LEU H H 1 8.073 0.003 . . . . . . 21 LEU HN . 15002 1 223 . 1 1 21 21 LEU HA H 1 4.499 0.005 . . . . . . 21 LEU HA . 15002 1 224 . 1 1 21 21 LEU HB2 H 1 1.658 0.006 . . . . . . 21 LEU QB . 15002 1 225 . 1 1 21 21 LEU HB3 H 1 1.658 0.006 . . . . . . 21 LEU QB . 15002 1 226 . 1 1 21 21 LEU HG H 1 1.616 0.013 . . . . . . 21 LEU HG . 15002 1 227 . 1 1 21 21 LEU HD11 H 1 0.895 0.004 . . . . . . 21 LEU QQD . 15002 1 228 . 1 1 21 21 LEU HD12 H 1 0.895 0.004 . . . . . . 21 LEU QQD . 15002 1 229 . 1 1 21 21 LEU HD13 H 1 0.895 0.004 . . . . . . 21 LEU QQD . 15002 1 230 . 1 1 21 21 LEU HD21 H 1 0.895 0.004 . . . . . . 21 LEU QQD . 15002 1 231 . 1 1 21 21 LEU HD22 H 1 0.895 0.004 . . . . . . 21 LEU QQD . 15002 1 232 . 1 1 21 21 LEU HD23 H 1 0.895 0.004 . . . . . . 21 LEU QQD . 15002 1 233 . 1 1 21 21 LEU C C 13 176.993 0.000 . . . . . . 21 LEU C . 15002 1 234 . 1 1 21 21 LEU CA C 13 54.776 0.006 . . . . . . 21 LEU CA . 15002 1 235 . 1 1 21 21 LEU CB C 13 43.236 0.062 . . . . . . 21 LEU CB . 15002 1 236 . 1 1 21 21 LEU CG C 13 26.862 0.027 . . . . . . 21 LEU CG . 15002 1 237 . 1 1 21 21 LEU CD1 C 13 25.240 0.034 . . . . . . 21 LEU CD1 . 15002 1 238 . 1 1 21 21 LEU CD2 C 13 23.321 0.041 . . . . . . 21 LEU CD2 . 15002 1 239 . 1 1 21 21 LEU N N 15 121.882 0.034 . . . . . . 21 LEU N . 15002 1 240 . 1 1 22 22 GLU H H 1 8.349 0.003 . . . . . . 22 GLU HN . 15002 1 241 . 1 1 22 22 GLU HA H 1 4.240 0.006 . . . . . . 22 GLU HA . 15002 1 242 . 1 1 22 22 GLU HB2 H 1 2.034 0.005 . . . . . . 22 GLU HB2 . 15002 1 243 . 1 1 22 22 GLU HB3 H 1 1.989 0.006 . . . . . . 22 GLU HB3 . 15002 1 244 . 1 1 22 22 GLU HG2 H 1 2.241 0.002 . . . . . . 22 GLU QG . 15002 1 245 . 1 1 22 22 GLU HG3 H 1 2.241 0.002 . . . . . . 22 GLU QG . 15002 1 246 . 1 1 22 22 GLU C C 13 175.662 0.000 . . . . . . 22 GLU C . 15002 1 247 . 1 1 22 22 GLU CA C 13 56.787 0.127 . . . . . . 22 GLU CA . 15002 1 248 . 1 1 22 22 GLU CB C 13 29.986 0.018 . . . . . . 22 GLU CB . 15002 1 249 . 1 1 22 22 GLU CG C 13 36.425 0.064 . . . . . . 22 GLU CG . 15002 1 250 . 1 1 22 22 GLU N N 15 120.088 0.022 . . . . . . 22 GLU N . 15002 1 251 . 1 1 23 23 ASP H H 1 8.298 0.005 . . . . . . 23 ASP HN . 15002 1 252 . 1 1 23 23 ASP HA H 1 4.461 0.006 . . . . . . 23 ASP HA . 15002 1 253 . 1 1 23 23 ASP HB2 H 1 2.935 0.004 . . . . . . 23 ASP HB2 . 15002 1 254 . 1 1 23 23 ASP HB3 H 1 2.542 0.009 . . . . . . 23 ASP HB3 . 15002 1 255 . 1 1 23 23 ASP C C 13 175.864 0.000 . . . . . . 23 ASP C . 15002 1 256 . 1 1 23 23 ASP CA C 13 53.792 0.149 . . . . . . 23 ASP CA . 15002 1 257 . 1 1 23 23 ASP CB C 13 41.153 0.090 . . . . . . 23 ASP CB . 15002 1 258 . 1 1 23 23 ASP N N 15 122.800 0.016 . . . . . . 23 ASP N . 15002 1 259 . 1 1 24 24 ASN H H 1 8.124 0.003 . . . . . . 24 ASN HN . 15002 1 260 . 1 1 24 24 ASN HA H 1 4.771 0.004 . . . . . . 24 ASN HA . 15002 1 261 . 1 1 24 24 ASN HB2 H 1 2.810 0.007 . . . . . . 24 ASN QB . 15002 1 262 . 1 1 24 24 ASN HB3 H 1 2.810 0.007 . . . . . . 24 ASN QB . 15002 1 263 . 1 1 24 24 ASN HD21 H 1 7.533 0.003 . . . . . . 24 ASN HD21 . 15002 1 264 . 1 1 24 24 ASN HD22 H 1 6.915 0.000 . . . . . . 24 ASN HD22 . 15002 1 265 . 1 1 24 24 ASN C C 13 175.659 0.000 . . . . . . 24 ASN C . 15002 1 266 . 1 1 24 24 ASN CA C 13 52.556 0.054 . . . . . . 24 ASN CA . 15002 1 267 . 1 1 24 24 ASN CB C 13 38.367 0.094 . . . . . . 24 ASN CB . 15002 1 268 . 1 1 24 24 ASN N N 15 122.854 0.042 . . . . . . 24 ASN N . 15002 1 269 . 1 1 24 24 ASN ND2 N 15 112.296 0.035 . . . . . . 24 ASN ND2 . 15002 1 270 . 1 1 25 25 ARG H H 1 7.759 0.003 . . . . . . 25 ARG HN . 15002 1 271 . 1 1 25 25 ARG HA H 1 3.787 0.003 . . . . . . 25 ARG HA . 15002 1 272 . 1 1 25 25 ARG HB2 H 1 1.563 0.007 . . . . . . 25 ARG HB2 . 15002 1 273 . 1 1 25 25 ARG HB3 H 1 1.275 0.003 . . . . . . 25 ARG HB3 . 15002 1 274 . 1 1 25 25 ARG HG2 H 1 1.468 0.003 . . . . . . 25 ARG HG2 . 15002 1 275 . 1 1 25 25 ARG HG3 H 1 1.325 0.001 . . . . . . 25 ARG HG3 . 15002 1 276 . 1 1 25 25 ARG HD2 H 1 3.128 0.002 . . . . . . 25 ARG HD2 . 15002 1 277 . 1 1 25 25 ARG HD3 H 1 2.984 0.002 . . . . . . 25 ARG HD3 . 15002 1 278 . 1 1 25 25 ARG C C 13 175.850 0.000 . . . . . . 25 ARG C . 15002 1 279 . 1 1 25 25 ARG CA C 13 57.019 0.134 . . . . . . 25 ARG CA . 15002 1 280 . 1 1 25 25 ARG CB C 13 31.076 0.098 . . . . . . 25 ARG CB . 15002 1 281 . 1 1 25 25 ARG CG C 13 26.373 0.099 . . . . . . 25 ARG CG . 15002 1 282 . 1 1 25 25 ARG CD C 13 43.978 0.020 . . . . . . 25 ARG CD . 15002 1 283 . 1 1 25 25 ARG N N 15 119.721 0.055 . . . . . . 25 ARG N . 15002 1 284 . 1 1 26 26 HIS H H 1 8.080 0.004 . . . . . . 26 HIS HN . 15002 1 285 . 1 1 26 26 HIS HA H 1 4.709 0.005 . . . . . . 26 HIS HA . 15002 1 286 . 1 1 26 26 HIS HB2 H 1 2.892 0.002 . . . . . . 26 HIS HB2 . 15002 1 287 . 1 1 26 26 HIS HB3 H 1 2.626 0.003 . . . . . . 26 HIS HB3 . 15002 1 288 . 1 1 26 26 HIS HD2 H 1 6.879 0.000 . . . . . . 26 HIS HD2 . 15002 1 289 . 1 1 26 26 HIS HE1 H 1 8.260 0.000 . . . . . . 26 HIS HE1 . 15002 1 290 . 1 1 26 26 HIS C C 13 172.761 0.000 . . . . . . 26 HIS C . 15002 1 291 . 1 1 26 26 HIS CA C 13 53.936 0.122 . . . . . . 26 HIS CA . 15002 1 292 . 1 1 26 26 HIS CB C 13 30.941 0.128 . . . . . . 26 HIS CB . 15002 1 293 . 1 1 26 26 HIS CD2 C 13 119.908 0.000 . . . . . . 26 HIS CD2 . 15002 1 294 . 1 1 26 26 HIS CE1 C 13 137.680 0.000 . . . . . . 26 HIS CE1 . 15002 1 295 . 1 1 26 26 HIS N N 15 117.888 0.058 . . . . . . 26 HIS N . 15002 1 296 . 1 1 27 27 PHE H H 1 8.384 0.009 . . . . . . 27 PHE HN . 15002 1 297 . 1 1 27 27 PHE HA H 1 4.648 0.007 . . . . . . 27 PHE HA . 15002 1 298 . 1 1 27 27 PHE HB2 H 1 2.833 0.003 . . . . . . 27 PHE HB2 . 15002 1 299 . 1 1 27 27 PHE HB3 H 1 2.571 0.006 . . . . . . 27 PHE HB3 . 15002 1 300 . 1 1 27 27 PHE HD1 H 1 6.876 0.004 . . . . . . 27 PHE QD . 15002 1 301 . 1 1 27 27 PHE HD2 H 1 6.876 0.004 . . . . . . 27 PHE QD . 15002 1 302 . 1 1 27 27 PHE HE1 H 1 7.081 0.004 . . . . . . 27 PHE QE . 15002 1 303 . 1 1 27 27 PHE HE2 H 1 7.081 0.004 . . . . . . 27 PHE QE . 15002 1 304 . 1 1 27 27 PHE HZ H 1 7.168 0.004 . . . . . . 27 PHE HZ . 15002 1 305 . 1 1 27 27 PHE C C 13 174.991 0.000 . . . . . . 27 PHE C . 15002 1 306 . 1 1 27 27 PHE CA C 13 57.577 0.172 . . . . . . 27 PHE CA . 15002 1 307 . 1 1 27 27 PHE CB C 13 41.875 0.036 . . . . . . 27 PHE CB . 15002 1 308 . 1 1 27 27 PHE CD1 C 13 131.144 0.005 . . . . . . 27 PHE CD1 . 15002 1 309 . 1 1 27 27 PHE CD2 C 13 131.144 0.005 . . . . . . 27 PHE CD2 . 15002 1 310 . 1 1 27 27 PHE CE1 C 13 131.337 0.002 . . . . . . 27 PHE CE1 . 15002 1 311 . 1 1 27 27 PHE CE2 C 13 131.337 0.002 . . . . . . 27 PHE CE2 . 15002 1 312 . 1 1 27 27 PHE CZ C 13 129.475 0.000 . . . . . . 27 PHE CZ . 15002 1 313 . 1 1 27 27 PHE N N 15 117.896 0.014 . . . . . . 27 PHE N . 15002 1 314 . 1 1 28 28 TYR H H 1 9.321 0.004 . . . . . . 28 TYR HN . 15002 1 315 . 1 1 28 28 TYR HA H 1 5.082 0.002 . . . . . . 28 TYR HA . 15002 1 316 . 1 1 28 28 TYR HB2 H 1 3.488 0.003 . . . . . . 28 TYR HB2 . 15002 1 317 . 1 1 28 28 TYR HB3 H 1 3.041 0.005 . . . . . . 28 TYR HB3 . 15002 1 318 . 1 1 28 28 TYR HD1 H 1 7.216 0.001 . . . . . . 28 TYR QD . 15002 1 319 . 1 1 28 28 TYR HD2 H 1 7.216 0.001 . . . . . . 28 TYR QD . 15002 1 320 . 1 1 28 28 TYR HE1 H 1 6.483 0.003 . . . . . . 28 TYR QE . 15002 1 321 . 1 1 28 28 TYR HE2 H 1 6.483 0.003 . . . . . . 28 TYR QE . 15002 1 322 . 1 1 28 28 TYR C C 13 176.554 0.000 . . . . . . 28 TYR C . 15002 1 323 . 1 1 28 28 TYR CA C 13 57.081 0.111 . . . . . . 28 TYR CA . 15002 1 324 . 1 1 28 28 TYR CB C 13 41.097 0.066 . . . . . . 28 TYR CB . 15002 1 325 . 1 1 28 28 TYR CD1 C 13 133.261 0.041 . . . . . . 28 TYR CD1 . 15002 1 326 . 1 1 28 28 TYR CD2 C 13 133.261 0.041 . . . . . . 28 TYR CD2 . 15002 1 327 . 1 1 28 28 TYR CE1 C 13 118.264 0.004 . . . . . . 28 TYR CE1 . 15002 1 328 . 1 1 28 28 TYR CE2 C 13 118.264 0.004 . . . . . . 28 TYR CE2 . 15002 1 329 . 1 1 28 28 TYR N N 15 122.954 0.027 . . . . . . 28 TYR N . 15002 1 330 . 1 1 29 29 ARG H H 1 8.813 0.004 . . . . . . 29 ARG HN . 15002 1 331 . 1 1 29 29 ARG HA H 1 4.561 0.005 . . . . . . 29 ARG HA . 15002 1 332 . 1 1 29 29 ARG HB2 H 1 1.901 0.011 . . . . . . 29 ARG HB2 . 15002 1 333 . 1 1 29 29 ARG HB3 H 1 1.628 0.008 . . . . . . 29 ARG HB3 . 15002 1 334 . 1 1 29 29 ARG HG2 H 1 1.765 0.003 . . . . . . 29 ARG HG2 . 15002 1 335 . 1 1 29 29 ARG HG3 H 1 1.630 0.005 . . . . . . 29 ARG HG3 . 15002 1 336 . 1 1 29 29 ARG HD2 H 1 3.226 0.006 . . . . . . 29 ARG QD . 15002 1 337 . 1 1 29 29 ARG HD3 H 1 3.226 0.006 . . . . . . 29 ARG QD . 15002 1 338 . 