################################### # 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 17125 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.02 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 3 '2D 1H-15N HSQC' . . . 17125 1 5 '3D HNCO' . . . 17125 1 6 '3D HNCA' . . . 17125 1 8 '3D HNCACB' . . . 17125 1 9 '3D HCCH-TOCSY' . . . 17125 1 12 '3D 1H-15N NOESY' . . . 17125 1 13 '3D 1H-13C NOESY' . . . 17125 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 4 $SPARKY . . 17125 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 THR H H 1 10.000 0.010 . 1 . . . . 1 T HN . 17125 1 2 . 1 1 1 1 THR HA H 1 4.453 0.003 . 1 . . . . 1 T HA . 17125 1 3 . 1 1 1 1 THR HB H 1 4.376 0.044 . 1 . . . . 1 T HB . 17125 1 4 . 1 1 1 1 THR HG21 H 1 1.256 0.014 . . . . . . 1 T HG2# . 17125 1 5 . 1 1 1 1 THR HG22 H 1 1.256 0.014 . . . . . . 1 T HG2# . 17125 1 6 . 1 1 1 1 THR HG23 H 1 1.256 0.014 . . . . . . 1 T HG2# . 17125 1 7 . 1 1 1 1 THR C C 13 170.249 0.010 . 1 . . . . 1 T C . 17125 1 8 . 1 1 1 1 THR CA C 13 62.819 0.010 . 1 . . . . 1 T CA . 17125 1 9 . 1 1 1 1 THR CB C 13 69.560 0.037 . 1 . . . . 1 T CB . 17125 1 10 . 1 1 1 1 THR N N 15 123.959 0.141 . 1 . . . . 1 T N . 17125 1 11 . 1 1 2 2 ALA H H 1 9.027 0.061 . 1 . . . . 2 A HN . 17125 1 12 . 1 1 2 2 ALA HA H 1 6.170 0.032 . 1 . . . . 2 A HA . 17125 1 13 . 1 1 2 2 ALA HB1 H 1 1.599 0.018 . . . . . . 2 A HB# . 17125 1 14 . 1 1 2 2 ALA HB2 H 1 1.599 0.018 . . . . . . 2 A HB# . 17125 1 15 . 1 1 2 2 ALA HB3 H 1 1.599 0.018 . . . . . . 2 A HB# . 17125 1 16 . 1 1 2 2 ALA C C 13 176.779 0.010 . 1 . . . . 2 A C . 17125 1 17 . 1 1 2 2 ALA CA C 13 49.542 0.131 . 1 . . . . 2 A CA . 17125 1 18 . 1 1 2 2 ALA CB C 13 22.127 0.139 . 1 . . . . 2 A CB . 17125 1 19 . 1 1 2 2 ALA N N 15 132.514 0.092 . 1 . . . . 2 A N . 17125 1 20 . 1 1 3 3 PHE H H 1 8.797 0.042 . 1 . . . . 3 F HN . 17125 1 21 . 1 1 3 3 PHE HA H 1 6.077 0.019 . 1 . . . . 3 F HA . 17125 1 22 . 1 1 3 3 PHE HB2 H 1 3.576 0.009 . . . . . . 3 F HB1 . 17125 1 23 . 1 1 3 3 PHE HB3 H 1 3.339 0.008 . 2 . . . . 3 F HB2 . 17125 1 24 . 1 1 3 3 PHE HD1 H 1 6.835 0.029 . . . . . . 3 F HD# . 17125 1 25 . 1 1 3 3 PHE HD2 H 1 6.835 0.029 . . . . . . 3 F HD# . 17125 1 26 . 1 1 3 3 PHE HE1 H 1 7.143 0.020 . . . . . . 3 F HE# . 17125 1 27 . 1 1 3 3 PHE HE2 H 1 7.143 0.020 . . . . . . 3 F HE# . 17125 1 28 . 1 1 3 3 PHE HZ H 1 7.585 0.010 . 1 . . . . 3 F Hz . 17125 1 29 . 1 1 3 3 PHE C C 13 174.166 0.010 . 1 . . . . 3 F C . 17125 1 30 . 1 1 3 3 PHE CA C 13 52.890 0.147 . 1 . . . . 3 F CA . 17125 1 31 . 1 1 3 3 PHE CB C 13 40.485 0.102 . 1 . . . . 3 F CB . 17125 1 32 . 1 1 3 3 PHE CD1 C 13 129.198 0.010 . . . . . . 3 F CD# . 17125 1 33 . 1 1 3 3 PHE CD2 C 13 129.198 0.010 . . . . . . 3 F CD# . 17125 1 34 . 1 1 3 3 PHE CE1 C 13 129.856 0.007 . . . . . . 3 F CE# . 17125 1 35 . 1 1 3 3 PHE CE2 C 13 129.856 0.007 . . . . . . 3 F CE# . 17125 1 36 . 1 1 3 3 PHE N N 15 120.254 0.210 . 1 . . . . 3 F N . 17125 1 37 . 1 1 4 4 LEU H H 1 8.834 0.024 . 1 . . . . 4 L HN . 17125 1 38 . 1 1 4 4 LEU HA H 1 6.091 0.011 . 1 . . . . 4 L HA . 17125 1 39 . 1 1 4 4 LEU HB2 H 1 1.963 0.017 . . . . . . 4 L HB1 . 17125 1 40 . 1 1 4 4 LEU HB3 H 1 1.320 0.014 . 2 . . . . 4 L HB2 . 17125 1 41 . 1 1 4 4 LEU HD11 H 1 1.075 0.020 . . . . . . 4 L HD1# . 17125 1 42 . 1 1 4 4 LEU HD12 H 1 1.075 0.020 . . . . . . 4 L HD1# . 17125 1 43 . 1 1 4 4 LEU HD13 H 1 1.075 0.020 . . . . . . 4 L HD1# . 17125 1 44 . 1 1 4 4 LEU HD21 H 1 0.684 0.008 . . . . . . 4 L HD2# . 17125 1 45 . 1 1 4 4 LEU HD22 H 1 0.684 0.008 . . . . . . 4 L HD2# . 17125 1 46 . 1 1 4 4 LEU HD23 H 1 0.684 0.008 . . . . . . 4 L HD2# . 17125 1 47 . 1 1 4 4 LEU C C 13 174.952 0.010 . 1 . . . . 4 L C . 17125 1 48 . 1 1 4 4 LEU CA C 13 53.468 0.079 . 1 . . . . 4 L CA . 17125 1 49 . 1 1 4 4 LEU CB C 13 46.630 0.107 . 1 . . . . 4 L CB . 17125 1 50 . 1 1 4 4 LEU CD1 C 13 25.504 0.036 . 2 . . . . 4 L CD1 . 17125 1 51 . 1 1 4 4 LEU N N 15 124.851 0.037 . 1 . . . . 4 L N . 17125 1 52 . 1 1 5 5 TRP H H 1 8.952 0.019 . 1 . . . . 5 W HN . 17125 1 53 . 1 1 5 5 TRP HA H 1 5.309 0.039 . 1 . . . . 5 W HA . 17125 1 54 . 1 1 5 5 TRP HB2 H 1 3.659 0.024 . . . . . . 5 W HB# . 17125 1 55 . 1 1 5 5 TRP HB3 H 1 3.659 0.024 . . . . . . 5 W HB# . 17125 1 56 . 1 1 5 5 TRP HD1 H 1 7.491 0.008 . 1 . . . . 5 W HD1 . 17125 1 57 . 1 1 5 5 TRP HE1 H 1 11.155 0.004 . 1 . . . . 5 W HE1 . 17125 1 58 . 1 1 5 5 TRP HE3 H 1 7.209 0.033 . 1 . . . . 5 W HE3 . 17125 1 59 . 1 1 5 5 TRP HZ2 H 1 7.462 0.009 . 1 . . . . 5 W Hz2 . 17125 1 60 . 1 1 5 5 TRP HZ3 H 1 6.714 0.010 . 1 . . . . 5 W Hz3 . 17125 1 61 . 1 1 5 5 TRP CA C 13 57.511 0.114 . 1 . . . . 5 W CA . 17125 1 62 . 1 1 5 5 TRP CB C 13 32.916 0.178 . 1 . . . . 5 W CB . 17125 1 63 . 1 1 5 5 TRP N N 15 126.082 0.068 . 1 . . . . 5 W N . 17125 1 64 . 1 1 6 6 ALA H H 1 8.371 0.025 . 1 . . . . 6 A HN . 17125 1 65 . 1 1 6 6 ALA HA H 1 5.655 0.025 . 1 . . . . 6 A HA . 17125 1 66 . 1 1 6 6 ALA HB1 H 1 1.650 0.025 . . . . . . 6 A HB# . 17125 1 67 . 1 1 6 6 ALA HB2 H 1 1.650 0.025 . . . . . . 6 A HB# . 17125 1 68 . 1 1 6 6 ALA HB3 H 1 1.650 0.025 . . . . . . 6 A HB# . 17125 1 69 . 1 1 6 6 ALA C C 13 176.238 0.010 . 1 . . . . 6 A C . 17125 1 70 . 1 1 6 6 ALA CA C 13 49.135 0.018 . 1 . . . . 6 A CA . 17125 1 71 . 1 1 6 6 ALA CB C 13 22.789 0.007 . 1 . . . . 6 A CB . 17125 1 72 . 1 1 6 6 ALA N N 15 121.923 0.066 . 1 . . . . 6 A N . 17125 1 73 . 1 1 7 7 GLN H H 1 9.169 0.014 . 1 . . . . 7 Q HN . 17125 1 74 . 1 1 7 7 GLN HA H 1 6.387 0.021 . 1 . . . . 7 Q HA . 17125 1 75 . 1 1 7 7 GLN HB2 H 1 2.454 0.021 . . . . . . 7 Q HB# . 17125 1 76 . 1 1 7 7 GLN HB3 H 1 2.454 0.021 . . . . . . 7 Q HB# . 17125 1 77 . 1 1 7 7 GLN HE21 H 1 6.849 0.010 . 2 . . . . 7 Q HE21 . 17125 1 78 . 1 1 7 7 GLN HE22 H 1 7.750 0.010 . 2 . . . . 7 Q HE22 . 17125 1 79 . 1 1 7 7 GLN HG2 H 1 2.023 0.007 . . . . . . 7 Q HG1 . 17125 1 80 . 1 1 7 7 GLN HG3 H 1 2.231 0.015 . 2 . . . . 7 Q HG2 . 17125 1 81 . 1 1 7 7 GLN CA C 13 52.309 0.073 . 1 . . . . 7 Q CA . 17125 1 82 . 1 1 7 7 GLN CB C 13 35.136 0.087 . 1 . . . . 7 Q CB . 17125 1 83 . 1 1 7 7 GLN N N 15 115.934 0.131 . 1 . . . . 7 Q N . 17125 1 84 . 1 1 8 8 ASP H H 1 8.527 0.025 . 1 . . . . 8 D HN . 17125 1 85 . 1 1 8 8 ASP HA H 1 4.710 0.022 . 1 . . . . 8 D HA . 17125 1 86 . 