1 1 29 29 ARG C C 13 175.418 0.000 . . . . . . 29 ARG C . 15002 1 339 . 1 1 29 29 ARG CA C 13 55.566 0.089 . . . . . . 29 ARG CA . 15002 1 340 . 1 1 29 29 ARG CB C 13 31.394 0.085 . . . . . . 29 ARG CB . 15002 1 341 . 1 1 29 29 ARG CG C 13 28.014 0.033 . . . . . . 29 ARG CG . 15002 1 342 . 1 1 29 29 ARG CD C 13 43.426 0.061 . . . . . . 29 ARG CD . 15002 1 343 . 1 1 29 29 ARG N N 15 121.278 0.022 . . . . . . 29 ARG N . 15002 1 344 . 1 1 30 30 ILE H H 1 8.701 0.003 . . . . . . 30 ILE HN . 15002 1 345 . 1 1 30 30 ILE HA H 1 3.842 0.004 . . . . . . 30 ILE HA . 15002 1 346 . 1 1 30 30 ILE HB H 1 1.813 0.004 . . . . . . 30 ILE HB . 15002 1 347 . 1 1 30 30 ILE HG12 H 1 1.657 0.002 . . . . . . 30 ILE HG12 . 15002 1 348 . 1 1 30 30 ILE HG13 H 1 1.507 0.005 . . . . . . 30 ILE HG13 . 15002 1 349 . 1 1 30 30 ILE HG21 H 1 0.937 0.009 . . . . . . 30 ILE QG2 . 15002 1 350 . 1 1 30 30 ILE HG22 H 1 0.937 0.009 . . . . . . 30 ILE QG2 . 15002 1 351 . 1 1 30 30 ILE HG23 H 1 0.937 0.009 . . . . . . 30 ILE QG2 . 15002 1 352 . 1 1 30 30 ILE HD11 H 1 1.009 0.005 . . . . . . 30 ILE QD1 . 15002 1 353 . 1 1 30 30 ILE HD12 H 1 1.009 0.005 . . . . . . 30 ILE QD1 . 15002 1 354 . 1 1 30 30 ILE HD13 H 1 1.009 0.005 . . . . . . 30 ILE QD1 . 15002 1 355 . 1 1 30 30 ILE C C 13 174.616 0.000 . . . . . . 30 ILE C . 15002 1 356 . 1 1 30 30 ILE CA C 13 58.562 0.047 . . . . . . 30 ILE CA . 15002 1 357 . 1 1 30 30 ILE CB C 13 37.202 0.042 . . . . . . 30 ILE CB . 15002 1 358 . 1 1 30 30 ILE CG1 C 13 28.521 0.059 . . . . . . 30 ILE CG1 . 15002 1 359 . 1 1 30 30 ILE CG2 C 13 17.089 0.049 . . . . . . 30 ILE CG2 . 15002 1 360 . 1 1 30 30 ILE CD1 C 13 13.186 0.080 . . . . . . 30 ILE CD1 . 15002 1 361 . 1 1 30 30 ILE N N 15 120.766 0.047 . . . . . . 30 ILE N . 15002 1 362 . 1 1 31 31 PRO HA H 1 4.048 0.006 . . . . . . 31 PRO HA . 15002 1 363 . 1 1 31 31 PRO HB2 H 1 2.019 0.012 . . . . . . 31 PRO HB2 . 15002 1 364 . 1 1 31 31 PRO HB3 H 1 1.186 0.008 . . . . . . 31 PRO HB3 . 15002 1 365 . 1 1 31 31 PRO HG2 H 1 0.985 0.007 . . . . . . 31 PRO HG2 . 15002 1 366 . 1 1 31 31 PRO HG3 H 1 0.718 0.005 . . . . . . 31 PRO HG3 . 15002 1 367 . 1 1 31 31 PRO HD2 H 1 2.034 0.019 . . . . . . 31 PRO HD2 . 15002 1 368 . 1 1 31 31 PRO HD3 H 1 1.843 0.008 . . . . . . 31 PRO HD3 . 15002 1 369 . 1 1 31 31 PRO C C 13 176.576 0.000 . . . . . . 31 PRO C . 15002 1 370 . 1 1 31 31 PRO CA C 13 63.084 0.065 . . . . . . 31 PRO CA . 15002 1 371 . 1 1 31 31 PRO CB C 13 32.082 0.074 . . . . . . 31 PRO CB . 15002 1 372 . 1 1 31 31 PRO CG C 13 26.970 0.018 . . . . . . 31 PRO CG . 15002 1 373 . 1 1 31 31 PRO CD C 13 49.782 0.077 . . . . . . 31 PRO CD . 15002 1 374 . 1 1 31 31 PRO N N 15 109.672 0.023 . . . . . . 31 PRO N . 15002 1 375 . 1 1 32 32 LYS H H 1 8.648 0.003 . . . . . . 32 LYS HN . 15002 1 376 . 1 1 32 32 LYS HA H 1 4.119 0.006 . . . . . . 32 LYS HA . 15002 1 377 . 1 1 32 32 LYS HB2 H 1 1.760 0.000 . . . . . . 32 LYS QB . 15002 1 378 . 1 1 32 32 LYS HB3 H 1 1.760 0.000 . . . . . . 32 LYS QB . 15002 1 379 . 1 1 32 32 LYS C C 13 175.902 0.000 . . . . . . 32 LYS C . 15002 1 380 . 1 1 32 32 LYS CA C 13 57.840 0.076 . . . . . . 32 LYS CA . 15002 1 381 . 1 1 32 32 LYS CB C 13 33.815 0.052 . . . . . . 32 LYS CB . 15002 1 382 . 1 1 32 32 LYS CG C 13 25.473 0.000 . . . . . . 32 LYS CG . 15002 1 383 . 1 1 32 32 LYS CD C 13 29.170 0.000 . . . . . . 32 LYS CD . 15002 1 384 . 1 1 32 32 LYS CE C 13 41.920 0.000 . . . . . . 32 LYS CE . 15002 1 385 . 1 1 32 32 LYS N N 15 120.962 0.051 . . . . . . 32 LYS N . 15002 1 386 . 1 1 33 33 ARG H H 1 7.477 0.003 . . . . . . 33 ARG HN . 15002 1 387 . 1 1 33 33 ARG HA H 1 4.203 0.004 . . . . . . 33 ARG HA . 15002 1 388 . 1 1 33 33 ARG HB2 H 1 1.825 0.003 . . . . . . 33 ARG HB2 . 15002 1 389 . 1 1 33 33 ARG HB3 H 1 1.659 0.001 . . . . . . 33 ARG HB3 . 15002 1 390 . 1 1 33 33 ARG HG2 H 1 1.464 0.004 . . . . . . 33 ARG QG . 15002 1 391 . 1 1 33 33 ARG HG3 H 1 1.464 0.004 . . . . . . 33 ARG QG . 15002 1 392 . 1 1 33 33 ARG HD2 H 1 3.176 0.005 . . . . . . 33 ARG QD . 15002 1 393 . 1 1 33 33 ARG HD3 H 1 3.176 0.005 . . . . . . 33 ARG QD . 15002 1 394 . 1 1 33 33 ARG C C 13 172.870 0.000 . . . . . . 33 ARG C . 15002 1 395 . 1 1 33 33 ARG CA C 13 52.938 0.173 . . . . . . 33 ARG CA . 15002 1 396 . 1 1 33 33 ARG CB C 13 32.081 0.066 . . . . . . 33 ARG CB . 15002 1 397 . 1 1 33 33 ARG CG C 13 26.325 0.039 . . . . . . 33 ARG CG . 15002 1 398 . 1 1 33 33 ARG CD C 13 43.029 0.107 . . . . . . 33 ARG CD . 15002 1 399 . 1 1 33 33 ARG N N 15 113.697 0.083 . . . . . . 33 ARG N . 15002 1 400 . 1 1 34 34 PRO HA H 1 4.716 0.008 . . . . . . 34 PRO HA . 15002 1 401 . 1 1 34 34 PRO HB2 H 1 2.660 0.006 . . . . . . 34 PRO HB2 . 15002 1 402 . 1 1 34 34 PRO HB3 H 1 2.215 0.006 . . . . . . 34 PRO HB3 . 15002 1 403 . 1 1 34 34 PRO HG2 H 1 2.086 0.005 . . . . . . 34 PRO HG2 . 15002 1 404 . 1 1 34 34 PRO HG3 H 1 1.764 0.004 . . . . . . 34 PRO HG3 . 15002 1 405 . 1 1 34 34 PRO HD2 H 1 3.650 0.005 . . . . . . 34 PRO HD2 . 15002 1 406 . 1 1 34 34 PRO HD3 H 1 3.535 0.004 . . . . . . 34 PRO HD3 . 15002 1 407 . 1 1 34 34 PRO C C 13 177.170 0.000 . . . . . . 34 PRO C . 15002 1 408 . 1 1 34 34 PRO CA C 13 62.048 0.049 . . . . . . 34 PRO CA . 15002 1 409 . 1 1 34 34 PRO CB C 13 34.746 0.068 . . . . . . 34 PRO CB . 15002 1 410 . 1 1 34 34 PRO CG C 13 25.483 0.010 . . . . . . 34 PRO CG . 15002 1 411 . 1 1 34 34 PRO CD C 13 50.158 0.054 . . . . . . 34 PRO CD . 15002 1 412 . 1 1 34 34 PRO N N 15 131.135 0.005 . . . . . . 34 PRO N . 15002 1 413 . 1 1 35 35 LEU H H 1 9.093 0.003 . . . . . . 35 LEU HN . 15002 1 414 . 1 1 35 35 LEU HA H 1 4.045 0.003 . . . . . . 35 LEU HA . 15002 1 415 . 1 1 35 35 LEU HB2 H 1 1.744 0.003 . . . . . . 35 LEU QB . 15002 1 416 . 1 1 35 35 LEU HB3 H 1 1.744 0.003 . . . . . . 35 LEU QB . 15002 1 417 . 1 1 35 35 LEU HG H 1 1.659 0.004 . . . . . . 35 LEU HG . 15002 1 418 . 1 1 35 35 LEU HD11 H 1 1.001 0.002 . . . . . . 35 LEU QD1 . 15002 1 419 . 1 1 35 35 LEU HD12 H 1 1.001 0.002 . . . . . . 35 LEU QD1 . 15002 1 420 . 1 1 35 35 LEU HD13 H 1 1.001 0.002 . . . . . . 35 LEU QD1 . 15002 1 421 . 1 1 35 35 LEU HD21 H 1 0.948 0.003 . . . . . . 35 LEU QD2 . 15002 1 422 . 1 1 35 35 LEU HD22 H 1 0.948 0.003 . . . . . . 35 LEU QD2 . 15002 1 423 . 1 1 35 35 LEU HD23 H 1 0.948 0.003 . . . . . . 35 LEU QD2 . 15002 1 424 . 1 1 35 35 LEU C C 13 178.993 0.000 . . . . . . 35 LEU C . 15002 1 425 . 1 1 35 35 LEU CA C 13 59.128 0.044 . . . . . . 35 LEU CA . 15002 1 426 . 1 1 35 35 LEU CB C 13 41.071 0.033 . . . . . . 35 LEU CB . 15002 1 427 . 1 1 35 35 LEU CG C 13 27.097 0.015 . . . . . . 35 LEU CG . 15002 1 428 . 1 1 35 35 LEU CD1 C 13 24.140 0.070 . . . . . . 35 LEU CD1 . 15002 1 429 . 1 1 35 35 LEU N N 15 126.843 0.055 . . . . . . 35 LEU N . 15002 1 430 . 1 1 36 36 ILE H H 1 8.628 0.003 . . . . . . 36 ILE HN . 15002 1 431 . 1 1 36 36 ILE HA H 1 4.156 0.007 . . . . . . 36 ILE HA . 15002 1 432 . 1 1 36 36 ILE HB H 1 1.904 0.007 . . . . . . 36 ILE HB . 15002 1 433 . 1 1 36 36 ILE HG12 H 1 1.491 0.008 . . . . . . 36 ILE HG12 . 15002 1 434 . 1 1 36 36 ILE HG13 H 1 1.305 0.002 . . . . . . 36 ILE HG13 . 15002 1 435 . 1 1 36 36 ILE HG21 H 1 0.969 0.008 . . . . . . 36 ILE QG2 . 15002 1 436 . 1 1 36 36 ILE HG22 H 1 0.969 0.008 . . . . . . 36 ILE QG2 . 15002 1 437 . 1 1 36 36 ILE HG23 H 1 0.969 0.008 . . . . . . 36 ILE QG2 . 15002 1 438 . 1 1 36 36 ILE HD11 H 1 0.985 0.011 . . . . . . 36 ILE QD1 . 15002 1 439 . 1 1 36 36 ILE HD12 H 1 0.985 0.011 . . . . . . 36 ILE QD1 . 15002 1 440 . 1 1 36 36 ILE HD13 H 1 0.985 0.011 . . . . . . 36 ILE QD1 . 15002 1 441 . 1 1 36 36 ILE C C 13 176.422 0.000 . . . . . . 36 ILE C . 15002 1 442 . 1 1 36 36 ILE CA C 13 63.266 0.101 . . . . . . 36 ILE CA . 15002 1 443 . 1 1 36 36 ILE CB C 13 37.569 0.051 . . . . . . 36 ILE CB . 15002 1 444 . 1 1 36 36 ILE CG1 C 13 28.540 0.064 . . . . . . 36 ILE CG1 . 15002 1 445 . 1 1 36 36 ILE CG2 C 13 17.546 0.065 . . . . . . 36 ILE CG2 . 15002 1 446 . 1 1 36 36 ILE CD1 C 13 13.822 0.116 . . . . . . 36 ILE CD1 . 15002 1 447 . 1 1 36 36 ILE N N 15 115.808 0.031 . . . . . . 36 ILE N . 15002 1 448 . 1 1 37 37 LEU H H 1 6.596 0.004 . . . . . . 37 LEU HN . 15002 1 449 . 1 1 37 37 LEU HA H 1 4.191 0.006 . . . . . . 37 LEU HA . 15002 1 450 . 1 1 37 37 LEU HB2 H 1 1.926 0.010 . . . . . . 37 LEU HB2 . 15002 1 451 . 1 1 37 37 LEU HB3 H 1 1.337 0.009 . . . . . . 37 LEU HB3 . 15002 1 452 . 1 1 37 37 LEU HG H 1 1.381 0.009 . . . . . . 37 LEU HG . 15002 1 453 . 1 1 37 37 LEU HD11 H 1 1.145 0.003 . . . . . . 37 LEU QD1 . 15002 1 454 . 1 1 37 37 LEU HD12 H 1 1.145 0.003 . . . . . . 