1 1 8 8 ASP HB2 H 1 4.239 0.010 . 2 . . . . 8 D HB2 . 17125 1 87 . 1 1 8 8 ASP C C 13 178.595 0.010 . 1 . . . . 8 D C . 17125 1 88 . 1 1 8 8 ASP CA C 13 52.132 0.010 . 1 . . . . 8 D CA . 17125 1 89 . 1 1 8 8 ASP CB C 13 41.067 0.010 . 1 . . . . 8 D CB . 17125 1 90 . 1 1 8 8 ASP N N 15 121.290 0.081 . 1 . . . . 8 D N . 17125 1 91 . 1 1 9 9 ARG H H 1 7.797 0.024 . 1 . . . . 9 R HN . 17125 1 92 . 1 1 9 9 ARG HA H 1 4.257 0.014 . 1 . . . . 9 R HA . 17125 1 93 . 1 1 9 9 ARG HB2 H 1 1.932 0.015 . . . . . . 9 R HB1 . 17125 1 94 . 1 1 9 9 ARG HB3 H 1 1.732 0.018 . 2 . . . . 9 R HB2 . 17125 1 95 . 1 1 9 9 ARG HD2 H 1 3.228 0.011 . . . . . . 9 R HD# . 17125 1 96 . 1 1 9 9 ARG HD3 H 1 3.228 0.011 . . . . . . 9 R HD# . 17125 1 97 . 1 1 9 9 ARG HE H 1 7.326 0.024 . 1 . . . . 9 R HE . 17125 1 98 . 1 1 9 9 ARG HG2 H 1 1.541 0.012 . . . . . . 9 R HG# . 17125 1 99 . 1 1 9 9 ARG HG3 H 1 1.541 0.012 . . . . . . 9 R HG# . 17125 1 100 . 1 1 9 9 ARG C C 13 176.673 0.010 . 1 . . . . 9 R C . 17125 1 101 . 1 1 9 9 ARG CA C 13 58.686 0.091 . 1 . . . . 9 R CA . 17125 1 102 . 1 1 9 9 ARG CB C 13 29.231 0.112 . 1 . . . . 9 R CB . 17125 1 103 . 1 1 9 9 ARG CD C 13 43.250 0.141 . 1 . . . . 9 R CD . 17125 1 104 . 1 1 9 9 ARG CG C 13 25.270 0.103 . 1 . . . . 9 R CG . 17125 1 105 . 1 1 9 9 ARG N N 15 115.863 0.147 . 1 . . . . 9 R N . 17125 1 106 . 1 1 9 9 ARG NE N 15 85.617 0.096 . 1 . . . . 9 R NE . 17125 1 107 . 1 1 10 10 ASP H H 1 8.525 0.023 . 1 . . . . 10 D HN . 17125 1 108 . 1 1 10 10 ASP HA H 1 5.103 0.009 . 1 . . . . 10 D HA . 17125 1 109 . 1 1 10 10 ASP HB2 H 1 3.071 0.016 . . . . . . 10 D HB1 . 17125 1 110 . 1 1 10 10 ASP HB3 H 1 2.781 0.021 . 2 . . . . 10 D HB2 . 17125 1 111 . 1 1 10 10 ASP C C 13 176.027 0.010 . 1 . . . . 10 D C . 17125 1 112 . 1 1 10 10 ASP CA C 13 53.891 0.119 . 1 . . . . 10 D CA . 17125 1 113 . 1 1 10 10 ASP CB C 13 42.231 0.107 . 1 . . . . 10 D CB . 17125 1 114 . 1 1 10 10 ASP N N 15 119.326 0.077 . 1 . . . . 10 D N . 17125 1 115 . 1 1 11 11 GLY H H 1 8.130 0.025 . 1 . . . . 11 G HN . 17125 1 116 . 1 1 11 11 GLY HA2 H 1 3.606 0.018 . . . . . . 11 G HA1 . 17125 1 117 . 1 1 11 11 GLY HA3 H 1 4.589 0.011 . 2 . . . . 11 G HA2 . 17125 1 118 . 1 1 11 11 GLY CA C 13 45.436 0.241 . 1 . . . . 11 G CA . 17125 1 119 . 1 1 11 11 GLY N N 15 108.109 0.062 . 1 . . . . 11 G N . 17125 1 120 . 1 1 12 12 LEU H H 1 8.991 0.019 . 1 . . . . 12 L HN . 17125 1 121 . 1 1 12 12 LEU HA H 1 4.552 0.019 . 1 . . . . 12 L HA . 17125 1 122 . 1 1 12 12 LEU HB2 H 1 2.041 0.012 . . . . . . 12 L HB# . 17125 1 123 . 1 1 12 12 LEU HB3 H 1 2.041 0.012 . . . . . . 12 L HB# . 17125 1 124 . 1 1 12 12 LEU HD11 H 1 1.037 0.023 . . . . . . 12 L HD1# . 17125 1 125 . 1 1 12 12 LEU HD12 H 1 1.037 0.023 . . . . . . 12 L HD1# . 17125 1 126 . 1 1 12 12 LEU HD13 H 1 1.037 0.023 . . . . . . 12 L HD1# . 17125 1 127 . 1 1 12 12 LEU HD21 H 1 0.869 0.024 . . . . . . 12 L HD2# . 17125 1 128 . 1 1 12 12 LEU HD22 H 1 0.869 0.024 . . . . . . 12 L HD2# . 17125 1 129 . 1 1 12 12 LEU HD23 H 1 0.869 0.024 . . . . . . 12 L HD2# . 17125 1 130 . 1 1 12 12 LEU HG H 1 1.816 0.013 . 1 . . . . 12 L HG . 17125 1 131 . 1 1 12 12 LEU CB C 13 43.244 0.034 . 1 . . . . 12 L CB . 17125 1 132 . 1 1 12 12 LEU CG C 13 26.745 0.033 . 1 . . . . 12 L CG . 17125 1 133 . 1 1 12 12 LEU N N 15 124.346 0.072 . 1 . . . . 12 L N . 17125 1 134 . 1 1 13 13 ILE H H 1 8.919 0.032 . 1 . . . . 13 I HN . 17125 1 135 . 1 1 13 13 ILE HA H 1 5.415 0.029 . 1 . . . . 13 I HA . 17125 1 136 . 1 1 13 13 ILE HB H 1 2.566 0.031 . 1 . . . . 13 I HB . 17125 1 137 . 1 1 13 13 ILE HD11 H 1 1.019 0.011 . . . . . . 13 I HD1# . 17125 1 138 . 1 1 13 13 ILE HD12 H 1 1.019 0.011 . . . . . . 13 I HD1# . 17125 1 139 . 1 1 13 13 ILE HD13 H 1 1.019 0.011 . . . . . . 13 I HD1# . 17125 1 140 . 1 1 13 13 ILE HG21 H 1 1.436 0.025 . . . . . . 13 I HG2# . 17125 1 141 . 1 1 13 13 ILE HG22 H 1 1.436 0.025 . . . . . . 13 I HG2# . 17125 1 142 . 1 1 13 13 ILE HG23 H 1 1.436 0.025 . . . . . . 13 I HG2# . 17125 1 143 . 1 1 13 13 ILE C C 13 176.166 0.010 . 1 . . . . 13 I C . 17125 1 144 . 1 1 13 13 ILE CB C 13 41.151 0.056 . 1 . . . . 13 I CB . 17125 1 145 . 1 1 13 13 ILE CD1 C 13 13.191 0.059 . 1 . . . . 13 I CD1 . 17125 1 146 . 1 1 13 13 ILE CG2 C 13 18.446 0.021 . 1 . . . . 13 I CG2 . 17125 1 147 . 1 1 13 13 ILE N N 15 113.481 0.081 . 1 . . . . 13 I N . 17125 1 148 . 1 1 14 14 GLY H H 1 7.837 0.043 . 1 . . . . 14 G HN . 17125 1 149 . 1 1 14 14 GLY C C 13 174.458 0.010 . 1 . . . . 14 G C . 17125 1 150 . 1 1 14 14 GLY N N 15 107.228 0.079 . 1 . . . . 14 G N . 17125 1 151 . 1 1 15 15 LYS H H 1 8.457 0.005 . 1 . . . . 15 K HN . 17125 1 152 . 1 1 15 15 LYS HA H 1 4.461 0.010 . 1 . . . . 15 K HA . 17125 1 153 . 1 1 15 15 LYS HB2 H 1 1.814 0.009 . . . . . . 15 K HB1 . 17125 1 154 . 1 1 15 15 LYS HE2 H 1 3.070 0.010 . . . . . . 15 K HE# . 17125 1 155 . 1 1 15 15 LYS HE3 H 1 3.070 0.010 . . . . . . 15 K HE# . 17125 1 156 . 1 1 15 15 LYS HG2 H 1 1.323 0.010 . . . . . . 15 K HG1 . 17125 1 157 . 1 1 15 15 LYS C C 13 172.120 0.010 . 1 . . . . 15 K C . 17125 1 158 . 1 1 15 15 LYS CA C 13 55.644 0.010 . 1 . . . . 15 K CA . 17125 1 159 . 1 1 15 15 LYS CB C 13 31.657 0.010 . 1 . . . . 15 K CB . 17125 1 160 . 1 1 15 15 LYS N N 15 122.663 0.045 . 1 . . . . 15 K N . 17125 1 161 . 1 1 16 16 ASP H H 1 10.133 0.044 . 1 . . . . 16 D HN . 17125 1 162 . 1 1 16 16 ASP N N 15 128.524 0.062 . 1 . . . . 16 D N . 17125 1 163 . 1 1 18 18 HIS HE1 H 1 8.520 0.003 . 1 . . . . 18 H HE1 . 17125 1 164 . 1 1 22 22 HIS HE1 H 1 8.076 0.028 . 1 . . . . 22 H HE1 . 17125 1 165 . 1 1 22 22 HIS CE1 C 13 137.549 0.010 . 1 . . . . 22 H CE1 . 17125 1 166 . 1 1 23 23 LEU HA H 1 4.907 0.010 . 1 . . . . 23 L HA . 17125 1 167 . 1 1 24 24 PRO HB2 H 1 2.250 0.010 . 2 . . . . 24 P HB2 . 17125 1 168 . 1 1 24 24 PRO HG2 H 1 2.154 0.010 . 2 . . . . 24 P HG2 . 17125 1 169 . 1 1 25 25 ASP H H 1 8.812 0.014 . 1 . . . . 25 D HN . 17125 1 170 . 1 1 25 25 ASP HA H 1 4.765 0.010 . 1 . . . . 25 D HA . 17125 1 171 . 1 1 25 25 ASP HB2 H 1 3.062 0.010 . . . . . . 25 D HB1 . 17125 1 172 . 1 1 25 25 ASP HB3 H 1 2.780 0.010 . 2 . . . . 25 D HB2 . 17125 1 173 . 1 1 25 25 ASP N N 15 115.646 0.094 . 1 . . . . 25 D N . 17125 1 174 . 1 1 28 28 HIS HE1 H 1 7.998 0.016 . 1 . . . . 28 H HE1 . 17125 1 175 . 1 1 28 28 HIS CE1 C 13 138.049 0.010 . 1 . . . . 28 H CE1 . 17125 1 176 . 1 1 29 29 TYR HA H 1 4.243 0.006 . 1 . . . . 29 Y HA . 17125 1 177 . 1 1 29 29 TYR HB2 H 1 3.039 0.008 . . . . . . 29 Y HB1 . 17125 1 178 . 1 1 29 29 TYR HB3 H 1 2.724 0.007 . 2 . . . . 29 Y HB2 . 17125 1 179 . 1 1 29 29 TYR HD1 H 1 6.951 0.032 . . . . . . 29 Y HD# . 17125 1 180 . 1 1 29 29 TYR HD2 H 1 6.951 0.032 . . . . . . 29 Y HD# . 17125 1 181 . 1 1 29 29 TYR HE1 H 1 6.704 0.049 . . . . . . 29 Y HE# . 17125 1 182 . 1 1 29 29 TYR HE2 H 1 6.704 0.049 . . . . . . 29 Y HE# . 17125 1 183 . 1 1 29 29 TYR CA C 13 60.160 0.049 . 1 . . . . 29 Y CA . 17125 1 184 . 1 1 29 29 TYR CB C 13 39.172 0.009 . 1 . . . . 29 Y CB . 17125 1 185 . 1 1 29 29 TYR CD1 C 13 132.772 0.008 . . . . . . 29 Y CD# . 17125 1 186 . 1 1 29 29 TYR CD2 C 13 132.772 0.008 . . . . . . 29 Y CD# . 17125 1 187 . 1 1 30 30 PHE H H 1 9.194 0.010 . 1 . . . . 30 F HN . 17125 1 188 . 1 1 30 30 PHE N N 15 121.119 0.010 . 1 . . . . 30 F N . 17125 1 189 . 1 1 31 31 ARG H H 1 8.019 0.010 . 1 . . . . 31 R HN . 17125 1 190 . 1 1 31 31 ARG HA H 1 3.801 0.010 . 1 . . . . 31 R HA . 17125 1 191 . 1 1 31 31 ARG HD2 H 1 3.262 0.010 . . . . . . 31 R HD# . 17125 1 192 . 1 1 31 31 ARG HD3 H 1 3.262 0.010 . . . . . . 31 R HD# . 17125 1 193 . 1 1 31 31 ARG HE H 1 7.526 0.004 . 1 . . . . 31 R HE . 17125 1 194 . 1 1 31 31 ARG C C 13 177.729 0.010 . 1 . . . . 31 R C . 17125 1 195 . 1 1 31 31 ARG CD C 13 43.275 0.010 . 1 . . . . 31 R CD . 17125 1 196 . 1 1 31 31 ARG CG C 13 28.457 0.010 . 1 . . . . 31 R CG . 17125 1 197 . 1 1 31 31 ARG CZ C 13 181.474 0.010 . 1 . . . . 31 R Cz . 17125 1 198 . 1 1 31 31 ARG N N 15 120.412 0.010 . 1 . . . . 31 R N . 17125 1 199 . 1 1 31 31 ARG NE N 15 84.670 0.053 . 1 . . . . 31 R NE . 17125 1 200 . 1 1 32 32 ALA H H 1 8.120 0.026 . 1 . . . . 32 A HN . 17125 1 201 . 1 1 32 32 ALA HA H 1 4.045 0.025 . 1 . . . . 32 A HA . 17125 1 202 . 1 1 32 32 ALA HB1 H 1 1.426 0.010 . . . . . . 32 A HB# . 17125 1 203 . 1 1 32 32 ALA HB2 H 1 1.426 0.010 . . . . . . 32 A HB# . 17125 1 204 . 1 1 32 32 ALA HB3 H 1 1.426 0.010 . . . . . . 32 A HB# . 17125 1 205 . 1 1 32 32 ALA C C 13 180.480 0.010 . 1 . . . . 32 A C . 17125 1 206 . 1 1 32 32 ALA CA C 13 55.038 0.205 . 1 . . . . 32 A CA . 17125 1 207 . 1 1 32 32 ALA CB C 13 17.322 0.130 . 1 . . . . 32 A CB . 17125 1 208 . 1 1 32 32 ALA N N 15 121.927 0.089 . 1 . . . . 32 A N . 17125 1 209 . 1 1 33 33 GLN H H 1 7.816 0.143 . 1 . . . . 33 Q HN . 17125 1 210 . 1 1 33 33 GLN HA H 1 4.273 0.006 . 1 . . . . 33 Q HA . 17125 1 211 . 1 1 33 33 GLN HB2 H 1 1.370 0.010 . . . . . . 33 Q HB1 . 17125 1 212 . 1 1 33 33 GLN HB3 H 1 1.740 0.007 . 2 . . . . 33 Q HB2 . 17125 1 213 . 1 1 33 33 GLN HE21 H 1 6.089 0.031 . 2 . . . . 33 Q HE21 . 17125 1 214 . 1 1 33 33 GLN HE22 H 1 6.636 0.008 . 2 . . . . 33 Q HE22 . 17125 1 215 . 1 1 33 33 GLN HG2 H 1 1.409 0.005 . . . . . . 33 Q HG1 . 17125 1 216 . 1 1 33 33 GLN HG3 H 1 1.546 0.012 . 2 . . . . 33 Q HG2 . 17125 1 217 . 1 1 33 33 GLN C C 13 176.238 0.010 . 1 . . . . 33 Q C . 17125 1 218 . 1 1 33 33 GLN N N 15 111.993 0.108 . 1 . . . . 33 Q N . 17125 1 219 . 1 1 33 33 GLN NE2 N 15 112.061 0.094 . 1 . . . . 33 Q NE2 . 17125 1 220 . 1 1 34 34 THR H H 1 7.285 0.024 . 1 . . . . 34 T HN . 17125 1 221 . 1 1 34 34 THR HA H 1 4.332 0.002 . 1 . . . . 34 T HA . 17125 1 222 . 1 1 34 34 THR HB H 1 3.974 0.017 . 1 . . . . 34 T HB . 17125 1 223 . 1 1 34 34 THR HG21 H 1 0.644 0.285 . . . . . . 34 T HG2# . 17125 1 224 . 1 1 34 34 THR HG22 H 1 0.644 0.285 . . . . . . 34 T HG2# . 17125 1 225 . 1 1 34 34 THR HG23 H 1 0.644 0.285 . . . . . . 34 T HG2# . 17125 1 226 . 1 1 34 34 THR CA C 13 62.328 0.010 . 1 . . . . 34 T CA . 17125 1 227 . 1 1 34 34 THR CB C 13 71.468 0.101 . 1 . . . . 34 T CB . 17125 1 228 . 1 1 34 34 THR CG2 C 13 21.076 0.101 . 1 . . . . 34 T CG2 . 17125 1 229 . 1 1 34 34 THR N N 15 104.603 0.134 . 1 . . . . 34 T N . 17125 1 230 . 1 1 35 35 VAL H H 1 7.794 0.010 . 1 . . . . 35 V HN . 17125 1 231 . 1 1 35 35 VAL HA H 1 3.802 0.010 . 1 . . . . 35 V HA . 17125 1 232 . 1 1 35 35 VAL HB H 1 2.159 0.012 . 1 . . . . 35 V HB . 17125 1 233 . 1 1 35 35 VAL HG11 H 1 1.068 0.020 . . . . . . 35 V HG# . 17125 1 234 . 1 1 35 35 VAL HG12 H 1 1.068 0.020 . . . . . . 35 V HG# . 17125 1 235 . 1 1 35 35 VAL HG13 H 1 1.068 0.020 . . . . . . 35 V HG# . 17125 1 236 . 1 1 35 35 VAL HG21 H 1 1.068 0.020 . . . . . . 35 V HG# . 17125 1 237 . 1 1 35 35 VAL HG22 H 1 1.068 0.020 . . . . . . 35 V HG# . 17125 1 238 . 1 1 35 35 VAL HG23 H 1 1.068 0.020 . . . . . . 35 V HG# . 17125 1 239 . 1 1 35 35 VAL C C 13 177.051 0.010 . 1 . . . . 35 V C . 17125 1 240 . 1 1 35 35 VAL CA C 13 64.778 0.022 . 1 . . . . 35 V CA . 17125 1 241 . 1 1 35 35 VAL CB C 13 31.037 0.042 . 1 . . . . 35 V CB . 17125 1 242 . 1 1 35 35 VAL CG1 C 13 20.276 0.024 . . . . . . 35 V CG# . 17125 1 243 . 1 1 35 35 VAL CG2 C 13 20.276 0.024 . . . . . . 35 V CG# . 17125 1 244 . 1 1 36 36 GLY H H 1 9.268 0.020 . 1 . . . . 36 G HN . 17125 1 245 . 1 1 36 36 GLY HA2 H 1 4.280 0.010 . . . . . . 36 G HA1 . 17125 1 246 . 1 1 36 36 GLY HA3 H 1 3.982 0.002 . 2 . . . . 36 G HA2 . 17125 1 247 . 1 1 36 36 GLY C C 13 174.343 0.010 . 1 . . . . 36 G C . 17125 1 248 . 1 1 36 36 GLY CA C 13 45.789 0.010 . 1 . . . . 36 G CA . 17125 1 249 . 1 1 36 36 GLY N N 15 113.248 0.077 . 1 . . . . 36 G N . 17125 1 250 . 1 1 37 37 LYS H H 1 7.833 0.032 . 1 . . . . 37 K HN . 17125 1 251 . 1 1 37 37 LYS HA H 1 4.838 0.008 . 1 . . . . 37 K HA . 17125 1 252 . 1 1 37 37 LYS HB2 H 1 1.974 0.021 . . . . . . 37 K HB# . 17125 1 253 . 1 1 37 37 LYS HB3 H 1 1.974 0.021 . . . . . . 37 K HB# . 17125 1 254 . 1 1 37 37 LYS HE2 H 1 2.988 0.004 . . . . . . 37 K HE# . 17125 1 255 . 1 1 37 37 LYS HE3 H 1 2.988 0.004 . . . . . . 37 K HE# . 17125 1 256 . 1 1 37 37 LYS HG2 H 1 1.402 0.022 . . . . . . 37 K HG# . 17125 1 257 . 1 1 37 37 LYS HG3 H 1 1.402 0.022 . . . . . . 37 K HG# . 17125 1 258 . 1 1 37 37 LYS CA C 13 55.097 0.010 . 1 . . . . 37 K CA . 17125 1 259 . 1 1 37 37 LYS CB C 13 33.779 0.010 . 1 . . . . 37 K CB . 17125 1 260 . 1 1 37 37 LYS CG C 13 25.576 0.065 . 1 . . . . 37 K CG . 17125 1 261 . 1 1 37 37 LYS N N 15 120.554 0.044 . 1 . . . . 37 K N . 17125 1 262 . 1 1 38 38 ILE H H 1 8.627 0.016 . 1 . . . . 38 I HN . 17125 1 263 . 