37 LEU QD1 . 15002 1 455 . 1 1 37 37 LEU HD13 H 1 1.145 0.003 . . . . . . 37 LEU QD1 . 15002 1 456 . 1 1 37 37 LEU HD21 H 1 1.018 0.002 . . . . . . 37 LEU QD2 . 15002 1 457 . 1 1 37 37 LEU HD22 H 1 1.018 0.002 . . . . . . 37 LEU QD2 . 15002 1 458 . 1 1 37 37 LEU HD23 H 1 1.018 0.002 . . . . . . 37 LEU QD2 . 15002 1 459 . 1 1 37 37 LEU C C 13 177.898 0.000 . . . . . . 37 LEU C . 15002 1 460 . 1 1 37 37 LEU CA C 13 57.394 0.090 . . . . . . 37 LEU CA . 15002 1 461 . 1 1 37 37 LEU CB C 13 43.167 0.053 . . . . . . 37 LEU CB . 15002 1 462 . 1 1 37 37 LEU CG C 13 26.878 0.041 . . . . . . 37 LEU CG . 15002 1 463 . 1 1 37 37 LEU CD1 C 13 23.952 0.106 . . . . . . 37 LEU CD1 . 15002 1 464 . 1 1 37 37 LEU CD2 C 13 26.608 0.049 . . . . . . 37 LEU CD2 . 15002 1 465 . 1 1 37 37 LEU N N 15 121.845 0.030 . . . . . . 37 LEU N . 15002 1 466 . 1 1 38 38 ARG H H 1 7.523 0.001 . . . . . . 38 ARG HN . 15002 1 467 . 1 1 38 38 ARG HA H 1 3.484 0.004 . . . . . . 38 ARG HA . 15002 1 468 . 1 1 38 38 ARG HB2 H 1 1.827 0.016 . . . . . . 38 ARG HB2 . 15002 1 469 . 1 1 38 38 ARG HB3 H 1 1.375 0.016 . . . . . . 38 ARG HB3 . 15002 1 470 . 1 1 38 38 ARG HG2 H 1 1.514 0.001 . . . . . . 38 ARG HG2 . 15002 1 471 . 1 1 38 38 ARG HG3 H 1 1.321 0.002 . . . . . . 38 ARG HG3 . 15002 1 472 . 1 1 38 38 ARG HD2 H 1 3.185 0.003 . . . . . . 38 ARG HD2 . 15002 1 473 . 1 1 38 38 ARG HD3 H 1 2.987 0.001 . . . . . . 38 ARG HD3 . 15002 1 474 . 1 1 38 38 ARG C C 13 177.969 0.000 . . . . . . 38 ARG C . 15002 1 475 . 1 1 38 38 ARG CA C 13 60.693 0.127 . . . . . . 38 ARG CA . 15002 1 476 . 1 1 38 38 ARG CB C 13 29.641 0.090 . . . . . . 38 ARG CB . 15002 1 477 . 1 1 38 38 ARG CG C 13 28.749 0.014 . . . . . . 38 ARG CG . 15002 1 478 . 1 1 38 38 ARG CD C 13 43.327 0.018 . . . . . . 38 ARG CD . 15002 1 479 . 1 1 38 38 ARG N N 15 118.991 0.019 . . . . . . 38 ARG N . 15002 1 480 . 1 1 39 39 GLN H H 1 8.821 0.002 . . . . . . 39 GLN HN . 15002 1 481 . 1 1 39 39 GLN HA H 1 3.992 0.004 . . . . . . 39 GLN HA . 15002 1 482 . 1 1 39 39 GLN HB2 H 1 2.325 0.013 . . . . . . 39 GLN HB2 . 15002 1 483 . 1 1 39 39 GLN HB3 H 1 2.122 0.008 . . . . . . 39 GLN HB3 . 15002 1 484 . 1 1 39 39 GLN HG2 H 1 2.574 0.003 . . . . . . 39 GLN HG2 . 15002 1 485 . 1 1 39 39 GLN HG3 H 1 2.448 0.002 . . . . . . 39 GLN HG3 . 15002 1 486 . 1 1 39 39 GLN HE21 H 1 7.429 0.000 . . . . . . 39 GLN HE21 . 15002 1 487 . 1 1 39 39 GLN HE22 H 1 6.823 0.000 . . . . . . 39 GLN HE22 . 15002 1 488 . 1 1 39 39 GLN C C 13 179.120 0.000 . . . . . . 39 GLN C . 15002 1 489 . 1 1 39 39 GLN CA C 13 59.349 0.107 . . . . . . 39 GLN CA . 15002 1 490 . 1 1 39 39 GLN CB C 13 28.255 0.014 . . . . . . 39 GLN CB . 15002 1 491 . 1 1 39 39 GLN CG C 13 34.018 0.094 . . . . . . 39 GLN CG . 15002 1 492 . 1 1 39 39 GLN N N 15 116.443 0.062 . . . . . . 39 GLN N . 15002 1 493 . 1 1 39 39 GLN NE2 N 15 111.383 0.008 . . . . . . 39 GLN NE2 . 15002 1 494 . 1 1 40 40 ARG H H 1 8.060 0.001 . . . . . . 40 ARG HN . 15002 1 495 . 1 1 40 40 ARG HA H 1 4.346 0.005 . . . . . . 40 ARG HA . 15002 1 496 . 1 1 40 40 ARG HB2 H 1 2.266 0.009 . . . . . . 40 ARG HB2 . 15002 1 497 . 1 1 40 40 ARG HB3 H 1 2.059 0.006 . . . . . . 40 ARG HB3 . 15002 1 498 . 1 1 40 40 ARG HG2 H 1 2.010 0.003 . . . . . . 40 ARG HG2 . 15002 1 499 . 1 1 40 40 ARG HG3 H 1 1.882 0.002 . . . . . . 40 ARG HG3 . 15002 1 500 . 1 1 40 40 ARG HD2 H 1 3.326 0.004 . . . . . . 40 ARG QD . 15002 1 501 . 1 1 40 40 ARG HD3 H 1 3.326 0.004 . . . . . . 40 ARG QD . 15002 1 502 . 1 1 40 40 ARG C C 13 180.732 0.000 . . . . . . 40 ARG C . 15002 1 503 . 1 1 40 40 ARG CA C 13 57.835 0.062 . . . . . . 40 ARG CA . 15002 1 504 . 1 1 40 40 ARG CB C 13 29.548 0.054 . . . . . . 40 ARG CB . 15002 1 505 . 1 1 40 40 ARG CG C 13 27.491 0.000 . . . . . . 40 ARG CG . 15002 1 506 . 1 1 40 40 ARG CD C 13 41.744 0.028 . . . . . . 40 ARG CD . 15002 1 507 . 1 1 40 40 ARG N N 15 118.261 0.097 . . . . . . 40 ARG N . 15002 1 508 . 1 1 41 41 TRP H H 1 8.883 0.002 . . . . . . 41 TRP HN . 15002 1 509 . 1 1 41 41 TRP HA H 1 4.133 0.006 . . . . . . 41 TRP HA . 15002 1 510 . 1 1 41 41 TRP HB2 H 1 3.579 0.005 . . . . . . 41 TRP HB2 . 15002 1 511 . 1 1 41 41 TRP HB3 H 1 3.117 0.004 . . . . . . 41 TRP HB3 . 15002 1 512 . 1 1 41 41 TRP HD1 H 1 7.602 0.001 . . . . . . 41 TRP HD1 . 15002 1 513 . 1 1 41 41 TRP HE1 H 1 10.349 0.006 . . . . . . 41 TRP HE1 . 15002 1 514 . 1 1 41 41 TRP HE3 H 1 7.522 0.000 . . . . . . 41 TRP HE3 . 15002 1 515 . 1 1 41 41 TRP HZ2 H 1 7.439 0.002 . . . . . . 41 TRP HZ2 . 15002 1 516 . 1 1 41 41 TRP HZ3 H 1 7.021 0.004 . . . . . . 41 TRP HZ3 . 15002 1 517 . 1 1 41 41 TRP HH2 H 1 6.950 0.004 . . . . . . 41 TRP HH2 . 15002 1 518 . 1 1 41 41 TRP C C 13 177.689 0.000 . . . . . . 41 TRP C . 15002 1 519 . 1 1 41 41 TRP CA C 13 63.672 0.042 . . . . . . 41 TRP CA . 15002 1 520 . 1 1 41 41 TRP CB C 13 28.018 0.037 . . . . . . 41 TRP CB . 15002 1 521 . 1 1 41 41 TRP CD1 C 13 125.983 0.061 . . . . . . 41 TRP CD1 . 15002 1 522 . 1 1 41 41 TRP CE3 C 13 119.566 0.069 . . . . . . 41 TRP CE3 . 15002 1 523 . 1 1 41 41 TRP CZ2 C 13 114.830 0.045 . . . . . . 41 TRP CZ2 . 15002 1 524 . 1 1 41 41 TRP CZ3 C 13 122.070 0.025 . . . . . . 41 TRP CZ3 . 15002 1 525 . 1 1 41 41 TRP CH2 C 13 124.639 0.084 . . . . . . 41 TRP CH2 . 15002 1 526 . 1 1 41 41 TRP N N 15 122.494 0.027 . . . . . . 41 TRP N . 15002 1 527 . 1 1 41 41 TRP NE1 N 15 129.664 0.013 . . . . . . 41 TRP NE1 . 15002 1 528 . 1 1 42 42 LEU H H 1 8.602 0.003 . . . . . . 42 LEU HN . 15002 1 529 . 1 1 42 42 LEU HA H 1 3.903 0.005 . . . . . . 42 LEU HA . 15002 1 530 . 1 1 42 42 LEU HB2 H 1 1.989 0.006 . . . . . . 42 LEU HB2 . 15002 1 531 . 1 1 42 42 LEU HB3 H 1 1.475 0.005 . . . . . . 42 LEU HB3 . 15002 1 532 . 1 1 42 42 LEU HG H 1 1.849 0.004 . . . . . . 42 LEU HG . 15002 1 533 . 1 1 42 42 LEU HD11 H 1 0.778 0.010 . . . . . . 42 LEU QD1 . 15002 1 534 . 1 1 42 42 LEU HD12 H 1 0.778 0.010 . . . . . . 42 LEU QD1 . 15002 1 535 . 1 1 42 42 LEU HD13 H 1 0.778 0.010 . . . . . . 42 LEU QD1 . 15002 1 536 . 1 1 42 42 LEU HD21 H 1 0.635 0.007 . . . . . . 42 LEU QD2 . 15002 1 537 . 1 1 42 42 LEU HD22 H 1 0.635 0.007 . . . . . . 42 LEU QD2 . 15002 1 538 . 1 1 42 42 LEU HD23 H 1 0.635 0.007 . . . . . . 42 LEU QD2 . 15002 1 539 . 1 1 42 42 LEU C C 13 179.217 0.000 . . . . . . 42 LEU C . 15002 1 540 . 1 1 42 42 LEU CA C 13 58.725 0.116 . . . . . . 42 LEU CA . 15002 1 541 . 1 1 42 42 LEU CB C 13 39.699 0.049 . . . . . . 42 LEU CB . 15002 1 542 . 1 1 42 42 LEU CG C 13 26.616 0.064 . . . . . . 42 LEU CG . 15002 1 543 . 1 1 42 42 LEU CD1 C 13 25.805 0.071 . . . . . . 42 LEU CD1 . 15002 1 544 . 1 1 42 42 LEU CD2 C 13 23.579 0.051 . . . . . . 42 LEU CD2 . 15002 1 545 . 1 1 42 42 LEU N N 15 118.189 0.032 . . . . . . 42 LEU N . 15002 1 546 . 1 1 43 43 THR H H 1 8.359 0.002 . . . . . . 43 THR HN . 15002 1 547 . 1 1 43 43 THR HA H 1 4.044 0.003 . . . . . . 43 THR HA . 15002 1 548 . 1 1 43 43 THR HB H 1 4.205 0.004 . . . . . . 43 THR HB . 15002 1 549 . 1 1 43 43 THR HG21 H 1 1.290 0.003 . . . . . . 43 THR QG2 . 15002 1 550 . 1 1 43 43 THR HG22 H 1 1.290 0.003 . . . . . . 43 THR QG2 . 15002 1 551 . 1 1 43 43 THR HG23 H 1 1.290 0.003 . . . . . . 43 THR QG2 . 15002 1 552 . 1 1 43 43 THR C C 13 177.472 0.000 . . . . . . 43 THR C . 15002 1 553 . 1 1 43 43 THR CA C 13 66.439 0.140 . . . . . . 43 THR CA . 15002 1 554 . 1 1 43 43 THR CB C 13 68.961 0.030 . . . . . . 43 THR CB . 15002 1 555 . 1 1 43 43 THR CG2 C 13 21.971 0.052 . . . . . . 43 THR CG2 . 15002 1 556 . 1 1 43 43 THR N N 15 115.072 0.029 . . . . . . 43 THR N . 15002 1 557 . 1 1 44 44 ALA H H 1 7.862 0.002 . . . . . . 44 ALA HN . 15002 1 558 . 1 1 44 44 ALA HA H 1 4.141 0.003 . . . . . . 44 ALA HA . 15002 1 559 . 1 1 44 44 ALA HB1 H 1 1.494 0.009 . . . . . . 44 ALA QB . 15002 1 560 . 1 1 44 44 ALA HB2 H 1 1.494 0.009 . . . . . . 44 ALA QB . 15002 1 561 . 1 1 44 44 ALA HB3 H 1 1.494 0.009 . . . . . . 44 ALA QB . 15002 1 562 . 1 1 44 44 ALA C C 13 178.687 0.000 . . . . . . 44 ALA C . 15002 1 563 . 1 1 44 44 ALA CA C 13 54.834 0.142 . . . . . . 44 ALA CA . 15002 1 564 . 1 1 44 44 ALA CB C 13 18.715 0.051 . . . . . . 44 ALA CB . 15002 1 565 . 1 1 44 44 ALA N N 15 124.248 0.021 . . . . . . 44 ALA N . 15002 1 566 . 1 1 45 45 ILE H H 1 7.571 0.002 . . . . . . 45 ILE HN . 15002 1 567 . 1 1 45 45 ILE HA H 1 3.862 0.004 . . . . . . 45 ILE HA . 15002 1 568 . 1 1 45 45 ILE HB H 1 2.054 0.008 . . . . . . 45 ILE HB . 15002 1 569 . 1 1 45 45 ILE HG12 H 1 1.934 0.007 . . . . . . 45 ILE HG12 . 15002 1 570 . 