1 1 38 38 ILE HA H 1 4.278 0.027 . 1 . . . . 38 I HA . 17125 1 264 . 1 1 38 38 ILE HB H 1 1.900 0.017 . 1 . . . . 38 I HB . 17125 1 265 . 1 1 38 38 ILE HD11 H 1 1.121 0.014 . . . . . . 38 I HD1# . 17125 1 266 . 1 1 38 38 ILE HD12 H 1 1.121 0.014 . . . . . . 38 I HD1# . 17125 1 267 . 1 1 38 38 ILE HD13 H 1 1.121 0.014 . . . . . . 38 I HD1# . 17125 1 268 . 1 1 38 38 ILE HG12 H 1 0.830 0.015 . . . . . . 38 I HG11 . 17125 1 269 . 1 1 38 38 ILE HG13 H 1 1.843 0.010 . 2 . . . . 38 I HG12 . 17125 1 270 . 1 1 38 38 ILE HG21 H 1 0.785 0.019 . . . . . . 38 I HG2# . 17125 1 271 . 1 1 38 38 ILE HG22 H 1 0.785 0.019 . . . . . . 38 I HG2# . 17125 1 272 . 1 1 38 38 ILE HG23 H 1 0.785 0.019 . . . . . . 38 I HG2# . 17125 1 273 . 1 1 38 38 ILE C C 13 172.905 0.010 . 1 . . . . 38 I C . 17125 1 274 . 1 1 38 38 ILE CB C 13 37.777 0.068 . 1 . . . . 38 I CB . 17125 1 275 . 1 1 38 38 ILE CD1 C 13 14.331 0.103 . 1 . . . . 38 I CD1 . 17125 1 276 . 1 1 38 38 ILE CG1 C 13 27.784 0.089 . 1 . . . . 38 I CG1 . 17125 1 277 . 1 1 38 38 ILE CG2 C 13 19.117 0.052 . 1 . . . . 38 I CG2 . 17125 1 278 . 1 1 39 39 MET H H 1 9.002 0.029 . 1 . . . . 39 M HN . 17125 1 279 . 1 1 39 39 MET HA H 1 5.381 0.027 . 1 . . . . 39 M HA . 17125 1 280 . 1 1 39 39 MET HE1 H 1 2.207 0.008 . . . . . . 39 M HE# . 17125 1 281 . 1 1 39 39 MET HE2 H 1 2.207 0.008 . . . . . . 39 M HE# . 17125 1 282 . 1 1 39 39 MET HE3 H 1 2.207 0.008 . . . . . . 39 M HE# . 17125 1 283 . 1 1 39 39 MET C C 13 173.264 0.010 . 1 . . . . 39 M C . 17125 1 284 . 1 1 39 39 MET CA C 13 53.326 0.046 . 1 . . . . 39 M CA . 17125 1 285 . 1 1 39 39 MET CE C 13 16.886 0.006 . 1 . . . . 39 M CE . 17125 1 286 . 1 1 39 39 MET N N 15 129.791 0.158 . 1 . . . . 39 M N . 17125 1 287 . 1 1 40 40 VAL H H 1 9.213 0.027 . 1 . . . . 40 V HN . 17125 1 288 . 1 1 40 40 VAL HA H 1 5.154 0.017 . 1 . . . . 40 V HA . 17125 1 289 . 1 1 40 40 VAL HB H 1 1.894 0.012 . 1 . . . . 40 V HB . 17125 1 290 . 1 1 40 40 VAL HG11 H 1 0.776 0.013 . . . . . . 40 V HG1# . 17125 1 291 . 1 1 40 40 VAL HG12 H 1 0.776 0.013 . . . . . . 40 V HG1# . 17125 1 292 . 1 1 40 40 VAL HG13 H 1 0.776 0.013 . . . . . . 40 V HG1# . 17125 1 293 . 1 1 40 40 VAL HG21 H 1 0.716 0.017 . . . . . . 40 V HG2# . 17125 1 294 . 1 1 40 40 VAL HG22 H 1 0.716 0.017 . . . . . . 40 V HG2# . 17125 1 295 . 1 1 40 40 VAL HG23 H 1 0.716 0.017 . . . . . . 40 V HG2# . 17125 1 296 . 1 1 40 40 VAL C C 13 175.245 0.010 . 1 . . . . 40 V C . 17125 1 297 . 1 1 40 40 VAL CA C 13 60.507 0.286 . 1 . . . . 40 V CA . 17125 1 298 . 1 1 40 40 VAL CB C 13 32.622 0.175 . 1 . . . . 40 V CB . 17125 1 299 . 1 1 40 40 VAL CG1 C 13 20.473 0.074 . 2 . . . . 40 V CG1 . 17125 1 300 . 1 1 40 40 VAL CG2 C 13 21.365 0.072 . 2 . . . . 40 V CG2 . 17125 1 301 . 1 1 40 40 VAL N N 15 128.778 0.061 . 1 . . . . 40 V N . 17125 1 302 . 1 1 41 41 VAL H H 1 9.122 0.032 . 1 . . . . 41 V HN . 17125 1 303 . 1 1 41 41 VAL HA H 1 5.546 0.022 . 1 . . . . 41 V HA . 17125 1 304 . 1 1 41 41 VAL HB H 1 2.412 0.011 . 1 . . . . 41 V HB . 17125 1 305 . 1 1 41 41 VAL HG11 H 1 1.241 0.008 . . . . . . 41 V HG1# . 17125 1 306 . 1 1 41 41 VAL HG12 H 1 1.241 0.008 . . . . . . 41 V HG1# . 17125 1 307 . 1 1 41 41 VAL HG13 H 1 1.241 0.008 . . . . . . 41 V HG1# . 17125 1 308 . 1 1 41 41 VAL HG21 H 1 1.059 0.008 . . . . . . 41 V HG2# . 17125 1 309 . 1 1 41 41 VAL HG22 H 1 1.059 0.008 . . . . . . 41 V HG2# . 17125 1 310 . 1 1 41 41 VAL HG23 H 1 1.059 0.008 . . . . . . 41 V HG2# . 17125 1 311 . 1 1 41 41 VAL C C 13 175.158 0.010 . 1 . . . . 41 V C . 17125 1 312 . 1 1 41 41 VAL CA C 13 57.546 0.145 . 1 . . . . 41 V CA . 17125 1 313 . 1 1 41 41 VAL CB C 13 37.478 0.106 . 1 . . . . 41 V CB . 17125 1 314 . 1 1 41 41 VAL CG1 C 13 24.533 0.030 . 2 . . . . 41 V CG1 . 17125 1 315 . 1 1 41 41 VAL CG2 C 13 18.743 0.035 . 2 . . . . 41 V CG2 . 17125 1 316 . 1 1 41 41 VAL N N 15 119.664 0.055 . 1 . . . . 41 V N . 17125 1 317 . 1 1 42 42 GLY H H 1 8.425 0.028 . 1 . . . . 42 G HN . 17125 1 318 . 1 1 42 42 GLY HA2 H 1 4.749 0.015 . . . . . . 42 G HA1 . 17125 1 319 . 1 1 42 42 GLY HA3 H 1 4.200 0.017 . 2 . . . . 42 G HA2 . 17125 1 320 . 1 1 42 42 GLY C C 13 174.568 0.010 . 1 . . . . 42 G C . 17125 1 321 . 1 1 42 42 GLY CA C 13 43.732 0.162 . 1 . . . . 42 G CA . 17125 1 322 . 1 1 42 42 GLY N N 15 106.274 0.097 . 1 . . . . 42 G N . 17125 1 323 . 1 1 43 43 ARG H H 1 8.834 0.023 . 1 . . . . 43 R HN . 17125 1 324 . 1 1 43 43 ARG HA H 1 3.677 0.015 . 1 . . . . 43 R HA . 17125 1 325 . 1 1 43 43 ARG HB2 H 1 1.624 0.009 . . . . . . 43 R HB1 . 17125 1 326 . 1 1 43 43 ARG HB3 H 1 1.402 0.006 . 2 . . . . 43 R HB2 . 17125 1 327 . 1 1 43 43 ARG HD2 H 1 3.041 0.014 . . . . . . 43 R HD1 . 17125 1 328 . 1 1 43 43 ARG HD3 H 1 2.559 0.016 . 2 . . . . 43 R HD2 . 17125 1 329 . 1 1 43 43 ARG HE H 1 8.423 0.031 . 1 . . . . 43 R HE . 17125 1 330 . 1 1 43 43 ARG HG2 H 1 1.165 0.006 . . . . . . 43 R HG# . 17125 1 331 . 1 1 43 43 ARG HG3 H 1 1.165 0.006 . . . . . . 43 R HG# . 17125 1 332 . 1 1 43 43 ARG C C 13 177.392 0.010 . 1 . . . . 43 R C . 17125 1 333 . 1 1 43 43 ARG CA C 13 60.628 0.010 . 1 . . . . 43 R CA . 17125 1 334 . 1 1 43 43 ARG CB C 13 30.751 0.039 . 1 . . . . 43 R CB . 17125 1 335 . 1 1 43 43 ARG CD C 13 43.406 0.193 . 1 . . . . 43 R CD . 17125 1 336 . 1 1 43 43 ARG CG C 13 26.118 0.075 . 1 . . . . 43 R CG . 17125 1 337 . 1 1 43 43 ARG N N 15 119.684 0.153 . 1 . . . . 43 R N . 17125 1 338 . 1 1 43 43 ARG NE N 15 85.401 0.146 . 1 . . . . 43 R NE . 17125 1 339 . 1 1 44 44 ARG H H 1 8.514 0.017 . 1 . . . . 44 R HN . 17125 1 340 . 1 1 44 44 ARG HA H 1 3.970 0.013 . 1 . . . . 44 R HA . 17125 1 341 . 1 1 44 44 ARG HB2 H 1 1.956 0.016 . . . . . . 44 R HB1 . 17125 1 342 . 1 1 44 44 ARG HB3 H 1 1.853 0.025 . 2 . . . . 44 R HB2 . 17125 1 343 . 1 1 44 44 ARG HD2 H 1 3.263 0.005 . . . . . . 44 R HD# . 17125 1 344 . 1 1 44 44 ARG HD3 H 1 3.263 0.005 . . . . . . 44 R HD# . 17125 1 345 . 1 1 44 44 ARG HG2 H 1 1.811 0.010 . . . . . . 44 R HG1 . 17125 1 346 . 1 1 44 44 ARG HG3 H 1 1.691 0.003 . 2 . . . . 44 R HG2 . 17125 1 347 . 1 1 44 44 ARG C C 13 179.470 0.010 . 1 . . . . 44 R C . 17125 1 348 . 1 1 44 44 ARG CA C 13 59.220 0.233 . 1 . . . . 44 R CA . 17125 1 349 . 1 1 44 44 ARG CB C 13 29.049 0.007 . 1 . . . . 44 R CB . 17125 1 350 . 1 1 44 44 ARG N N 15 117.318 0.067 . 1 . . . . 