1 1 45 45 ILE HG13 H 1 1.205 0.004 . . . . . . 45 ILE HG13 . 15002 1 571 . 1 1 45 45 ILE HG21 H 1 0.786 0.005 . . . . . . 45 ILE QG2 . 15002 1 572 . 1 1 45 45 ILE HG22 H 1 0.786 0.005 . . . . . . 45 ILE QG2 . 15002 1 573 . 1 1 45 45 ILE HG23 H 1 0.786 0.005 . . . . . . 45 ILE QG2 . 15002 1 574 . 1 1 45 45 ILE HD11 H 1 0.875 0.003 . . . . . . 45 ILE QD1 . 15002 1 575 . 1 1 45 45 ILE HD12 H 1 0.875 0.003 . . . . . . 45 ILE QD1 . 15002 1 576 . 1 1 45 45 ILE HD13 H 1 0.875 0.003 . . . . . . 45 ILE QD1 . 15002 1 577 . 1 1 45 45 ILE C C 13 175.011 0.000 . . . . . . 45 ILE C . 15002 1 578 . 1 1 45 45 ILE CA C 13 59.898 0.063 . . . . . . 45 ILE CA . 15002 1 579 . 1 1 45 45 ILE CB C 13 37.878 0.055 . . . . . . 45 ILE CB . 15002 1 580 . 1 1 45 45 ILE CG1 C 13 25.293 0.143 . . . . . . 45 ILE CG1 . 15002 1 581 . 1 1 45 45 ILE CG2 C 13 16.767 0.052 . . . . . . 45 ILE CG2 . 15002 1 582 . 1 1 45 45 ILE CD1 C 13 15.363 0.065 . . . . . . 45 ILE CD1 . 15002 1 583 . 1 1 45 45 ILE N N 15 106.427 0.037 . . . . . . 45 ILE N . 15002 1 584 . 1 1 46 46 GLY H H 1 7.699 0.003 . . . . . . 46 GLY HN . 15002 1 585 . 1 1 46 46 GLY HA2 H 1 3.929 0.004 . . . . . . 46 GLY HA1 . 15002 1 586 . 1 1 46 46 GLY HA3 H 1 3.870 0.009 . . . . . . 46 GLY HA2 . 15002 1 587 . 1 1 46 46 GLY C C 13 174.839 0.000 . . . . . . 46 GLY C . 15002 1 588 . 1 1 46 46 GLY CA C 13 46.820 0.084 . . . . . . 46 GLY CA . 15002 1 589 . 1 1 46 46 GLY N N 15 111.276 0.022 . . . . . . 46 GLY N . 15002 1 590 . 1 1 47 47 ARG H H 1 8.132 0.002 . . . . . . 47 ARG HN . 15002 1 591 . 1 1 47 47 ARG HA H 1 4.825 0.005 . . . . . . 47 ARG HA . 15002 1 592 . 1 1 47 47 ARG HB2 H 1 1.918 0.007 . . . . . . 47 ARG HB2 . 15002 1 593 . 1 1 47 47 ARG HB3 H 1 1.352 0.005 . . . . . . 47 ARG HB3 . 15002 1 594 . 1 1 47 47 ARG HG2 H 1 1.585 0.002 . . . . . . 47 ARG HG2 . 15002 1 595 . 1 1 47 47 ARG HG3 H 1 1.505 0.002 . . . . . . 47 ARG HG3 . 15002 1 596 . 1 1 47 47 ARG HD2 H 1 3.233 0.005 . . . . . . 47 ARG HD2 . 15002 1 597 . 1 1 47 47 ARG HD3 H 1 2.966 0.011 . . . . . . 47 ARG HD3 . 15002 1 598 . 1 1 47 47 ARG C C 13 174.067 0.000 . . . . . . 47 ARG C . 15002 1 599 . 1 1 47 47 ARG CA C 13 53.500 0.043 . . . . . . 47 ARG CA . 15002 1 600 . 1 1 47 47 ARG CB C 13 34.312 0.042 . . . . . . 47 ARG CB . 15002 1 601 . 1 1 47 47 ARG CG C 13 27.407 0.010 . . . . . . 47 ARG CG . 15002 1 602 . 1 1 47 47 ARG CD C 13 42.997 0.040 . . . . . . 47 ARG CD . 15002 1 603 . 1 1 47 47 ARG N N 15 117.191 0.055 . . . . . . 47 ARG N . 15002 1 604 . 1 1 48 48 THR H H 1 7.755 0.001 . . . . . . 48 THR HN . 15002 1 605 . 1 1 48 48 THR HA H 1 4.603 0.006 . . . . . . 48 THR HA . 15002 1 606 . 1 1 48 48 THR HB H 1 4.601 0.008 . . . . . . 48 THR HB . 15002 1 607 . 1 1 48 48 THR HG21 H 1 1.158 0.004 . . . . . . 48 THR QG2 . 15002 1 608 . 1 1 48 48 THR HG22 H 1 1.158 0.004 . . . . . . 48 THR QG2 . 15002 1 609 . 1 1 48 48 THR HG23 H 1 1.158 0.004 . . . . . . 48 THR QG2 . 15002 1 610 . 1 1 48 48 THR C C 13 175.117 0.000 . . . . . . 48 THR C . 15002 1 611 . 1 1 48 48 THR CA C 13 59.634 0.097 . . . . . . 48 THR CA . 15002 1 612 . 1 1 48 48 THR CB C 13 72.163 0.080 . . . . . . 48 THR CB . 15002 1 613 . 1 1 48 48 THR CG2 C 13 21.469 0.074 . . . . . . 48 THR CG2 . 15002 1 614 . 1 1 48 48 THR N N 15 110.186 0.061 . . . . . . 48 THR N . 15002 1 615 . 1 1 49 49 GLU H H 1 8.929 0.007 . . . . . . 49 GLU HN . 15002 1 616 . 1 1 49 49 GLU HA H 1 4.136 0.008 . . . . . . 49 GLU HA . 15002 1 617 . 1 1 49 49 GLU HB2 H 1 2.068 0.003 . . . . . . 49 GLU HB2 . 15002 1 618 . 1 1 49 49 GLU HB3 H 1 1.917 0.004 . . . . . . 49 GLU HB3 . 15002 1 619 . 1 1 49 49 GLU HG2 H 1 2.335 0.002 . . . . . . 49 GLU QG . 15002 1 620 . 1 1 49 49 GLU HG3 H 1 2.335 0.002 . . . . . . 49 GLU QG . 15002 1 621 . 1 1 49 49 GLU C C 13 177.725 0.000 . . . . . . 49 GLU C . 15002 1 622 . 1 1 49 49 GLU CA C 13 58.773 0.077 . . . . . . 49 GLU CA . 15002 1 623 . 1 1 49 49 GLU CB C 13 29.042 0.063 . . . . . . 49 GLU CB . 15002 1 624 . 1 1 49 49 GLU CG C 13 34.782 0.032 . . . . . . 49 GLU CG . 15002 1 625 . 1 1 49 49 GLU N N 15 120.462 0.029 . . . . . . 49 GLU N . 15002 1 626 . 1 1 50 50 GLU H H 1 8.186 0.004 . . . . . . 50 GLU HN . 15002 1 627 . 1 1 50 50 GLU HA H 1 4.281 0.007 . . . . . . 50 GLU HA . 15002 1 628 . 1 1 50 50 GLU HB2 H 1 2.100 0.005 . . . . . . 50 GLU HB2 . 15002 1 629 . 1 1 50 50 GLU HB3 H 1 2.007 0.004 . . . . . . 50 GLU HB3 . 15002 1 630 . 1 1 50 50 GLU HG2 H 1 2.361 0.003 . . . . . . 50 GLU HG2 . 15002 1 631 . 1 1 50 50 GLU HG3 H 1 2.276 0.003 . . . . . . 50 GLU HG3 . 15002 1 632 . 1 1 50 50 GLU C C 13 177.765 0.000 . . . . . . 50 GLU C . 15002 1 633 . 1 1 50 50 GLU CA C 13 58.335 0.009 . . . . . . 50 GLU CA . 15002 1 634 . 1 1 50 50 GLU CB C 13 30.167 0.092 . . . . . . 50 GLU CB . 15002 1 635 . 1 1 50 50 GLU CG C 13 36.986 0.051 . . . . . . 50 GLU CG . 15002 1 636 . 1 1 50 50 GLU N N 15 115.969 0.047 . . . . . . 50 GLU N . 15002 1 637 . 1 1 51 51 THR H H 1 7.788 0.006 . . . . . . 51 THR HN . 15002 1 638 . 1 1 51 51 THR HA H 1 4.502 0.005 . . . . . . 51 THR HA . 15002 1 639 . 1 1 51 51 THR HB H 1 4.562 0.003 . . . . . . 51 THR HB . 15002 1 640 . 1 1 51 51 THR HG21 H 1 1.190 0.011 . . . . . . 51 THR QG2 . 15002 1 641 . 1 1 51 51 THR HG22 H 1 1.190 0.011 . . . . . . 51 THR QG2 . 15002 1 642 . 1 1 51 51 THR HG23 H 1 1.190 0.011 . . . . . . 51 THR QG2 . 15002 1 643 . 1 1 51 51 THR C C 13 175.419 0.000 . . . . . . 51 THR C . 15002 1 644 . 1 1 51 51 THR CA C 13 61.631 0.040 . . . . . . 51 THR CA . 15002 1 645 . 1 1 51 51 THR CB C 13 69.602 0.073 . . . . . . 51 THR CB . 15002 1 646 . 1 1 51 51 THR CG2 C 13 22.240 0.058 . . . . . . 51 THR CG2 . 15002 1 647 . 1 1 51 51 THR N N 15 108.808 0.086 . . . . . . 51 THR N . 15002 1 648 . 1 1 52 52 VAL H H 1 7.663 0.003 . . . . . . 52 VAL HN . 15002 1 649 . 1 1 52 52 VAL HA H 1 4.051 0.004 . . . . . . 52 VAL HA . 15002 1 650 . 1 1 52 52 VAL HB H 1 2.124 0.003 . . . . . . 52 VAL HB . 15002 1 651 . 1 1 52 52 VAL HG11 H 1 0.991 0.009 . . . . . . 52 VAL QG1 . 15002 1 652 . 1 1 52 52 VAL HG12 H 1 0.991 0.009 . . . . . . 52 VAL QG1 . 15002 1 653 . 1 1 52 52 VAL HG13 H 1 0.991 0.009 . . . . . . 52 VAL QG1 . 15002 1 654 . 1 1 52 52 VAL HG21 H 1 0.919 0.004 . . . . . . 52 VAL QG2 . 15002 1 655 . 1 1 52 52 VAL HG22 H 1 0.919 0.004 . . . . . . 52 VAL QG2 . 15002 1 656 . 1 1 52 52 VAL HG23 H 1 0.919 0.004 . . . . . . 52 VAL QG2 . 15002 1 657 . 1 1 52 52 VAL C C 13 174.450 0.000 . . . . . . 52 VAL C . 15002 1 658 . 1 1 52 52 VAL CA C 13 63.281 0.083 . . . . . . 52 VAL CA . 15002 1 659 . 1 1 52 52 VAL CB C 13 32.210 0.071 . . . . . . 52 VAL CB . 15002 1 660 . 1 1 52 52 VAL CG1 C 13 22.301 0.023 . . . . . . 52 VAL CG1 . 15002 1 661 . 1 1 52 52 VAL CG2 C 13 21.472 0.042 . . . . . . 52 VAL CG2 . 15002 1 662 . 1 1 52 52 VAL N N 15 121.672 0.032 . . . . . . 52 VAL N . 15002 1 663 . 1 1 53 53 VAL H H 1 6.906 0.008 . . . . . . 53 VAL HN . 15002 1 664 . 1 1 53 53 VAL HA H 1 4.599 0.005 . . . . . . 53 VAL HA . 15002 1 665 . 1 1 53 53 VAL HB H 1 2.430 0.006 . . . . . . 53 VAL HB . 15002 1 666 . 1 1 53 53 VAL HG11 H 1 0.988 0.006 . . . . . . 53 VAL QG1 . 15002 1 667 . 1 1 53 53 VAL HG12 H 1 0.988 0.006 . . . . . . 53 VAL QG1 . 15002 1 668 . 1 1 53 53 VAL HG13 H 1 0.988 0.006 . . . . . . 53 VAL QG1 . 15002 1 669 . 1 1 53 53 VAL HG21 H 1 0.944 0.002 . . . . . . 53 VAL QG2 . 15002 1 670 . 1 1 53 53 VAL HG22 H 1 0.944 0.002 . . . . . . 53 VAL QG2 . 15002 1 671 . 1 1 53 53 VAL HG23 H 1 0.944 0.002 . . . . . . 53 VAL QG2 . 15002 1 672 . 1 1 53 53 VAL CA C 13 60.501 0.046 . . . . . . 53 VAL CA . 15002 1 673 . 1 1 53 53 VAL CB C 13 33.939 0.059 . . . . . . 53 VAL CB . 15002 1 674 . 1 1 53 53 VAL CG1 C 13 21.958 0.050 . . . . . . 53 VAL CG1 . 15002 1 675 . 1 1 53 53 VAL CG2 C 13 19.517 0.057 . . . . . . 53 VAL CG2 . 15002 1 676 . 1 1 53 53 VAL N N 15 117.279 0.057 . . . . . . 53 VAL N . 15002 1 677 . 1 1 54 54 SER HA H 1 4.253 0.003 . . . . . . 54 SER HA . 15002 1 678 . 1 1 54 54 SER HB2 H 1 3.975 0.003 . . . . . . 54 SER QB . 15002 1 679 . 1 1 54 54 SER HB3 H 1 3.975 0.003 . . . . . . 54 SER QB . 15002 1 680 . 1 1 54 54 SER C C 13 175.610 0.000 . . . . . . 54 SER C . 15002 1 681 . 1 1 54 54 SER CA C 13 61.037 0.044 . . . . . . 54 SER CA . 15002 1 682 . 1 1 54 54 SER CB C 13 62.995 0.136 . . . . . . 54 SER CB . 15002 1 683 . 1 1 55 55 GLN H H 1 8.435 0.007 . . . . . . 55 GLN HN . 15002 1 684 . 1 1 55 55 GLN HA H 1 4.256 0.007 . . . . . . 55 GLN HA . 15002 1 685 . 1 1 55 55 GLN HB2 H 1 2.207 0.003 . . . . . . 55 GLN HB2 . 15002 1 686 . 1 1 55 55 GLN HB3 H 1 2.069 0.004 . . . . . . 55 GLN HB3 . 15002 1 687 . 1 1 55 55 GLN HG2 H 1 2.428 0.004 . . . . . . 55 GLN QG . 15002 1 688 . 1 1 55 55 GLN HG3 H 1 2.428 0.004 . . . . . . 55 GLN QG . 15002 1 689 . 1 1 55 55 GLN HE21 H 1 7.539 0.000 . . . . . . 55 GLN HE21 . 15002 1 690 . 1 1 55 55 GLN HE22 H 1 6.879 0.000 . . . . . . 55 GLN HE22 . 15002 1 691 . 1 1 55 55 GLN C C 13 175.474 0.000 . . . . . . 55 GLN C . 15002 1 692 . 1 1 55 55 GLN CA C 13 56.461 0.129 . . . . . . 55 GLN CA . 15002 1 693 . 1 1 55 55 GLN CB C 13 27.916 0.145 . . . . . . 55 GLN CB . 15002 1 694 . 1 1 55 55 GLN CG C 13 33.643 0.086 . . . . . . 55 GLN CG . 15002 1 695 . 1 1 55 55 GLN N N 15 117.799 0.028 . . . . . . 55 GLN N . 15002 1 696 . 1 1 55 55 GLN NE2 N 15 112.244 0.018 . . . . . . 55 GLN NE2 . 15002 1 697 . 1 1 56 56 LEU H H 1 7.350 0.003 . . . . . . 56 LEU HN . 15002 1 698 . 1 1 56 56 LEU HA H 1 4.295 0.006 . . . . . . 56 LEU HA . 15002 1 699 . 1 1 56 56 LEU HB2 H 1 1.808 0.014 . . . . . . 56 LEU HB2 . 15002 1 700 . 1 1 56 56 LEU HB3 H 1 1.659 0.004 . . . . . . 56 LEU HB3 . 15002 1 701 . 1 1 56 56 LEU HG H 1 1.792 0.003 . . . . . . 56 LEU HG . 15002 1 702 . 1 1 56 56 LEU HD11 H 1 1.062 0.002 . . . . . . 56 LEU QD1 . 15002 1 703 . 1 1 56 56 LEU HD12 H 1 1.062 0.002 . . . . . . 56 LEU QD1 . 15002 1 704 . 1 1 56 56 LEU HD13 H 1 1.062 0.002 . . . . . . 56 LEU QD1 . 15002 1 705 . 1 1 56 56 LEU HD21 H 1 0.982 0.003 . . . . . . 56 LEU QD2 . 15002 1 706 . 1 1 56 56 LEU HD22 H 1 0.982 0.003 . . . . . . 56 LEU QD2 . 15002 1 707 . 1 1 56 56 LEU HD23 H 1 0.982 0.003 . . . . . . 56 LEU QD2 . 15002 1 708 . 1 1 56 56 LEU C C 13 177.118 0.000 . . . . . . 56 LEU C . 15002 1 709 . 1 1 56 56 LEU CA C 13 56.300 0.039 . . . . . . 56 LEU CA . 15002 1 710 . 1 1 56 56 LEU CB C 13 43.233 0.065 . . . . . . 56 LEU CB . 15002 1 711 . 1 1 56 56 LEU CG C 13 27.450 0.017 . . . . . . 56 LEU CG . 15002 1 712 . 1 1 56 56 LEU CD1 C 13 25.478 0.038 . . . . . . 56 LEU CD1 . 15002 1 713 . 1 1 56 56 LEU N N 15 121.827 0.049 . . . . . . 56 LEU N . 15002 1 714 . 1 1 57 57 ARG H H 1 9.115 0.004 . . . . . . 57 ARG HN . 15002 1 715 . 1 1 57 57 ARG HA H 1 5.348 0.003 . . . . . . 57 ARG HA . 15002 1 716 . 1 1 57 57 ARG HB2 H 1 1.931 0.010 . . . . . . 57 ARG HB2 . 15002 1 717 . 1 1 57 57 ARG HB3 H 1 1.695 0.010 . . . . . . 57 ARG HB3 . 15002 1 718 . 1 1 57 57 ARG HG2 H 1 1.747 0.011 . . . . . . 57 ARG HG2 . 15002 1 719 . 1 1 57 57 ARG HG3 H 1 1.546 0.007 . . . . . . 57 ARG HG3 . 15002 1 720 . 1 1 57 57 ARG HD2 H 1 3.290 0.003 . . . . . . 57 ARG HD2 . 15002 1 721 . 1 1 57 57 ARG HD3 H 1 2.756 0.004 . . . . . . 57 ARG HD3 . 15002 1 722 . 1 1 57 57 ARG C C 13 174.515 0.000 . . . . . . 57 ARG C . 15002 1 723 . 1 1 57 57 ARG CA C 13 53.186 0.063 . . . . . . 57 ARG CA . 15002 1 724 . 1 1 57 57 ARG CB C 13 35.428 0.093 . . . . . . 57 ARG CB . 15002 1 725 . 1 1 57 57 ARG CG C 13 26.606 0.046 . . . . . . 57 ARG CG . 15002 1 726 . 1 1 57 57 ARG CD C 13 43.002 0.045 . . . . . . 57 ARG CD . 15002 1 727 . 1 1 57 57 ARG N N 15 125.125 0.032 . . . . . . 57 ARG N . 15002 1 728 . 1 1 58 58 ILE H H 1 9.648 0.004 . . . . . . 58 ILE HN . 15002 1 729 . 1 1 58 58 ILE HA H 1 5.364 0.002 . . . . . . 58 ILE HA . 15002 1 730 . 1 1 58 58 ILE HB H 1 2.480 0.006 . . . . . . 58 ILE HB . 15002 1 731 . 1 1 58 58 ILE HG12 H 1 1.881 0.009 . . . . . . 58 ILE HG12 . 15002 1 732 . 1 1 58 58 ILE HG13 H 1 1.679 0.002 . . . . . . 58 ILE HG13 . 15002 1 733 . 1 1 58 58 ILE HG21 H 1 1.255 0.002 . . . . . . 58 ILE QG2 . 15002 1 734 . 1 1 58 58 ILE HG22 H 1 1.255 0.002 . . . . . . 58 ILE QG2 . 15002 1 735 . 1 1 58 58 ILE HG23 H 1 1.255 0.002 . . . . . . 58 ILE QG2 . 15002 1 736 . 1 1 58 58 ILE HD11 H 1 1.045 0.002 . . . . . . 58 ILE QD1 . 15002 1 737 . 1 1 58 58 ILE HD12 H 1 1.045 0.002 . . . . . . 58 ILE QD1 . 15002 1 738 . 1 1 58 58 ILE HD13 H 1 1.045 0.002 . . . . . . 58 ILE QD1 . 15002 1 739 . 1 1 58 58 ILE C C 13 175.864 0.000 . . . . . . 58 ILE C . 15002 1 740 . 1 1 58 58 ILE CA C 13 57.701 0.063 . . . . . . 58 ILE CA . 15002 1 741 . 1 1 58 58 ILE CB C 13 39.712 0.055 . . . . . . 58 ILE CB . 15002 1 742 . 1 1 58 58 ILE CG1 C 13 27.903 0.033 . . . . . . 58 ILE CG1 . 15002 1 743 . 1 1 58 58 ILE CG2 C 13 18.650 0.072 . . . . . . 58 ILE CG2 . 15002 1 744 . 1 1 58 58 ILE CD1 C 13 11.331 0.078 . . . . . . 58 ILE CD1 . 15002 1 745 . 1 1 58 58 ILE N N 15 122.313 0.041 . . . . . . 58 ILE N . 15002 1 746 . 1 1 59 59 CYS H H 1 10.739 0.004 . . . . . . 59 CYS HN . 15002 1 747 . 1 1 59 59 CYS HA H 1 4.950 0.009 . . . . . . 59 CYS HA . 15002 1 748 . 1 1 59 59 CYS HB2 H 1 2.842 0.004 . . . . . . 59 CYS HB2 . 15002 1 749 . 1 1 59 59 CYS HB3 H 1 2.533 0.002 . . . . . . 59 CYS HB3 . 15002 1 750 . 1 1 59 59 CYS C C 13 175.613 0.000 . . . . . . 59 CYS C . 15002 1 751 . 1 1 59 59 CYS CA C 13 59.155 0.171 . . . . . . 59 CYS CA . 15002 1 752 . 1 1 59 59 CYS CB C 13 32.187 0.105 . . . . . . 59 CYS CB . 15002 1 753 . 1 1 59 59 CYS N N 15 134.055 0.034 . . . . . . 59 CYS N . 15002 1 754 . 1 1 60 60 SER H H 1 7.990 0.002 . . . . . . 60 SER HN . 15002 1 755 . 1 1 60 60 SER HA H 1 4.236 0.007 . . . . . . 60 SER HA . 15002 1 756 . 1 1 60 60 SER HB2 H 1 4.374 0.003 . . . . . . 60 SER HB2 . 15002 1 757 . 1 1 60 60 SER HB3 H 1 3.317 0.002 . . . . . . 60 SER HB3 . 15002 1 758 . 1 1 60 60 SER C C 13 173.937 0.000 . . . . . . 60 SER C . 15002 1 759 . 1 1 60 60 SER CA C 13 60.209 0.044 . . . . . . 60 SER CA . 15002 1 760 . 1 1 60 60 SER CB C 13 62.136 0.065 . . . . . . 60 SER CB . 15002 1 761 . 1 1 60 60 SER N N 15 110.566 0.044 . . . . . . 60 SER N . 15002 1 762 . 1 1 61 61 ALA H H 1 7.804 0.003 . . . . . . 61 ALA HN . 15002 1 763 . 1 1 61 61 ALA HA H 1 3.900 0.005 . . . . . . 61 ALA HA . 15002 1 764 . 1 1 61 61 ALA HB1 H 1 0.139 0.008 . . . . . . 61 ALA QB . 15002 1 765 . 1 1 61 61 ALA HB2 H 1 0.139 0.008 . . . . . . 61 ALA QB . 15002 1 766 . 1 1 61 61 ALA HB3 H 1 0.139 0.008 . . . . . . 61 ALA QB . 15002 1 767 . 1 1 61 61 ALA C C 13 176.066 0.000 . . . . . . 61 ALA C . 15002 1 768 . 1 1 61 61 ALA CA C 13 52.640 0.140 . . . . . . 61 ALA CA . 15002 1 769 . 1 1 61 61 ALA CB C 13 17.382 0.093 . . . . . . 61 ALA CB . 15002 1 770 . 1 1 61 61 ALA N N 15 123.843 0.031 . . . . . . 61 ALA N . 15002 1 771 . 1 1 62 62 HIS H H 1 6.360 0.003 . . . . . . 62 HIS HN . 15002 1 772 . 1 1 62 62 HIS HA H 1 3.968 0.003 . . . . . . 62 HIS HA . 15002 1 773 . 1 1 62 62 HIS HB2 H 1 3.116 0.005 . . . . . . 62 HIS HB2 . 15002 1 774 . 1 1 62 62 HIS HB3 H 1 1.869 0.007 . . . . . . 62 HIS HB3 . 15002 1 775 . 1 1 62 62 HIS HD1 H 1 10.203 0.000 . . . . . . 62 HIS HD1 . 15002 1 776 . 1 1 62 62 HIS HD2 H 1 7.947 0.000 . . . . . . 62 HIS HD2 . 15002 1 777 . 1 1 62 62 HIS HE1 H 1 8.182 0.000 . . . . . . 62 HIS HE1 . 15002 1 778 . 1 1 62 62 HIS C C 13 171.005 0.000 . . . . . . 62 HIS C . 15002 1 779 . 1 1 62 62 HIS CA C 13 55.732 0.110 . . . . . . 62 HIS CA . 15002 1 780 . 1 1 62 62 HIS CB C 13 28.285 0.063 . . . . . . 62 HIS CB . 15002 1 781 . 1 1 62 62 HIS CD2 C 13 132.368 0.000 . . . . . . 62 HIS CD2 . 15002 1 782 . 1 1 62 62 HIS CE1 C 13 139.429 0.000 . . . . . . 62 HIS CE1 . 15002 1 783 . 1 1 62 62 HIS N N 15 111.679 0.032 . . . . . . 62 HIS N . 15002 1 784 . 1 1 62 62 HIS ND1 N 15 163.172 0.000 . . . . . . 62 HIS ND1 . 15002 1 785 . 1 1 63 63 PHE H H 1 7.047 0.003 . . . . . . 63 PHE HN . 15002 1 786 . 1 1 63 63 PHE HA H 1 5.041 0.015 . . . . . . 63 PHE HA . 15002 1 787 . 1 1 63 63 PHE HB2 H 1 2.940 0.007 . . . . . . 63 PHE HB2 . 15002 1 788 . 1 1 63 63 PHE HB3 H 1 2.406 0.005 . . . . . . 63 PHE HB3 . 15002 1 789 . 1 1 63 63 PHE HD1 H 1 7.291 0.002 . . . . . . 63 PHE QD . 15002 1 790 . 1 1 63 63 PHE HD2 H 1 7.291 0.002 . . . . . . 63 PHE QD . 15002 1 791 . 1 1 63 63 PHE HZ H 1 6.720 0.004 . . . . . . 63 PHE HZ . 15002 1 792 . 1 1 63 63 PHE C C 13 175.479 0.000 . . . . . . 63 PHE C . 15002 1 793 . 1 1 63 63 PHE CA C 13 55.544 0.146 . . . . . . 63 PHE CA . 15002 1 794 . 1 1 63 63 PHE CB C 13 41.513 0.070 . . . . . . 63 PHE CB . 15002 1 795 . 1 1 63 63 PHE CD1 C 13 133.010 0.020 . . . . . . 63 PHE CD1 . 15002 1 796 . 1 1 63 63 PHE CD2 C 13 133.010 0.020 . . . . . . 63 PHE CD2 . 15002 1 797 . 1 1 63 63 PHE CZ C 13 128.689 0.000 . . . . . . 63 PHE CZ . 15002 1 798 . 1 1 63 63 PHE N N 15 115.508 0.024 . . . . . . 63 PHE N . 15002 1 799 . 1 1 64 64 GLU H H 1 9.420 0.003 . . . . . . 64 GLU HN . 15002 1 800 . 1 1 64 64 GLU HA H 1 3.924 0.006 . . . . . . 64 GLU HA . 15002 1 801 . 1 1 64 64 GLU HB2 H 1 2.153 0.008 . . . . . . 64 GLU QB . 15002 1 802 . 1 1 64 64 GLU HB3 H 1 2.153 0.008 . . . . . . 