44 R N . 17125 1 351 . 1 1 45 45 THR H H 1 7.842 0.024 . 1 . . . . 45 T HN . 17125 1 352 . 1 1 45 45 THR HA H 1 3.754 0.017 . 1 . . . . 45 T HA . 17125 1 353 . 1 1 45 45 THR HB H 1 4.062 0.012 . 1 . . . . 45 T HB . 17125 1 354 . 1 1 45 45 THR HG21 H 1 1.041 0.011 . . . . . . 45 T HG2# . 17125 1 355 . 1 1 45 45 THR HG22 H 1 1.041 0.011 . . . . . . 45 T HG2# . 17125 1 356 . 1 1 45 45 THR HG23 H 1 1.041 0.011 . . . . . . 45 T HG2# . 17125 1 357 . 1 1 45 45 THR C C 13 176.046 0.010 . 1 . . . . 45 T C . 17125 1 358 . 1 1 45 45 THR CA C 13 66.803 0.225 . 1 . . . . 45 T CA . 17125 1 359 . 1 1 45 45 THR CB C 13 68.473 0.120 . 1 . . . . 45 T CB . 17125 1 360 . 1 1 45 45 THR CG2 C 13 20.878 0.157 . 1 . . . . 45 T CG2 . 17125 1 361 . 1 1 45 45 THR N N 15 118.793 0.058 . 1 . . . . 45 T N . 17125 1 362 . 1 1 46 46 TYR H H 1 8.582 0.025 . 1 . . . . 46 Y HN . 17125 1 363 . 1 1 46 46 TYR HA H 1 3.702 0.016 . 1 . . . . 46 Y HA . 17125 1 364 . 1 1 46 46 TYR HB2 H 1 3.056 0.012 . . . . . . 46 Y HB# . 17125 1 365 . 1 1 46 46 TYR HB3 H 1 3.056 0.012 . . . . . . 46 Y HB# . 17125 1 366 . 1 1 46 46 TYR HD1 H 1 7.128 0.033 . . . . . . 46 Y HD# . 17125 1 367 . 1 1 46 46 TYR HD2 H 1 7.128 0.033 . . . . . . 46 Y HD# . 17125 1 368 . 1 1 46 46 TYR C C 13 177.082 0.010 . 1 . . . . 46 Y C . 17125 1 369 . 1 1 46 46 TYR CA C 13 61.047 0.173 . 1 . . . . 46 Y CA . 17125 1 370 . 1 1 46 46 TYR CB C 13 38.520 0.137 . 1 . . . . 46 Y CB . 17125 1 371 . 1 1 46 46 TYR N N 15 124.101 0.067 . 1 . . . . 46 Y N . 17125 1 372 . 1 1 47 47 GLU H H 1 8.161 0.034 . 1 . . . . 47 E HN . 17125 1 373 . 1 1 47 47 GLU HA H 1 3.670 0.011 . 1 . . . . 47 E HA . 17125 1 374 . 1 1 47 47 GLU HB2 H 1 2.178 0.011 . . . . . . 47 E HB1 . 17125 1 375 . 1 1 47 47 GLU HB3 H 1 1.957 0.012 . 2 . . . . 47 E HB2 . 17125 1 376 . 1 1 47 47 GLU HG2 H 1 2.993 0.005 . . . . . . 47 E HG1 . 17125 1 377 . 1 1 47 47 GLU HG3 H 1 2.405 0.013 . 2 . . . . 47 E HG2 . 17125 1 378 . 1 1 47 47 GLU C C 13 176.593 0.010 . 1 . . . . 47 E C . 17125 1 379 . 1 1 47 47 GLU CA C 13 58.326 0.125 . 1 . . . . 47 E CA . 17125 1 380 . 1 1 47 47 GLU CB C 13 28.464 0.127 . 1 . . . . 47 E CB . 17125 1 381 . 1 1 47 47 GLU CG C 13 37.051 0.074 . 1 . . . . 47 E CG . 17125 1 382 . 1 1 47 47 GLU N N 15 112.545 0.082 . 1 . . . . 47 E N . 17125 1 383 . 1 1 48 48 SER H H 1 7.460 0.024 . 1 . . . . 48 S HN . 17125 1 384 . 1 1 48 48 SER HA H 1 4.370 0.006 . 1 . . . . 48 S HA . 17125 1 385 . 1 1 48 48 SER HB2 H 1 3.928 0.007 . . . . . . 48 S HB# . 17125 1 386 . 1 1 48 48 SER HB3 H 1 3.928 0.007 . . . . . . 48 S HB# . 17125 1 387 . 1 1 48 48 SER C C 13 174.988 0.010 . 1 . . . . 48 S C . 17125 1 388 . 1 1 48 48 SER CA C 13 59.123 0.153 . 1 . . . . 48 S CA . 17125 1 389 . 1 1 48 48 SER CB C 13 56.636 15.200 . 1 . . . . 48 S CB . 17125 1 390 . 1 1 48 48 SER N N 15 114.681 0.065 . 1 . . . . 48 S N . 17125 1 391 . 1 1 49 49 PHE H H 1 7.369 0.028 . 1 . . . . 49 F HN . 17125 1 392 . 1 1 49 49 PHE HA H 1 5.057 0.028 . 1 . . . . 49 F HA . 17125 1 393 . 1 1 49 49 PHE HB2 H 1 3.136 0.032 . . . . . . 49 F HB# . 17125 1 394 . 1 1 49 49 PHE HB3 H 1 3.136 0.032 . . . . . . 49 F HB# . 17125 1 395 . 1 1 49 49 PHE HD1 H 1 7.231 0.014 . . . . . . 49 F HD# . 17125 1 396 . 1 1 49 49 PHE HD2 H 1 7.231 0.014 . . . . . . 49 F HD# . 17125 1 397 . 1 1 49 49 PHE HZ H 1 7.230 0.027 . 1 . . . . 49 F Hz . 17125 1 398 . 1 1 49 49 PHE CA C 13 53.387 0.010 . 1 . . . . 49 F CA . 17125 1 399 . 1 1 49 49 PHE CB C 13 37.093 0.167 . 1 . . . . 49 F CB . 17125 1 400 . 1 1 49 49 PHE N N 15 125.097 0.051 . 1 . . . . 49 F N . 17125 1 401 . 1 1 50 50 PRO HA H 1 4.359 0.034 . 1 . . . . 50 P HA . 17125 1 402 . 1 1 50 50 PRO HB2 H 1 2.170 0.018 . . . . . . 50 P HB1 . 17125 1 403 . 1 1 50 50 PRO HB3 H 1 2.066 0.035 . 2 . . . . 50 P HB2 . 17125 1 404 . 1 1 50 50 PRO HD2 H 1 3.950 0.015 . . . . . . 50 P HD1 . 17125 1 405 . 1 1 50 50 PRO HD3 H 1 3.704 0.010 . 2 . . . . 50 P HD2 . 17125 1 406 . 1 1 50 50 PRO HG2 H 1 2.295 0.010 . . . . . . 50 P HG1 . 17125 1 407 . 1 1 50 50 PRO HG3 H 1 2.436 0.017 . 2 . . . . 50 P HG2 . 17125 1 408 . 1 1 50 50 PRO C C 13 176.757 0.010 . 1 . . . . 50 P C . 17125 1 409 . 1 1 50 50 PRO CA C 13 64.352 0.008 . 1 . . . . 50 P CA . 17125 1 410 . 1 1 50 50 PRO CB C 13 31.523 0.104 . 1 . . . . 50 P CB . 17125 1 411 . 1 1 50 50 PRO CD C 13 50.170 0.162 . 1 . . . . 50 P CD . 17125 1 412 . 1 1 50 50 PRO CG C 13 27.124 0.010 . 1 . . . . 50 P CG . 17125 1 413 . 1 1 51 51 LYS H H 1 7.383 0.030 . 1 . . . . 51 K HN . 17125 1 414 . 1 1 51 51 LYS HA H 1 4.483 0.014 . 1 . . . . 51 K HA . 17125 1 415 . 1 1 51 51 LYS HB2 H 1 1.768 0.017 . . . . . . 51 K HB1 . 17125 1 416 . 1 1 51 51 LYS HB3 H 1 1.674 0.008 . 2 . . . . 51 K HB2 . 17125 1 417 . 1 1 51 51 LYS HE2 H 1 3.050 0.006 . . . . . . 51 K HE# . 17125 1 418 . 1 1 51 51 LYS HE3 H 1 3.050 0.006 . . . . . . 51 K HE# . 17125 1 419 . 1 1 51 51 LYS HG2 H 1 1.420 0.008 . . . . . . 51 K HG# . 17125 1 420 . 1 1 51 51 LYS HG3 H 1 1.420 0.008 . . . . . . 51 K HG# . 17125 1 421 . 1 1 51 51 LYS C C 13 173.415 0.010 . 1 . . . . 51 K C . 17125 1 422 . 1 1 51 51 LYS CA C 13 55.059 0.010 . 1 . . . . 51 K CA . 17125 1 423 . 1 1 51 51 LYS CB C 13 34.152 0.110 . 1 . . . . 51 K CB . 17125 1 424 . 1 1 51 51 LYS CE C 13 41.603 0.021 . 1 . . . . 51 K CE . 17125 1 425 . 1 1 51 51 LYS CG C 13 24.421 0.022 . 1 . . . . 51 K CG . 17125 1 426 . 1 1 51 51 LYS N N 15 116.837 0.122 . 1 . . . . 51 K N . 17125 1 427 . 1 1 52 52 ARG H H 1 8.364 0.033 . 1 . . . . 52 R HN . 17125 1 428 . 1 1 52 52 ARG HA H 1 4.487 0.018 . 1 . . . . 52 R HA . 17125 1 429 . 1 1 52 52 ARG HB2 H 1 1.433 0.013 . . . . . . 52 R HB# . 17125 1 430 . 1 1 52 52 ARG HB3 H 1 1.433 0.013 . . . . . . 52 R HB# . 17125 1 431 . 1 1 52 52 ARG HD2 H 1 2.764 0.002 . . . . . . 52 R HD1 . 17125 1 432 . 1 1 52 52 ARG HD3 H 1 2.494 0.016 . 2 . . . . 52 R HD2 . 17125 1 433 . 1 1 52 52 ARG HE H 1 6.832 0.025 . 1 . . . . 52 R HE . 17125 1 434 . 1 1 52 52 ARG HG2 H 1 1.161 0.009 . . . . . . 52 R HG# . 17125 1 435 . 1 1 52 52 ARG HG3 H 1 1.161 0.009 . . . . . . 52 R HG# . 17125 1 436 . 1 1 52 52 ARG CA C 13 52.702 0.010 . 1 . . . . 52 R CA . 17125 1 437 . 1 1 52 52 ARG CB C 13 30.816 0.115 . 1 . . . . 52 R CB . 17125 1 438 . 1 1 52 52 ARG CD C 13 42.986 0.168 . 1 . . . . 52 R CD . 17125 1 439 . 