64 GLU QB . 15002 1 803 . 1 1 64 64 GLU HG2 H 1 2.346 0.003 . . . . . . 64 GLU HG2 . 15002 1 804 . 1 1 64 64 GLU HG3 H 1 2.228 0.002 . . . . . . 64 GLU HG3 . 15002 1 805 . 1 1 64 64 GLU C C 13 177.438 0.000 . . . . . . 64 GLU C . 15002 1 806 . 1 1 64 64 GLU CA C 13 58.096 0.085 . . . . . . 64 GLU CA . 15002 1 807 . 1 1 64 64 GLU CB C 13 29.438 0.077 . . . . . . 64 GLU CB . 15002 1 808 . 1 1 64 64 GLU CG C 13 36.186 0.056 . . . . . . 64 GLU CG . 15002 1 809 . 1 1 64 64 GLU N N 15 128.482 0.025 . . . . . . 64 GLU N . 15002 1 810 . 1 1 65 65 GLY H H 1 8.985 0.004 . . . . . . 65 GLY HN . 15002 1 811 . 1 1 65 65 GLY HA2 H 1 4.158 0.003 . . . . . . 65 GLY HA1 . 15002 1 812 . 1 1 65 65 GLY HA3 H 1 3.766 0.005 . . . . . . 65 GLY HA2 . 15002 1 813 . 1 1 65 65 GLY C C 13 174.874 0.000 . . . . . . 65 GLY C . 15002 1 814 . 1 1 65 65 GLY CA C 13 45.556 0.132 . . . . . . 65 GLY CA . 15002 1 815 . 1 1 65 65 GLY N N 15 114.660 0.024 . . . . . . 65 GLY N . 15002 1 816 . 1 1 66 66 GLY H H 1 8.514 0.003 . . . . . . 66 GLY HN . 15002 1 817 . 1 1 66 66 GLY HA2 H 1 4.075 0.003 . . . . . . 66 GLY HA1 . 15002 1 818 . 1 1 66 66 GLY HA3 H 1 3.912 0.003 . . . . . . 66 GLY HA2 . 15002 1 819 . 1 1 66 66 GLY C C 13 173.316 0.000 . . . . . . 66 GLY C . 15002 1 820 . 1 1 66 66 GLY CA C 13 45.850 0.030 . . . . . . 66 GLY CA . 15002 1 821 . 1 1 66 66 GLY N N 15 108.710 0.022 . . . . . . 66 GLY N . 15002 1 822 . 1 1 67 67 GLU H H 1 6.977 0.004 . . . . . . 67 GLU HN . 15002 1 823 . 1 1 67 67 GLU HA H 1 4.599 0.004 . . . . . . 67 GLU HA . 15002 1 824 . 1 1 67 67 GLU HB2 H 1 1.860 0.002 . . . . . . 67 GLU HB2 . 15002 1 825 . 1 1 67 67 GLU HB3 H 1 1.763 0.002 . . . . . . 67 GLU HB3 . 15002 1 826 . 1 1 67 67 GLU HG2 H 1 2.142 0.001 . . . . . . 67 GLU HG2 . 15002 1 827 . 1 1 67 67 GLU HG3 H 1 2.061 0.001 . . . . . . 67 GLU HG3 . 15002 1 828 . 1 1 67 67 GLU C C 13 173.547 0.000 . . . . . . 67 GLU C . 15002 1 829 . 1 1 67 67 GLU CA C 13 54.729 0.049 . . . . . . 67 GLU CA . 15002 1 830 . 1 1 67 67 GLU CB C 13 32.621 0.042 . . . . . . 67 GLU CB . 15002 1 831 . 1 1 67 67 GLU CG C 13 35.854 0.053 . . . . . . 67 GLU CG . 15002 1 832 . 1 1 67 67 GLU N N 15 116.482 0.031 . . . . . . 67 GLU N . 15002 1 833 . 1 1 68 68 LYS H H 1 7.225 0.004 . . . . . . 68 LYS HN . 15002 1 834 . 1 1 68 68 LYS HA H 1 3.847 0.003 . . . . . . 68 LYS HA . 15002 1 835 . 1 1 68 68 LYS HB2 H 1 0.125 0.003 . . . . . . 68 LYS HB2 . 15002 1 836 . 1 1 68 68 LYS HB3 H 1 0.056 0.002 . . . . . . 68 LYS HB3 . 15002 1 837 . 1 1 68 68 LYS HG2 H 1 0.729 0.002 . . . . . . 68 LYS HG2 . 15002 1 838 . 1 1 68 68 LYS HG3 H 1 0.670 0.004 . . . . . . 68 LYS HG3 . 15002 1 839 . 1 1 68 68 LYS HD2 H 1 1.357 0.005 . . . . . . 68 LYS HD2 . 15002 1 840 . 1 1 68 68 LYS HD3 H 1 0.357 0.003 . . . . . . 68 LYS HD3 . 15002 1 841 . 1 1 68 68 LYS HE2 H 1 2.678 0.002 . . . . . . 68 LYS HE2 . 15002 1 842 . 1 1 68 68 LYS HE3 H 1 2.143 0.002 . . . . . . 68 LYS HE3 . 15002 1 843 . 1 1 68 68 LYS C C 13 175.554 0.000 . . . . . . 68 LYS C . 15002 1 844 . 1 1 68 68 LYS CA C 13 55.843 0.082 . . . . . . 68 LYS CA . 15002 1 845 . 1 1 68 68 LYS CB C 13 32.426 0.038 . . . . . . 68 LYS CB . 15002 1 846 . 1 1 68 68 LYS CG C 13 23.104 0.143 . . . . . . 68 LYS CG . 15002 1 847 . 1 1 68 68 LYS CD C 13 28.447 0.087 . . . . . . 68 LYS CD . 15002 1 848 . 1 1 68 68 LYS CE C 13 40.533 0.124 . . . . . . 68 LYS CE . 15002 1 849 . 1 1 68 68 LYS N N 15 124.015 0.016 . . . . . . 68 LYS N . 15002 1 850 . 1 1 69 69 LYS H H 1 9.288 0.004 . . . . . . 69 LYS HN . 15002 1 851 . 1 1 69 69 LYS HA H 1 4.516 0.006 . . . . . . 69 LYS HA . 15002 1 852 . 1 1 69 69 LYS HB2 H 1 1.864 0.005 . . . . . . 69 LYS QB . 15002 1 853 . 1 1 69 69 LYS HB3 H 1 1.864 0.005 . . . . . . 69 LYS QB . 15002 1 854 . 1 1 69 69 LYS HG2 H 1 1.526 0.003 . . . . . . 69 LYS HG2 . 15002 1 855 . 1 1 69 69 LYS HG3 H 1 1.465 0.003 . . . . . . 69 LYS HG3 . 15002 1 856 . 1 1 69 69 LYS HD2 H 1 1.707 0.004 . . . . . . 69 LYS QD . 15002 1 857 . 1 1 69 69 LYS HD3 H 1 1.707 0.004 . . . . . . 69 LYS QD . 15002 1 858 . 1 1 69 69 LYS HE2 H 1 3.057 0.002 . . . . . . 69 LYS HE2 . 15002 1 859 . 1 1 69 69 LYS HE3 H 1 2.994 0.002 . . . . . . 69 LYS HE3 . 15002 1 860 . 1 1 69 69 LYS C C 13 177.630 0.000 . . . . . . 69 LYS C . 15002 1 861 . 1 1 69 69 LYS CA C 13 54.452 0.053 . . . . . . 69 LYS CA . 15002 1 862 . 1 1 69 69 LYS CB C 13 32.836 0.071 . . . . . . 69 LYS CB . 15002 1 863 . 1 1 69 69 LYS CG C 13 24.977 0.087 . . . . . . 69 LYS CG . 15002 1 864 . 1 1 69 69 LYS CD C 13 28.574 0.066 . . . . . . 69 LYS CD . 15002 1 865 . 1 1 69 69 LYS CE C 13 41.948 0.059 . . . . . . 69 LYS CE . 15002 1 866 . 1 1 69 69 LYS N N 15 129.384 0.043 . . . . . . 69 LYS N . 15002 1 867 . 1 1 70 70 GLU H H 1 8.565 0.003 . . . . . . 70 GLU HN . 15002 1 868 . 1 1 70 70 GLU HA H 1 3.951 0.009 . . . . . . 70 GLU HA . 15002 1 869 . 1 1 70 70 GLU HB2 H 1 1.961 0.005 . . . . . . 70 GLU QB . 15002 1 870 . 1 1 70 70 GLU HB3 H 1 1.961 0.005 . . . . . . 70 GLU QB . 15002 1 871 . 1 1 70 70 GLU HG2 H 1 2.264 0.001 . . . . . . 70 GLU QG . 15002 1 872 . 1 1 70 70 GLU HG3 H 1 2.264 0.001 . . . . . . 70 GLU QG . 15002 1 873 . 1 1 70 70 GLU C C 13 177.729 0.000 . . . . . . 70 GLU C . 15002 1 874 . 1 1 70 70 GLU CA C 13 59.121 0.146 . . . . . . 70 GLU CA . 15002 1 875 . 1 1 70 70 GLU CB C 13 29.318 0.059 . . . . . . 70 GLU CB . 15002 1 876 . 1 1 70 70 GLU CG C 13 35.949 0.137 . . . . . . 70 GLU CG . 15002 1 877 . 1 1 70 70 GLU N N 15 121.481 0.025 . . . . . . 70 GLU N . 15002 1 878 . 1 1 71 71 GLY H H 1 8.698 0.004 . . . . . . 71 GLY HN . 15002 1 879 . 1 1 71 71 GLY HA2 H 1 4.307 0.007 . . . . . . 71 GLY HA1 . 15002 1 880 . 1 1 71 71 GLY HA3 H 1 3.884 0.005 . . . . . . 71 GLY HA2 . 15002 1 881 . 1 1 71 71 GLY C C 13 173.533 0.000 . . . . . . 71 GLY C . 15002 1 882 . 1 1 71 71 GLY CA C 13 45.098 0.044 . . . . . . 71 GLY CA . 15002 1 883 . 1 1 71 71 GLY N N 15 111.489 0.007 . . . . . . 71 GLY N . 15002 1 884 . 1 1 72 72 ASP H H 1 7.759 0.002 . . . . . . 72 ASP HN . 15002 1 885 . 1 1 72 72 ASP HA H 1 4.926 0.007 . . . . . . 72 ASP HA . 15002 1 886 . 1 1 72 72 ASP HB2 H 1 2.928 0.003 . . . . . . 72 ASP HB2 . 15002 1 887 . 1 1 72 72 ASP HB3 H 1 2.804 0.003 . . . . . . 72 ASP HB3 . 15002 1 888 . 1 1 72 72 ASP C C 13 177.094 0.000 . . . . . . 72 ASP C . 15002 1 889 . 1 1 72 72 ASP CA C 13 55.832 0.111 . . . . . . 72 ASP CA . 15002 1 890 . 1 1 72 72 ASP CB C 13 43.182 0.041 . . . . . . 72 ASP CB . 15002 1 891 . 1 1 72 72 ASP N N 15 119.733 0.009 . . . . . . 72 ASP N . 15002 1 892 . 1 1 73 73 ILE H H 1 8.242 0.003 . . . . . . 73 ILE HN . 15002 1 893 . 1 1 73 73 ILE HA H 1 4.055 0.006 . . . . . . 73 ILE HA . 15002 1 894 . 1 1 73 73 ILE HB H 1 1.543 0.003 . . . . . . 73 ILE HB . 15002 1 895 . 1 1 73 73 ILE HG12 H 1 1.551 0.009 . . . . . . 73 ILE HG12 . 15002 1 896 . 1 1 73 73 ILE HG13 H 1 1.242 0.008 . . . . . . 73 ILE HG13 . 15002 1 897 . 1 1 73 73 ILE HG21 H 1 0.790 0.001 . . . . . . 73 ILE QG2 . 15002 1 898 . 1 1 73 73 ILE HG22 H 1 0.790 0.001 . . . . . . 73 ILE QG2 . 15002 1 899 . 1 1 73 73 ILE HG23 H 1 0.790 0.001 . . . . . . 73 ILE QG2 . 15002 1 900 . 1 1 73 73 ILE HD11 H 1 0.884 0.009 . . . . . . 73 ILE QD1 . 15002 1 901 . 1 1 73 73 ILE HD12 H 1 0.884 0.009 . . . . . . 73 ILE QD1 . 15002 1 902 . 1 1 73 73 ILE HD13 H 1 0.884 0.009 . . . . . . 73 ILE QD1 . 15002 1 903 . 1 1 73 73 ILE C C 13 172.138 0.000 . . . . . . 73 ILE C . 15002 1 904 . 1 1 73 73 ILE CA C 13 56.706 0.159 . . . . . . 73 ILE CA . 15002 1 905 . 1 1 73 73 ILE CB C 13 40.566 0.062 . . . . . . 73 ILE CB . 15002 1 906 . 1 1 73 73 ILE CG1 C 13 28.514 0.042 . . . . . . 73 ILE CG1 . 15002 1 907 . 1 1 73 73 ILE CG2 C 13 17.397 0.079 . . . . . . 73 ILE CG2 . 15002 1 908 . 1 1 73 73 ILE CD1 C 13 14.625 0.101 . . . . . . 73 ILE CD1 . 15002 1 909 . 1 1 73 73 ILE N N 15 122.268 0.060 . . . . . . 73 ILE N . 15002 1 910 . 1 1 74 74 PRO HA H 1 3.098 0.004 . . . . . . 74 PRO HA . 15002 1 911 . 1 1 74 74 PRO HB2 H 1 1.222 0.011 . . . . . . 74 PRO QB . 15002 1 912 . 1 1 74 74 PRO HB3 H 1 1.222 0.011 . . . . . . 74 PRO QB . 15002 1 913 . 1 1 74 74 PRO HG2 H 1 1.533 0.012 . . . . . . 74 PRO HG2 . 15002 1 914 . 1 1 74 74 PRO HG3 H 1 0.894 0.006 . . . . . . 74 PRO HG3 . 15002 1 915 . 1 1 74 74 PRO HD2 H 1 2.402 0.008 . . . . . . 74 PRO HD2 . 15002 1 916 . 1 1 74 74 PRO HD3 H 1 1.393 0.006 . . . . . . 74 PRO HD3 . 15002 1 917 . 1 1 74 74 PRO C C 13 174.538 0.000 . . . . . . 74 PRO C . 15002 1 918 . 1 1 74 74 PRO CA C 13 61.745 0.120 . . . . . . 74 PRO CA . 15002 1 919 . 