1 1 52 52 ARG CG C 13 25.076 0.010 . 1 . . . . 52 R CG . 17125 1 440 . 1 1 52 52 ARG N N 15 121.385 0.039 . 1 . . . . 52 R N . 17125 1 441 . 1 1 52 52 ARG NE N 15 83.308 0.167 . 1 . . . . 52 R NE . 17125 1 442 . 1 1 53 53 PRO HA H 1 4.664 0.024 . 1 . . . . 53 P HA . 17125 1 443 . 1 1 53 53 PRO HB2 H 1 2.506 0.011 . . . . . . 53 P HB1 . 17125 1 444 . 1 1 53 53 PRO HB3 H 1 2.151 0.017 . 2 . . . . 53 P HB2 . 17125 1 445 . 1 1 53 53 PRO HD2 H 1 3.695 0.003 . . . . . . 53 P HD1 . 17125 1 446 . 1 1 53 53 PRO HD3 H 1 3.793 0.004 . 2 . . . . 53 P HD2 . 17125 1 447 . 1 1 53 53 PRO HG2 H 1 1.878 0.002 . . . . . . 53 P HG1 . 17125 1 448 . 1 1 53 53 PRO HG3 H 1 2.063 0.006 . 2 . . . . 53 P HG2 . 17125 1 449 . 1 1 53 53 PRO C C 13 176.688 0.010 . 1 . . . . 53 P C . 17125 1 450 . 1 1 53 53 PRO CA C 13 62.360 0.012 . 1 . . . . 53 P CA . 17125 1 451 . 1 1 53 53 PRO CD C 13 49.891 0.079 . 1 . . . . 53 P CD . 17125 1 452 . 1 1 54 54 LEU H H 1 9.656 0.031 . 1 . . . . 54 L HN . 17125 1 453 . 1 1 54 54 LEU HA H 1 4.550 0.018 . 1 . . . . 54 L HA . 17125 1 454 . 1 1 54 54 LEU HB2 H 1 1.530 0.008 . . . . . . 54 L HB1 . 17125 1 455 . 1 1 54 54 LEU HB3 H 1 1.178 0.010 . 2 . . . . 54 L HB2 . 17125 1 456 . 1 1 54 54 LEU HD11 H 1 0.400 0.012 . . . . . . 54 L HD1# . 17125 1 457 . 1 1 54 54 LEU HD12 H 1 0.400 0.012 . . . . . . 54 L HD1# . 17125 1 458 . 1 1 54 54 LEU HD13 H 1 0.400 0.012 . . . . . . 54 L HD1# . 17125 1 459 . 1 1 54 54 LEU HD21 H 1 0.691 0.012 . . . . . . 54 L HD2# . 17125 1 460 . 1 1 54 54 LEU HD22 H 1 0.691 0.012 . . . . . . 54 L HD2# . 17125 1 461 . 1 1 54 54 LEU HD23 H 1 0.691 0.012 . . . . . . 54 L HD2# . 17125 1 462 . 1 1 54 54 LEU HG H 1 1.551 0.012 . 1 . . . . 54 L HG . 17125 1 463 . 1 1 54 54 LEU CA C 13 53.097 0.126 . 1 . . . . 54 L CA . 17125 1 464 . 1 1 54 54 LEU CB C 13 40.328 0.081 . 1 . . . . 54 L CB . 17125 1 465 . 1 1 54 54 LEU CD1 C 13 25.743 0.077 . 2 . . . . 54 L CD1 . 17125 1 466 . 1 1 54 54 LEU CD2 C 13 22.655 0.053 . 2 . . . . 54 L CD2 . 17125 1 467 . 1 1 54 54 LEU CG C 13 26.559 0.030 . 1 . . . . 54 L CG . 17125 1 468 . 1 1 54 54 LEU N N 15 123.259 0.115 . 1 . . . . 54 L N . 17125 1 469 . 1 1 55 55 PRO HA H 1 4.625 0.013 . 1 . . . . 55 P HA . 17125 1 470 . 1 1 55 55 PRO HB2 H 1 2.486 0.006 . . . . . . 55 P HB1 . 17125 1 471 . 1 1 55 55 PRO HB3 H 1 2.149 0.002 . 2 . . . . 55 P HB2 . 17125 1 472 . 1 1 55 55 PRO HD2 H 1 4.044 0.013 . . . . . . 55 P HD1 . 17125 1 473 . 1 1 55 55 PRO HD3 H 1 3.689 0.007 . 2 . . . . 55 P HD2 . 17125 1 474 . 1 1 55 55 PRO HG2 H 1 2.123 0.013 . . . . . . 55 P HG# . 17125 1 475 . 1 1 55 55 PRO HG3 H 1 2.123 0.013 . . . . . . 55 P HG# . 17125 1 476 . 1 1 55 55 PRO C C 13 177.274 0.010 . 1 . . . . 55 P C . 17125 1 477 . 1 1 55 55 PRO CB C 13 32.796 0.075 . 1 . . . . 55 P CB . 17125 1 478 . 1 1 55 55 PRO CD C 13 48.314 9.589 . 1 . . . . 55 P CD . 17125 1 479 . 1 1 55 55 PRO CG C 13 27.313 0.091 . 1 . . . . 55 P CG . 17125 1 480 . 1 1 56 56 GLU H H 1 9.300 0.037 . 1 . . . . 56 E HN . 17125 1 481 . 1 1 56 56 GLU HA H 1 3.986 0.016 . 1 . . . . 56 E HA . 17125 1 482 . 1 1 56 56 GLU HB2 H 1 2.455 0.021 . . . . . . 56 E HB1 . 17125 1 483 . 1 1 56 56 GLU HB3 H 1 2.248 0.038 . 2 . . . . 56 E HB2 . 17125 1 484 . 1 1 56 56 GLU HG2 H 1 2.320 0.035 . . . . . . 56 E HG1 . 17125 1 485 . 1 1 56 56 GLU HG3 H 1 2.181 0.022 . 2 . . . . 56 E HG2 . 17125 1 486 . 1 1 56 56 GLU C C 13 174.387 0.010 . 1 . . . . 56 E C . 17125 1 487 . 1 1 56 56 GLU CA C 13 57.608 0.047 . 1 . . . . 56 E CA . 17125 1 488 . 1 1 56 56 GLU CB C 13 31.569 0.034 . 1 . . . . 56 E CB . 17125 1 489 . 1 1 56 56 GLU CG C 13 37.273 0.050 . 1 . . . . 56 E CG . 17125 1 490 . 1 1 56 56 GLU N N 15 113.872 0.152 . 1 . . . . 56 E N . 17125 1 491 . 1 1 57 57 ARG H H 1 7.805 0.018 . 1 . . . . 57 R HN . 17125 1 492 . 1 1 57 57 ARG HA H 1 4.716 0.009 . 1 . . . . 57 R HA . 17125 1 493 . 1 1 57 57 ARG HB2 H 1 2.559 0.042 . . . . . . 57 R HB1 . 17125 1 494 . 1 1 57 57 ARG HB3 H 1 2.154 0.020 . 2 . . . . 57 R HB2 . 17125 1 495 . 1 1 57 57 ARG HG2 H 1 1.069 0.011 . . . . . . 57 R HG1 . 17125 1 496 . 1 1 57 57 ARG HG3 H 1 1.569 0.010 . 2 . . . . 57 R HG2 . 17125 1 497 . 1 1 57 57 ARG C C 13 173.972 0.010 . 1 . . . . 57 R C . 17125 1 498 . 1 1 57 57 ARG CA C 13 55.018 0.010 . 1 . . . . 57 R CA . 17125 1 499 . 1 1 57 57 ARG CB C 13 33.825 0.175 . 1 . . . . 57 R CB . 17125 1 500 . 1 1 57 57 ARG N N 15 113.461 0.070 . 1 . . . . 57 R N . 17125 1 501 . 1 1 58 58 THR H H 1 8.610 0.024 . 1 . . . . 58 T HN . 17125 1 502 . 1 1 58 58 THR HA H 1 4.496 0.027 . 1 . . . . 58 T HA . 17125 1 503 . 1 1 58 58 THR HB H 1 4.217 0.008 . 1 . . . . 58 T HB . 17125 1 504 . 1 1 58 58 THR HG21 H 1 1.237 0.020 . . . . . . 58 T HG2# . 17125 1 505 . 1 1 58 58 THR HG22 H 1 1.237 0.020 . . . . . . 58 T HG2# . 17125 1 506 . 1 1 58 58 THR HG23 H 1 1.237 0.020 . . . . . . 58 T HG2# . 17125 1 507 . 1 1 58 58 THR C C 13 173.520 0.010 . 1 . . . . 58 T C . 17125 1 508 . 1 1 58 58 THR CA C 13 62.982 0.257 . 1 . . . . 58 T CA . 17125 1 509 . 1 1 58 58 THR CB C 13 68.556 0.170 . 1 . . . . 58 T CB . 17125 1 510 . 1 1 58 58 THR CG2 C 13 21.174 0.046 . 1 . . . . 58 T CG2 . 17125 1 511 . 1 1 58 58 THR N N 15 119.329 0.145 . 1 . . . . 58 T N . 17125 1 512 . 1 1 59 59 ASN H H 1 9.760 0.026 . 1 . . . . 59 N HN . 17125 1 513 . 1 1 59 59 ASN HA H 1 5.112 0.019 . 1 . . . . 59 N HA . 17125 1 514 . 1 1 59 59 ASN HB2 H 1 2.377 0.012 . . . . . . 59 N HB1 . 17125 1 515 . 1 1 59 59 ASN HB3 H 1 3.202 0.011 . 2 . . . . 59 N HB2 . 17125 1 516 . 1 1 59 59 ASN HD21 H 1 6.983 0.023 . 2 . . . . 59 N HD21 . 17125 1 517 . 1 1 59 59 ASN HD22 H 1 8.017 0.029 . 2 . . . . 59 N HD22 . 17125 1 518 . 1 1 59 59 ASN C C 13 171.810 0.010 . 1 . . . . 59 N C . 17125 1 519 . 1 1 59 59 ASN CA C 13 52.811 0.010 . 1 . . . . 59 N CA . 17125 1 520 . 1 1 59 59 ASN CB C 13 39.526 0.169 . 1 . . . . 59 N CB . 17125 1 521 . 1 1 59 59 ASN N N 15 127.458 0.137 . 1 . . . . 59 N N . 17125 1 522 . 1 1 59 59 ASN ND2 N 15 111.558 0.073 . 1 . . . . 59 N ND2 . 17125 1 523 . 1 1 60 60 VAL H H 1 9.329 0.028 . 1 . . . . 60 V HN . 17125 1 524 . 1 1 60 60 VAL HA H 1 4.946 0.020 . 1 . . . . 60 V HA . 17125 1 525 . 1 1 60 60 VAL HB H 1 1.937 0.010 . 1 . . . . 60 V HB . 17125 1 526 . 1 1 60 60 VAL HG11 H 1 0.688 0.010 . . . . . . 60 V HG1# . 17125 1 527 . 1 1 60 60 VAL HG12 H 1 0.688 0.010 . . . . . . 60 V HG1# . 17125 1 528 . 1 1 60 60 VAL HG13 H 1 0.688 0.010 . . . . . . 60 V HG1# . 17125 1 529 . 1 1 60 60 VAL HG21 H 1 0.442 0.010 . . . . . . 60 V HG2# . 17125 1 530 . 1 1 60 60 VAL HG22 H 1 0.442 0.010 . . . . . . 60 V HG2# . 17125 1 531 . 1 1 60 60 VAL HG23 H 1 0.442 0.010 . . . . . . 60 V HG2# . 17125 1 532 . 1 1 60 60 VAL C C 13 173.537 0.010 . 1 . . . . 60 V C . 17125 1 533 . 1 1 60 60 VAL CA C 13 60.206 0.254 . 1 . . . . 60 V CA . 17125 1 534 . 1 1 60 60 VAL CB C 13 32.442 0.049 . 1 . . . . 60 V CB . 17125 1 535 . 1 1 60 60 VAL CG1 C 13 21.419 0.132 . 2 . . . . 60 V CG1 . 17125 1 536 . 1 1 60 60 VAL CG2 C 13 21.300 0.131 . 2 . . . . 60 V CG2 . 17125 1 537 . 1 1 60 60 VAL N N 15 126.283 0.115 . 1 . . . . 60 V N . 17125 1 538 . 1 1 61 61 VAL H H 1 8.790 0.030 . 1 . . . . 61 V HN . 17125 1 539 . 1 1 61 61 VAL HA H 1 4.784 0.011 . 1 . . . . 61 V HA . 17125 1 540 . 1 1 61 61 VAL HB H 1 1.669 0.009 . 1 . . . . 61 V HB . 17125 1 541 . 1 1 61 61 VAL HG11 H 1 0.502 0.009 . . . . . . 61 V HG1# . 17125 1 542 . 1 1 61 61 VAL HG12 H 1 0.502 0.009 . . . . . . 61 V HG1# . 17125 1 543 . 1 1 61 61 VAL HG13 H 1 0.502 0.009 . . . . . . 61 V HG1# . 17125 1 544 . 1 1 61 61 VAL HG21 H 1 -0.008 0.009 . . . . . . 61 V HG2# . 17125 1 545 . 1 1 61 61 VAL HG22 H 1 -0.008 0.009 . . . . . . 61 V HG2# . 17125 1 546 . 1 1 61 61 VAL HG23 H 1 -0.008 0.009 . . . . . . 61 V HG2# . 17125 1 547 . 1 1 61 61 VAL C C 13 174.159 0.010 . 1 . . . . 61 V C . 17125 1 548 . 1 1 61 61 VAL CA C 13 59.498 0.181 . 1 . . . . 61 V CA . 17125 1 549 . 1 1 61 61 VAL CB C 13 32.953 0.163 . 1 . . . . 61 V CB . 17125 1 550 . 1 1 61 61 VAL CG1 C 13 19.788 0.028 . 2 . . . . 61 V CG1 . 17125 1 551 . 1 1 61 61 VAL CG2 C 13 19.179 0.058 . 2 . . . . 61 V CG2 . 17125 1 552 . 1 1 61 61 VAL N N 15 126.756 0.067 . 1 . . . . 61 V N . 17125 1 553 . 1 1 62 62 LEU H H 1 8.252 0.037 . 1 . . . . 62 L HN . 17125 1 554 . 1 1 62 62 LEU HA H 1 4.830 0.022 . 1 . . . . 62 L HA . 17125 1 555 . 1 1 62 62 LEU HB2 H 1 1.622 0.008 . . . . . . 62 L HB1 . 17125 1 556 . 1 1 62 62 LEU HB3 H 1 0.780 0.015 . 2 . . . . 62 L HB2 . 17125 1 557 . 1 1 62 62 LEU HD11 H 1 0.494 0.008 . . . . . . 62 L HD# . 17125 1 558 . 1 1 62 62 LEU HD12 H 1 0.494 0.008 . . . . . . 62 L HD# . 17125 1 559 . 1 1 62 62 LEU HD13 H 1 0.494 0.008 . . . . . . 62 L HD# . 17125 1 560 . 1 1 62 62 LEU HD21 H 1 0.494 0.008 . . . . . . 62 L HD# . 17125 1 561 . 1 1 62 62 LEU HD22 H 1 0.494 0.008 . . . . . . 62 L HD# . 17125 1 562 . 1 1 62 62 LEU HD23 H 1 0.494 0.008 . . . . . . 62 L HD# . 17125 1 563 . 1 1 62 62 LEU HG H 1 1.277 0.010 . 1 . . . . 62 L HG . 17125 1 564 . 1 1 62 62 LEU C C 13 174.823 0.010 . 1 . . . . 62 L C . 17125 1 565 . 1 1 62 62 LEU CA C 13 52.746 0.019 . 1 . . . . 62 L CA . 17125 1 566 . 1 1 62 62 LEU CB C 13 42.517 0.083 . 1 . . . . 62 L CB . 17125 1 567 . 1 1 62 62 LEU CD1 C 13 23.324 0.086 . . . . . . 62 L CD . 17125 1 568 . 1 1 62 62 LEU CD2 C 13 23.324 0.086 . . . . . . 62 L CD . 17125 1 569 . 1 1 62 62 LEU CG C 13 27.203 0.066 . 1 . . . . 62 L CG . 17125 1 570 . 1 1 62 62 LEU N N 15 128.842 0.136 . 1 . . . . 62 L N . 17125 1 571 . 1 1 63 63 THR H H 1 8.562 0.029 . 1 . . . . 63 T HN . 17125 1 572 . 1 1 63 63 THR HA H 1 4.861 0.036 . 1 . . . . 63 T HA . 17125 1 573 . 1 1 63 63 THR HB H 1 3.839 0.010 . 1 . . . . 63 T HB . 17125 1 574 . 1 1 63 63 THR HG21 H 1 1.017 0.016 . . . . . . 63 T HG2# . 17125 1 575 . 1 1 63 63 THR HG22 H 1 1.017 0.016 . . . . . . 63 T HG2# . 17125 1 576 . 1 1 63 63 THR HG23 H 1 1.017 0.016 . . . . . . 63 T HG2# . 17125 1 577 . 1 1 63 63 THR CA C 13 58.553 0.153 . 1 . . . . 63 T CA . 17125 1 578 . 1 1 63 63 THR CB C 13 68.996 0.153 . 1 . . . . 63 T CB . 17125 1 579 . 1 1 63 63 THR CG2 C 13 17.372 0.080 . 1 . . . . 63 T CG2 . 17125 1 580 . 1 1 63 63 THR N N 15 120.322 0.082 . 1 . . . . 63 T N . 17125 1 581 . 1 1 64 64 HIS HA H 1 4.798 0.014 . 1 . . . . 64 H HA . 17125 1 582 . 1 1 64 64 HIS HB2 H 1 3.479 0.020 . . . . . . 64 H HB1 . 17125 1 583 . 1 1 64 64 HIS HB3 H 1 3.389 0.026 . 2 . . . . 64 H HB2 . 17125 1 584 . 1 1 64 64 HIS HD2 H 1 7.433 0.001 . 1 . . . . 64 H HD2 . 17125 1 585 . 1 1 64 64 HIS HE1 H 1 8.520 0.004 . 1 . . . . 64 H HE1 . 17125 1 586 . 1 1 64 64 HIS CB C 13 27.670 0.018 . 1 . . . . 64 H CB . 17125 1 587 . 1 1 64 64 HIS CD2 C 13 119.796 0.010 . 1 . . . . 64 H CD2 . 17125 1 588 . 1 1 65 65 GLN H H 1 8.557 0.017 . 1 . . . . 65 Q HN . 17125 1 589 . 1 1 65 65 GLN HA H 1 4.181 0.023 . 1 . . . . 65 Q HA . 17125 1 590 . 1 1 65 65 GLN HB2 H 1 2.125 0.020 . . . . . . 65 Q HB# . 17125 1 591 . 1 1 65 65 GLN HB3 H 1 2.125 0.020 . . . . . . 65 Q HB# . 17125 1 592 . 1 1 65 65 GLN HE21 H 1 7.992 0.021 . 2 . . . . 65 Q HE21 . 17125 1 593 . 1 1 65 65 GLN HE22 H 1 6.874 0.027 . 2 . . . . 65 Q HE22 . 17125 1 594 . 1 1 65 65 GLN HG2 H 1 2.429 0.009 . . . . . . 65 Q HG# . 17125 1 595 . 1 1 65 65 GLN HG3 H 1 2.429 0.009 . . . . . . 65 Q HG# . 17125 1 596 . 1 1 65 65 GLN C C 13 176.545 0.010 . 1 . . . . 65 Q C . 17125 1 597 . 1 1 65 65 GLN CA C 13 56.759 0.076 . 1 . . . . 65 Q CA . 17125 1 598 . 1 1 65 65 GLN CB C 13 27.667 0.016 . 1 . . . . 65 Q CB . 17125 1 599 . 1 1 65 65 GLN CG C 13 32.861 0.018 . 1 . . . . 65 Q CG . 17125 1 600 . 1 1 65 65 GLN N N 15 122.724 0.060 . 1 . . . . 65 Q N . 17125 1 601 . 1 1 65 65 GLN NE2 N 15 112.288 0.099 . 1 . . . . 65 Q NE2 . 17125 1 602 . 1 1 66 66 GLU H H 1 8.885 0.026 . 1 . . . . 66 E HN . 17125 1 603 . 1 1 66 66 GLU HA H 1 3.372 0.011 . 1 . . . . 66 E HA . 17125 1 604 . 1 1 66 66 GLU HB2 H 1 2.036 0.035 . . . . . . 66 E HB1 . 17125 1 605 . 1 1 66 66 GLU HB3 H 1 1.952 0.010 . 2 . . . . 66 E HB2 . 17125 1 606 . 1 1 66 66 GLU HG2 H 1 2.308 0.008 . . . . . . 66 E HG# . 17125 1 607 . 1 1 66 66 GLU HG3 H 1 2.308 0.008 . . . . . . 66 E HG# . 17125 1 608 . 1 1 66 66 GLU C C 13 176.447 0.010 . 1 . . . . 66 E C . 17125 1 609 . 1 1 66 66 GLU CA C 13 58.837 0.115 . 1 . . . . 66 E CA . 17125 1 610 . 1 1 66 66 GLU CB C 13 29.249 0.105 . 1 . . . . 66 E CB . 17125 1 611 . 1 1 66 66 GLU N N 15 128.115 0.062 . 1 . . . . 66 E N . 17125 1 612 . 1 1 67 67 ASP H H 1 8.494 0.024 . 1 . . . . 67 D HN . 17125 1 613 . 1 1 67 67 ASP HA H 1 4.763 0.011 . 1 . . . . 67 D HA . 17125 1 614 . 1 1 67 67 ASP HB2 H 1 2.948 0.005 . . . . . . 