1 1 74 74 PRO CB C 13 31.802 0.049 . . . . . . 74 PRO CB . 15002 1 920 . 1 1 74 74 PRO CG C 13 26.325 0.014 . . . . . . 74 PRO CG . 15002 1 921 . 1 1 74 74 PRO CD C 13 47.890 0.063 . . . . . . 74 PRO CD . 15002 1 922 . 1 1 74 74 PRO N N 15 135.561 0.031 . . . . . . 74 PRO N . 15002 1 923 . 1 1 75 75 VAL H H 1 7.945 0.003 . . . . . . 75 VAL HN . 15002 1 924 . 1 1 75 75 VAL HA H 1 4.827 0.005 . . . . . . 75 VAL HA . 15002 1 925 . 1 1 75 75 VAL HB H 1 2.091 0.003 . . . . . . 75 VAL HB . 15002 1 926 . 1 1 75 75 VAL HG11 H 1 0.958 0.005 . . . . . . 75 VAL QG1 . 15002 1 927 . 1 1 75 75 VAL HG12 H 1 0.958 0.005 . . . . . . 75 VAL QG1 . 15002 1 928 . 1 1 75 75 VAL HG13 H 1 0.958 0.005 . . . . . . 75 VAL QG1 . 15002 1 929 . 1 1 75 75 VAL HG21 H 1 0.487 0.004 . . . . . . 75 VAL QG2 . 15002 1 930 . 1 1 75 75 VAL HG22 H 1 0.487 0.004 . . . . . . 75 VAL QG2 . 15002 1 931 . 1 1 75 75 VAL HG23 H 1 0.487 0.004 . . . . . . 75 VAL QG2 . 15002 1 932 . 1 1 75 75 VAL C C 13 173.974 0.000 . . . . . . 75 VAL C . 15002 1 933 . 1 1 75 75 VAL CA C 13 57.617 0.035 . . . . . . 75 VAL CA . 15002 1 934 . 1 1 75 75 VAL CB C 13 32.175 0.001 . . . . . . 75 VAL CB . 15002 1 935 . 1 1 75 75 VAL CG1 C 13 21.187 0.039 . . . . . . 75 VAL CG1 . 15002 1 936 . 1 1 75 75 VAL CG2 C 13 17.282 0.034 . . . . . . 75 VAL CG2 . 15002 1 937 . 1 1 75 75 VAL N N 15 112.375 0.083 . . . . . . 75 VAL N . 15002 1 938 . 1 1 76 76 PRO HA H 1 3.797 0.005 . . . . . . 76 PRO HA . 15002 1 939 . 1 1 76 76 PRO HB2 H 1 2.502 0.005 . . . . . . 76 PRO HB2 . 15002 1 940 . 1 1 76 76 PRO HB3 H 1 2.226 0.006 . . . . . . 76 PRO HB3 . 15002 1 941 . 1 1 76 76 PRO HG2 H 1 2.338 0.003 . . . . . . 76 PRO HG2 . 15002 1 942 . 1 1 76 76 PRO HG3 H 1 2.233 0.005 . . . . . . 76 PRO HG3 . 15002 1 943 . 1 1 76 76 PRO HD2 H 1 3.915 0.003 . . . . . . 76 PRO HD2 . 15002 1 944 . 1 1 76 76 PRO HD3 H 1 3.708 0.006 . . . . . . 76 PRO HD3 . 15002 1 945 . 1 1 76 76 PRO C C 13 178.400 0.000 . . . . . . 76 PRO C . 15002 1 946 . 1 1 76 76 PRO CA C 13 67.132 0.081 . . . . . . 76 PRO CA . 15002 1 947 . 1 1 76 76 PRO CB C 13 30.922 0.068 . . . . . . 76 PRO CB . 15002 1 948 . 1 1 76 76 PRO CG C 13 28.009 0.073 . . . . . . 76 PRO CG . 15002 1 949 . 1 1 76 76 PRO CD C 13 50.642 0.042 . . . . . . 76 PRO CD . 15002 1 950 . 1 1 76 76 PRO N N 15 136.387 0.007 . . . . . . 76 PRO N . 15002 1 951 . 1 1 77 77 ASP H H 1 8.277 0.002 . . . . . . 77 ASP HN . 15002 1 952 . 1 1 77 77 ASP HA H 1 5.038 0.007 . . . . . . 77 ASP HA . 15002 1 953 . 1 1 77 77 ASP HB2 H 1 2.899 0.004 . . . . . . 77 ASP HB2 . 15002 1 954 . 1 1 77 77 ASP HB3 H 1 2.503 0.003 . . . . . . 77 ASP HB3 . 15002 1 955 . 1 1 77 77 ASP C C 13 174.214 0.000 . . . . . . 77 ASP C . 15002 1 956 . 1 1 77 77 ASP CA C 13 51.253 0.057 . . . . . . 77 ASP CA . 15002 1 957 . 1 1 77 77 ASP CB C 13 41.692 0.103 . . . . . . 77 ASP CB . 15002 1 958 . 1 1 77 77 ASP N N 15 109.940 0.045 . . . . . . 77 ASP N . 15002 1 959 . 1 1 78 78 PRO HA H 1 4.794 0.009 . . . . . . 78 PRO HA . 15002 1 960 . 1 1 78 78 PRO HB2 H 1 2.003 0.002 . . . . . . 78 PRO HB2 . 15002 1 961 . 1 1 78 78 PRO HB3 H 1 1.903 0.004 . . . . . . 78 PRO HB3 . 15002 1 962 . 1 1 78 78 PRO HG2 H 1 1.719 0.010 . . . . . . 78 PRO HG2 . 15002 1 963 . 1 1 78 78 PRO HG3 H 1 1.496 0.008 . . . . . . 78 PRO HG3 . 15002 1 964 . 1 1 78 78 PRO HD2 H 1 3.955 0.003 . . . . . . 78 PRO HD2 . 15002 1 965 . 1 1 78 78 PRO HD3 H 1 3.401 0.004 . . . . . . 78 PRO HD3 . 15002 1 966 . 1 1 78 78 PRO C C 13 176.583 0.000 . . . . . . 78 PRO C . 15002 1 967 . 1 1 78 78 PRO CA C 13 64.378 0.102 . . . . . . 78 PRO CA . 15002 1 968 . 1 1 78 78 PRO CB C 13 31.568 0.102 . . . . . . 78 PRO CB . 15002 1 969 . 1 1 78 78 PRO CG C 13 26.617 0.046 . . . . . . 78 PRO CG . 15002 1 970 . 1 1 78 78 PRO CD C 13 51.954 0.056 . . . . . . 78 PRO CD . 15002 1 971 . 1 1 78 78 PRO N N 15 138.149 0.007 . . . . . . 78 PRO N . 15002 1 972 . 1 1 79 79 THR H H 1 8.324 0.002 . . . . . . 79 THR HN . 15002 1 973 . 1 1 79 79 THR HA H 1 4.212 0.005 . . . . . . 79 THR HA . 15002 1 974 . 1 1 79 79 THR HB H 1 4.210 0.005 . . . . . . 79 THR HB . 15002 1 975 . 1 1 79 79 THR HG21 H 1 1.293 0.008 . . . . . . 79 THR QG2 . 15002 1 976 . 1 1 79 79 THR HG22 H 1 1.293 0.008 . . . . . . 79 THR QG2 . 15002 1 977 . 1 1 79 79 THR HG23 H 1 1.293 0.008 . . . . . . 79 THR QG2 . 15002 1 978 . 1 1 79 79 THR C C 13 175.082 0.000 . . . . . . 79 THR C . 15002 1 979 . 1 1 79 79 THR CA C 13 64.705 0.090 . . . . . . 79 THR CA . 15002 1 980 . 1 1 79 79 THR CB C 13 69.040 0.016 . . . . . . 79 THR CB . 15002 1 981 . 1 1 79 79 THR CG2 C 13 22.022 0.039 . . . . . . 79 THR CG2 . 15002 1 982 . 1 1 79 79 THR N N 15 112.287 0.074 . . . . . . 79 THR N . 15002 1 983 . 1 1 80 80 VAL H H 1 7.562 0.001 . . . . . . 80 VAL HN . 15002 1 984 . 1 1 80 80 VAL HA H 1 4.227 0.003 . . . . . . 80 VAL HA . 15002 1 985 . 1 1 80 80 VAL HB H 1 2.029 0.005 . . . . . . 80 VAL HB . 15002 1 986 . 1 1 80 80 VAL HG11 H 1 0.883 0.007 . . . . . . 80 VAL QG1 . 15002 1 987 . 1 1 80 80 VAL HG12 H 1 0.883 0.007 . . . . . . 80 VAL QG1 . 15002 1 988 . 1 1 80 80 VAL HG13 H 1 0.883 0.007 . . . . . . 80 VAL QG1 . 15002 1 989 . 1 1 80 80 VAL HG21 H 1 0.847 0.001 . . . . . . 80 VAL QG2 . 15002 1 990 . 1 1 80 80 VAL HG22 H 1 0.847 0.001 . . . . . . 80 VAL QG2 . 15002 1 991 . 1 1 80 80 VAL HG23 H 1 0.847 0.001 . . . . . . 80 VAL QG2 . 15002 1 992 . 1 1 80 80 VAL C C 13 175.064 0.000 . . . . . . 80 VAL C . 15002 1 993 . 1 1 80 80 VAL CA C 13 62.767 0.071 . . . . . . 80 VAL CA . 15002 1 994 . 1 1 80 80 VAL CB C 13 34.438 0.115 . . . . . . 80 VAL CB . 15002 1 995 . 1 1 80 80 VAL CG1 C 13 21.420 0.050 . . . . . . 80 VAL CG1 . 15002 1 996 . 1 1 80 80 VAL CG2 C 13 20.024 0.009 . . . . . . 80 VAL CG2 . 15002 1 997 . 1 1 80 80 VAL N N 15 117.497 0.058 . . . . . . 80 VAL N . 15002 1 998 . 1 1 81 81 ASP H H 1 8.623 0.003 . . . . . . 81 ASP HN . 15002 1 999 . 1 1 81 81 ASP HA H 1 4.649 0.004 . . . . . . 81 ASP HA . 15002 1 1000 . 1 1 81 81 ASP HB2 H 1 2.539 0.008 . . . . . . 81 ASP HB2 . 15002 1 1001 . 1 1 81 81 ASP HB3 H 1 2.217 0.004 . . . . . . 81 ASP HB3 . 15002 1 1002 . 1 1 81 81 ASP C C 13 174.601 0.000 . . . . . . 81 ASP C . 15002 1 1003 . 1 1 81 81 ASP CA C 13 54.280 0.039 . . . . . . 81 ASP CA . 15002 1 1004 . 1 1 81 81 ASP CB C 13 42.538 0.080 . . . . . . 81 ASP CB . 15002 1 1005 . 1 1 81 81 ASP N N 15 123.314 0.020 . . . . . . 81 ASP N . 15002 1 1006 . 1 1 82 82 LYS H H 1 8.115 0.005 . . . . . . 82 LYS HN . 15002 1 1007 . 1 1 82 82 LYS HA H 1 4.115 0.004 . . . . . . 82 LYS HA . 15002 1 1008 . 1 1 82 82 LYS HB2 H 1 1.729 0.002 . . . . . . 82 LYS QB . 15002 1 1009 . 1 1 82 82 LYS HB3 H 1 1.729 0.002 . . . . . . 82 LYS QB . 15002 1 1010 . 1 1 82 82 LYS HG2 H 1 1.465 0.003 . . . . . . 82 LYS HG2 . 15002 1 1011 . 1 1 82 82 LYS HG3 H 1 1.411 0.005 . . . . . . 82 LYS HG3 . 15002 1 1012 . 1 1 82 82 LYS HD2 H 1 1.677 0.007 . . . . . . 82 LYS QD . 15002 1 1013 . 1 1 82 82 LYS HD3 H 1 1.677 0.007 . . . . . . 82 LYS QD . 15002 1 1014 . 1 1 82 82 LYS HE2 H 1 2.996 0.005 . . . . . . 82 LYS QE . 15002 1 1015 . 1 1 82 82 LYS HE3 H 1 2.996 0.005 . . . . . . 82 LYS QE . 15002 1 1016 . 1 1 82 82 LYS C C 13 176.606 0.000 . . . . . . 82 LYS C . 15002 1 1017 . 1 1 82 82 LYS CA C 13 55.871 0.102 . . . . . . 82 LYS CA . 15002 1 1018 . 1 1 82 82 LYS CB C 13 32.493 0.134 . . . . . . 82 LYS CB . 15002 1 1019 . 1 1 82 82 LYS CG C 13 24.710 0.094 . . . . . . 82 LYS CG . 15002 1 1020 . 1 1 82 82 LYS CD C 13 29.024 0.043 . . . . . . 82 LYS CD . 15002 1 1021 . 1 1 82 82 LYS CE C 13 42.070 0.082 . . . . . . 82 LYS CE . 15002 1 1022 . 1 1 82 82 LYS N N 15 121.621 0.038 . . . . . . 82 LYS N . 15002 1 1023 . 1 1 83 83 GLN H H 1 8.553 0.003 . . . . . . 83 GLN HN . 15002 1 1024 . 1 1 83 83 GLN HA H 1 3.877 0.010 . . . . . . 83 GLN HA . 15002 1 1025 . 1 1 83 83 GLN HB2 H 1 2.171 0.021 . . . . . . 83 GLN HB2 . 15002 1 1026 . 1 1 83 83 GLN HB3 H 1 2.000 0.007 . . . . . . 83 GLN HB3 . 15002 1 1027 . 1 1 83 83 GLN HG2 H 1 2.466 0.002 . . . . . . 83 GLN HG2 . 15002 1 1028 . 1 1 83 83 GLN HG3 H 1 2.121 0.002 . . . . . . 83 GLN HG3 . 15002 1 1029 . 1 1 83 83 GLN HE21 H 1 7.702 0.000 . . . . . . 83 GLN HE21 . 15002 1 1030 . 1 1 83 83 GLN HE22 H 1 6.675 0.000 . . . . . . 83 GLN HE22 . 15002 1 1031 . 1 1 83 83 GLN C C 13 175.500 0.000 . . . . . . 83 GLN C . 15002 1 1032 . 1 1 83 83 GLN CA C 13 56.645 0.078 . . . . . . 83 GLN CA . 15002 1 1033 . 1 1 83 83 GLN CB C 13 29.665 0.037 . . . . . . 83 GLN CB . 15002 1 1034 . 1 1 83 83 GLN CG C 13 33.935 0.081 . . . . . . 83 GLN CG . 15002 1 1035 . 1 1 83 83 GLN N N 15 123.021 0.015 . . . . . . 83 GLN N . 15002 1 1036 . 1 1 83 83 GLN NE2 N 15 114.512 0.008 . . . . . . 83 GLN NE2 . 15002 1 1037 . 1 1 84 84 ILE H H 1 6.945 0.003 . . . . . . 84 ILE HN . 15002 1 1038 . 1 1 84 84 ILE HA H 1 4.293 0.007 . . . . . . 84 ILE HA . 15002 1 1039 . 1 1 84 84 ILE HB H 1 1.622 0.004 . . . . . . 84 ILE HB . 15002 1 1040 . 1 1 84 84 ILE HG12 H 1 1.554 0.002 . . . . . . 84 ILE HG12 . 15002 1 1041 . 1 1 84 84 ILE HG13 H 1 1.087 0.009 . . . . . . 84 ILE HG13 . 15002 1 1042 . 1 1 84 84 ILE HG21 H 1 0.891 0.005 . . . . . . 84 ILE QG2 . 15002 1 1043 . 1 1 84 84 ILE HG22 H 1 0.891 0.005 . . . . . . 84 ILE QG2 . 15002 1 1044 . 1 1 84 84 ILE HG23 H 1 0.891 0.005 . . . . . . 84 ILE QG2 . 15002 1 1045 . 1 1 84 84 ILE HD11 H 1 0.833 0.008 . . . . . . 84 ILE QD1 . 15002 1 1046 . 1 1 84 84 ILE HD12 H 1 0.833 0.008 . . . . . . 84 ILE QD1 . 15002 1 1047 . 1 1 84 84 ILE HD13 H 1 0.833 0.008 . . . . . . 84 ILE QD1 . 15002 1 1048 . 1 1 84 84 ILE C C 13 174.949 0.000 . . . . . . 84 ILE C . 15002 1 1049 . 1 1 84 84 ILE CA C 13 60.810 0.090 . . . . . . 84 ILE CA . 15002 1 1050 . 1 1 84 84 ILE CB C 13 39.372 0.100 . . . . . . 84 ILE CB . 15002 1 1051 . 1 1 84 84 ILE CG1 C 13 26.889 0.138 . . . . . . 84 ILE CG1 . 15002 1 1052 . 1 1 84 84 ILE CG2 C 13 17.884 0.130 . . . . . . 84 ILE CG2 . 15002 1 1053 . 1 1 84 84 ILE CD1 C 13 13.252 0.032 . . . . . . 84 ILE CD1 . 15002 1 1054 . 1 1 84 84 ILE N N 15 126.793 0.022 . . . . . . 84 ILE N . 15002 1 1055 . 1 1 85 85 LYS H H 1 8.361 0.004 . . . . . . 85 LYS HN . 15002 1 1056 . 1 1 85 85 LYS HA H 1 5.049 0.010 . . . . . . 85 LYS HA . 15002 1 1057 . 1 1 85 85 LYS HB2 H 1 1.898 0.009 . . . . . . 85 LYS HB2 . 15002 1 1058 . 1 1 85 85 LYS HB3 H 1 1.635 0.013 . . . . . . 85 LYS HB3 . 15002 1 1059 . 1 1 85 85 LYS HG2 H 1 1.520 0.003 . . . . . . 85 LYS HG2 . 15002 1 1060 . 1 1 85 85 LYS HG3 H 1 1.256 0.003 . . . . . . 85 LYS HG3 . 15002 1 1061 . 1 1 85 85 LYS HD2 H 1 1.657 0.007 . . . . . . 85 LYS QD . 15002 1 1062 . 1 1 85 85 LYS HD3 H 1 1.657 0.007 . . . . . . 85 LYS QD . 15002 1 1063 . 1 1 85 85 LYS HE2 H 1 2.991 0.003 . . . . . . 85 LYS HE2 . 15002 1 1064 . 1 1 85 85 LYS HE3 H 1 2.891 0.003 . . . . . . 85 LYS HE3 . 15002 1 1065 . 1 1 85 85 LYS C C 13 175.980 0.000 . . . . . . 85 LYS C . 15002 1 1066 . 1 1 85 85 LYS CA C 13 55.099 0.108 . . . . . . 85 LYS CA . 15002 1 1067 . 1 1 85 85 LYS CB C 13 35.530 0.058 . . . . . . 85 LYS CB . 15002 1 1068 . 1 1 85 85 LYS CG C 13 24.109 0.067 . . . . . . 85 LYS CG . 15002 1 1069 . 1 1 85 85 LYS CD C 13 29.268 0.058 . . . . . . 85 LYS CD . 15002 1 1070 . 1 1 85 85 LYS CE C 13 41.896 0.102 . . . . . . 85 LYS CE . 15002 1 1071 . 1 1 85 85 LYS N N 15 125.305 0.027 . . . . . . 85 LYS N . 15002 1 1072 . 1 1 86 86 ILE H H 1 8.541 0.002 . . . . . . 86 ILE HN . 15002 1 1073 . 1 1 86 86 ILE HA H 1 4.498 0.005 . . . . . . 86 ILE HA . 15002 1 1074 . 1 1 86 86 ILE HB H 1 1.920 0.006 . . . . . . 86 ILE HB . 15002 1 1075 . 1 1 86 86 ILE HG12 H 1 1.405 0.002 . . . . . . 86 ILE HG12 . 15002 1 1076 . 1 1 86 86 ILE HG13 H 1 1.216 0.003 . . . . . . 86 ILE HG13 . 15002 1 1077 . 1 1 86 86 ILE HG21 H 1 0.924 0.007 . . . . . . 86 ILE QG2 . 15002 1 1078 . 1 1 86 86 ILE HG22 H 1 0.924 0.007 . . . . . . 86 ILE QG2 . 15002 1 1079 . 1 1 86 86 ILE HG23 H 1 0.924 0.007 . . . . . . 86 ILE QG2 . 15002 1 1080 . 1 1 86 86 ILE HD11 H 1 0.849 0.002 . . . . . . 86 ILE QD1 . 15002 1 1081 . 1 1 86 86 ILE HD12 H 1 0.849 0.002 . . . . . . 86 ILE QD1 . 15002 1 1082 . 1 1 86 86 ILE HD13 H 1 0.849 0.002 . . . . . . 86 ILE QD1 . 15002 1 1083 . 1 1 86 86 ILE C C 13 175.129 0.000 . . . . . . 86 ILE C . 15002 1 1084 . 1 1 86 86 ILE CA C 13 59.704 0.062 . . . . . . 86 ILE CA . 15002 1 1085 . 1 1 86 86 ILE CB C 13 40.193 0.102 . . . . . . 86 ILE CB . 15002 1 1086 . 1 1 86 86 ILE CG1 C 13 26.328 0.029 . . . . . . 86 ILE CG1 . 15002 1 1087 . 1 1 86 86 ILE CG2 C 13 17.945 0.108 . . . . . . 86 ILE CG2 . 15002 1 1088 . 1 1 86 86 ILE CD1 C 13 14.169 0.071 . . . . . . 86 ILE CD1 . 15002 1 1089 . 1 1 86 86 ILE N N 15 119.361 0.016 . . . . . . 86 ILE N . 15002 1 1090 . 1 1 87 87 GLU H H 1 8.377 0.003 . . . . . . 87 GLU HN . 15002 1 1091 . 1 1 87 87 GLU HA H 1 4.312 0.005 . . . . . . 87 GLU HA . 15002 1 1092 . 1 1 87 87 GLU HB2 H 1 1.966 0.002 . . . . . . 87 GLU HB2 . 15002 1 1093 . 1 1 87 87 GLU HB3 H 1 1.902 0.002 . . . . . . 87 GLU HB3 . 15002 1 1094 . 1 1 87 87 GLU HG2 H 1 2.257 0.004 . . . . . . 87 GLU HG2 . 15002 1 1095 . 1 1 87 87 GLU HG3 H 1 2.195 0.002 . . . . . . 87 GLU HG3 . 15002 1 1096 . 1 1 87 87 GLU C C 13 175.705 0.000 . . . . . . 87 GLU C . 15002 1 1097 . 1 1 87 87 GLU CA C 13 55.948 0.042 . . . . . . 87 GLU CA . 15002 1 1098 . 1 1 87 87 GLU CB C 13 30.181 0.015 . . . . . . 87 GLU CB . 15002 1 1099 . 1 1 87 87 GLU CG C 13 36.511 0.071 . . . . . . 87 GLU CG . 15002 1 1100 . 1 1 87 87 GLU N N 15 123.997 0.025 . . . . . . 87 GLU N . 15002 1 1101 . 1 1 88 88 LEU H H 1 8.448 0.004 . . . . . . 88 LEU HN . 15002 1 1102 . 1 1 88 88 LEU HA H 1 4.651 0.004 . . . . . . 88 LEU HA . 15002 1 1103 . 1 1 88 88 LEU HB2 H 1 1.633 0.003 . . . . . . 88 LEU HB2 . 15002 1 1104 . 1 1 88 88 LEU HB3 H 1 1.520 0.001 . . . . . . 88 LEU HB3 . 15002 1 1105 . 1 1 88 88 LEU HG H 1 1.704 0.003 . . . . . . 88 LEU HG . 15002 1 1106 . 1 1 88 88 LEU HD11 H 1 0.910 0.007 . . . . . . 88 LEU QD1 . 15002 1 1107 . 1 1 88 88 LEU HD12 H 1 0.910 0.007 . . . . . . 88 LEU QD1 . 15002 1 1108 . 1 1 88 88 LEU HD13 H 1 0.910 0.007 . . . . . . 88 LEU QD1 . 15002 1 1109 . 1 1 88 88 LEU HD21 H 1 0.889 0.004 . . . . . . 88 LEU QD2 . 15002 1 1110 . 1 1 88 88 LEU HD22 H 1 0.889 0.004 . . . . . . 88 LEU QD2 . 15002 1 1111 . 1 1 88 88 LEU HD23 H 1 0.889 0.004 . . . . . . 88 LEU QD2 . 15002 1 1112 . 1 1 88 88 LEU C C 13 174.492 0.000 . . . . . . 88 LEU C . 15002 1 1113 . 1 1 88 88 LEU CA C 13 52.529 0.070 . . . . . . 88 LEU CA . 15002 1 1114 . 1 1 88 88 LEU CB C 13 41.319 0.070 . . . . . . 88 LEU CB . 15002 1 1115 . 1 1 88 88 LEU CG C 13 27.117 0.040 . . . . . . 88 LEU CG . 15002 1 1116 . 1 1 88 88 LEU CD1 C 13 25.489 0.001 . . . . . . 88 LEU CD1 . 15002 1 1117 . 1 1 88 88 LEU CD2 C 13 23.597 0.055 . . . . . . 88 LEU CD2 . 15002 1 1118 . 1 1 88 88 LEU N N 15 126.209 0.036 . . . . . . 88 LEU N . 15002 1 1119 . 1 1 89 89 PRO HA H 1 4.740 0.010 . . . . . . 89 PRO HA . 15002 1 1120 . 1 1 89 89 PRO HB2 H 1 2.391 0.003 . . . . . . 89 PRO HB2 . 15002 1 1121 . 1 1 89 89 PRO HB3 H 1 1.959 0.002 . . . . . . 89 PRO HB3 . 15002 1 1122 . 1 1 89 89 PRO HG2 H 1 2.087 0.005 . . . . . . 89 PRO QG . 15002 1 1123 . 1 1 89 89 PRO HG3 H 1 2.087 0.005 . . . . . . 89 PRO QG . 15002 1 1124 . 1 1 89 89 PRO HD2 H 1 3.831 0.007 . . . . . . 89 PRO HD2 . 15002 1 1125 . 1 1 89 89 PRO HD3 H 1 3.620 0.002 . . . . . . 89 PRO HD3 . 15002 1 1126 . 1 1 89 89 PRO CA C 13 61.398 0.082 . . . . . . 89 PRO CA . 15002 1 1127 . 1 1 89 89 PRO CB C 13 30.961 0.093 . . . . . . 89 PRO CB . 15002 1 1128 . 1 1 89 89 PRO CG C 13 27.411 0.018 . . . . . . 89 PRO CG . 15002 1 1129 . 1 1 89 89 PRO CD C 13 50.394 0.058 . . . . . . 89 PRO CD . 15002 1 1130 . 1 1 89 89 PRO N N 15 137.843 0.053 . . . . . . 89 PRO N . 15002 1 1131 . 1 1 90 90 PRO HA H 1 4.422 0.005 . . . . . . 90 PRO HA . 15002 1 1132 . 1 1 90 90 PRO HB2 H 1 2.298 0.006 . . . . . . 90 PRO HB2 . 15002 1 1133 . 1 1 90 90 PRO HB3 H 1 1.971 0.008 . . . . . . 90 PRO HB3 . 15002 1 1134 . 1 1 90 90 PRO HG2 H 1 2.047 0.006 . . . . . . 90 PRO QG . 15002 1 1135 . 1 1 90 90 PRO HG3 H 1 2.047 0.006 . . . . . . 90 PRO QG . 15002 1 1136 . 1 1 90 90 PRO HD2 H 1 3.831 0.011 . . . . . . 90 PRO HD2 . 15002 1 1137 . 1 1 90 90 PRO HD3 H 1 3.684 0.005 . . . . . . 90 PRO HD3 . 15002 1 1138 . 1 1 90 90 PRO C C 13 176.004 0.000 . . . . . . 90 PRO C . 15002 1 1139 . 1 1 90 90 PRO CA C 13 63.303 0.091 . . . . . . 90 PRO CA . 15002 1 1140 . 1 1 90 90 PRO CB C 13 32.036 0.059 . . . . . . 90 PRO CB . 15002 1 1141 . 1 1 90 90 PRO CG C 13 27.351 0.054 . . . . . . 90 PRO CG . 15002 1 1142 . 1 1 90 90 PRO CD C 13 50.330 0.051 . . . . . . 90 PRO CD . 15002 1 1143 . 1 1 90 90 PRO N N 15 136.132 0.001 . . . . . . 90 PRO N . 15002 1 1144 . 1 1 91 91 LYS H H 1 7.845 0.005 . . . . . . 91 LYS HN . 15002 1 1145 . 1 1 91 91 LYS HA H 1 4.107 0.007 . . . . . . 91 LYS HA . 15002 1 1146 . 1 1 91 91 LYS CA C 13 57.852 0.012 . . . . . . 91 LYS CA . 15002 1 1147 . 1 1 91 91 LYS CB C 13 33.830 0.000 . . . . . . 91 LYS CB . 15002 1 1148 . 1 1 91 91 LYS N N 15 125.895 0.050 . . . . . . 91 LYS N . 15002 1 stop_ save_