67 D HB1 . 17125 1 615 . 1 1 67 67 ASP HB3 H 1 2.735 0.012 . 2 . . . . 67 D HB2 . 17125 1 616 . 1 1 67 67 ASP C C 13 114.126 61.809 . 1 . . . . 67 D C . 17125 1 617 . 1 1 67 67 ASP CA C 13 52.491 0.242 . 1 . . . . 67 D CA . 17125 1 618 . 1 1 67 67 ASP CB C 13 39.766 0.043 . 1 . . . . 67 D CB . 17125 1 619 . 1 1 67 67 ASP N N 15 116.244 0.089 . 1 . . . . 67 D N . 17125 1 620 . 1 1 68 68 TYR H H 1 7.245 0.024 . 1 . . . . 68 Y HN . 17125 1 621 . 1 1 68 68 TYR HA H 1 4.237 0.011 . 1 . . . . 68 Y HA . 17125 1 622 . 1 1 68 68 TYR HB2 H 1 3.030 0.019 . . . . . . 68 Y HB1 . 17125 1 623 . 1 1 68 68 TYR HB3 H 1 2.704 0.012 . 2 . . . . 68 Y HB2 . 17125 1 624 . 1 1 68 68 TYR HD1 H 1 7.003 0.033 . . . . . . 68 Y HD# . 17125 1 625 . 1 1 68 68 TYR HD2 H 1 7.003 0.033 . . . . . . 68 Y HD# . 17125 1 626 . 1 1 68 68 TYR HE1 H 1 6.776 0.042 . . . . . . 68 Y HE# . 17125 1 627 . 1 1 68 68 TYR HE2 H 1 6.776 0.042 . . . . . . 68 Y HE# . 17125 1 628 . 1 1 68 68 TYR C C 13 174.660 0.010 . 1 . . . . 68 Y C . 17125 1 629 . 1 1 68 68 TYR CA C 13 60.606 0.094 . 1 . . . . 68 Y CA . 17125 1 630 . 1 1 68 68 TYR CB C 13 39.253 0.154 . 1 . . . . 68 Y CB . 17125 1 631 . 1 1 68 68 TYR CD1 C 13 132.241 0.049 . . . . . . 68 Y CD# . 17125 1 632 . 1 1 68 68 TYR CD2 C 13 132.241 0.049 . . . . . . 68 Y CD# . 17125 1 633 . 1 1 68 68 TYR CE1 C 13 118.289 0.524 . . . . . . 68 Y CE# . 17125 1 634 . 1 1 68 68 TYR CE2 C 13 118.289 0.524 . . . . . . 68 Y CE# . 17125 1 635 . 1 1 68 68 TYR N N 15 121.602 0.045 . 1 . . . . 68 Y N . 17125 1 636 . 1 1 69 69 GLN H H 1 7.777 0.028 . 1 . . . . 69 Q HN . 17125 1 637 . 1 1 69 69 GLN HA H 1 4.381 0.017 . 1 . . . . 69 Q HA . 17125 1 638 . 1 1 69 69 GLN HB2 H 1 1.969 0.012 . . . . . . 69 Q HB1 . 17125 1 639 . 1 1 69 69 GLN HB3 H 1 1.821 0.012 . 2 . . . . 69 Q HB2 . 17125 1 640 . 1 1 69 69 GLN HE21 H 1 7.489 0.019 . 2 . . . . 69 Q HE21 . 17125 1 641 . 1 1 69 69 GLN HE22 H 1 6.871 0.005 . 2 . . . . 69 Q HE22 . 17125 1 642 . 1 1 69 69 GLN HG2 H 1 2.369 0.015 . . . . . . 69 Q HG# . 17125 1 643 . 1 1 69 69 GLN HG3 H 1 2.369 0.015 . . . . . . 69 Q HG# . 17125 1 644 . 1 1 69 69 GLN C C 13 173.501 0.010 . 1 . . . . 69 Q C . 17125 1 645 . 1 1 69 69 GLN CA C 13 54.431 0.008 . 1 . . . . 69 Q CA . 17125 1 646 . 1 1 69 69 GLN CB C 13 30.719 0.064 . 1 . . . . 69 Q CB . 17125 1 647 . 1 1 69 69 GLN CG C 13 33.228 0.023 . 1 . . . . 69 Q CG . 17125 1 648 . 1 1 69 69 GLN N N 15 126.435 0.067 . 1 . . . . 69 Q N . 17125 1 649 . 1 1 69 69 GLN NE2 N 15 113.115 0.087 . 1 . . . . 69 Q NE2 . 17125 1 650 . 1 1 70 70 ALA H H 1 8.553 0.039 . 1 . . . . 70 A HN . 17125 1 651 . 1 1 70 70 ALA HA H 1 4.436 0.023 . 1 . . . . 70 A HA . 17125 1 652 . 1 1 70 70 ALA HB1 H 1 1.165 0.011 . . . . . . 70 A HB# . 17125 1 653 . 1 1 70 70 ALA HB2 H 1 1.165 0.011 . . . . . . 70 A HB# . 17125 1 654 . 1 1 70 70 ALA HB3 H 1 1.165 0.011 . . . . . . 70 A HB# . 17125 1 655 . 1 1 70 70 ALA C C 13 174.769 0.010 . 1 . . . . 70 A C . 17125 1 656 . 1 1 70 70 ALA CA C 13 51.013 0.265 . 1 . . . . 70 A CA . 17125 1 657 . 1 1 70 70 ALA CB C 13 19.697 0.134 . 1 . . . . 70 A CB . 17125 1 658 . 1 1 70 70 ALA N N 15 127.098 0.113 . 1 . . . . 70 A N . 17125 1 659 . 1 1 71 71 GLN H H 1 8.685 0.025 . 1 . . . . 71 Q HN . 17125 1 660 . 1 1 71 71 GLN HA H 1 4.177 0.010 . 1 . . . . 71 Q HA . 17125 1 661 . 1 1 71 71 GLN HB2 H 1 2.141 0.010 . . . . . . 71 Q HB# . 17125 1 662 . 1 1 71 71 GLN HB3 H 1 2.141 0.010 . . . . . . 71 Q HB# . 17125 1 663 . 1 1 71 71 GLN HG2 H 1 2.492 0.011 . . . . . . 71 Q HG# . 17125 1 664 . 1 1 71 71 GLN HG3 H 1 2.492 0.011 . . . . . . 71 Q HG# . 17125 1 665 . 1 1 71 71 GLN C C 13 177.705 0.010 . 1 . . . . 71 Q C . 17125 1 666 . 1 1 71 71 GLN CA C 13 57.983 0.055 . 1 . . . . 71 Q CA . 17125 1 667 . 1 1 71 71 GLN CB C 13 27.763 0.154 . 1 . . . . 71 Q CB . 17125 1 668 . 1 1 71 71 GLN CG C 13 33.192 0.040 . 1 . . . . 71 Q CG . 17125 1 669 . 1 1 71 71 GLN N N 15 123.790 0.085 . 1 . . . . 71 Q N . 17125 1 670 . 1 1 72 72 GLY H H 1 9.128 0.032 . 1 . . . . 72 G HN . 17125 1 671 . 1 1 72 72 GLY HA2 H 1 4.368 0.012 . . . . . . 72 G HA1 . 17125 1 672 . 1 1 72 72 GLY HA3 H 1 3.816 0.011 . 2 . . . . 72 G HA2 . 17125 1 673 . 1 1 72 72 GLY C C 13 172.547 0.010 . 1 . . . . 72 G C . 17125 1 674 . 1 1 72 72 GLY CA C 13 45.130 0.197 . 1 . . . . 72 G CA . 17125 1 675 . 1 1 72 72 GLY N N 15 113.911 0.068 . 1 . . . . 72 G N . 17125 1 676 . 1 1 73 73 ALA H H 1 8.130 0.026 . 1 . . . . 73 A HN . 17125 1 677 . 1 1 73 73 ALA HA H 1 4.932 0.010 . 1 . . . . 73 A HA . 17125 1 678 . 1 1 73 73 ALA HB1 H 1 1.233 0.013 . . . . . . 73 A HB# . 17125 1 679 . 1 1 73 73 ALA HB2 H 1 1.233 0.013 . . . . . . 73 A HB# . 17125 1 680 . 1 1 73 73 ALA HB3 H 1 1.233 0.013 . . . . . . 73 A HB# . 17125 1 681 . 1 1 73 73 ALA C C 13 175.912 0.010 . 1 . . . . 73 A C . 17125 1 682 . 1 1 73 73 ALA CA C 13 49.729 0.118 . 1 . . . . 73 A CA . 17125 1 683 . 1 1 73 73 ALA CB C 13 20.464 0.084 . 1 . . . . 73 A CB . 17125 1 684 . 1 1 73 73 ALA N N 15 123.608 0.121 . 1 . . . . 73 A N . 17125 1 685 . 1 1 74 74 VAL H H 1 8.875 0.031 . 1 . . . . 74 V HN . 17125 1 686 . 1 1 74 74 VAL HA H 1 4.075 0.010 . 1 . . . . 74 V HA . 17125 1 687 . 1 1 74 74 VAL HB H 1 1.785 0.011 . 1 . . . . 74 V HB . 17125 1 688 . 1 1 74 74 VAL HG11 H 1 0.539 0.013 . . . . . . 74 V HG1# . 17125 1 689 . 1 1 74 74 VAL HG12 H 1 0.539 0.013 . . . . . . 74 V HG1# . 17125 1 690 . 1 1 74 74 VAL HG13 H 1 0.539 0.013 . . . . . . 74 V HG1# . 17125 1 691 . 1 1 74 74 VAL HG21 H 1 0.698 0.009 . . . . . . 74 V HG2# . 17125 1 692 . 1 1 74 74 VAL HG22 H 1 0.698 0.009 . . . . . . 74 V HG2# . 17125 1 693 . 1 1 74 74 VAL HG23 H 1 0.698 0.009 . . . . . . 74 V HG2# . 17125 1 694 . 1 1 74 74 VAL C C 13 174.413 0.010 . 1 . . . . 74 V C . 17125 1 695 . 1 1 74 74 VAL CA C 13 61.935 0.367 . 1 . . . . 74 V CA . 17125 1 696 . 1 1 74 74 VAL CB C 13 32.484 0.084 . 1 . . . . 74 V CB . 17125 1 697 . 1 1 74 74 VAL CG1 C 13 19.805 0.032 . 2 . . . . 74 V CG1 . 17125 1 698 . 1 1 74 74 VAL CG2 C 13 19.755 0.118 . 2 . . . . 74 V CG2 . 17125 1 699 . 1 1 74 74 VAL N N 15 123.658 0.088 . 1 . . . . 74 V N . 17125 1 700 . 1 1 75 75 VAL H H 1 8.615 0.031 . 1 . . . . 75 V HN . 17125 1 701 . 1 1 75 75 VAL HA H 1 4.756 0.014 . 1 . . . . 75 V HA . 17125 1 702 . 1 1 75 75 VAL HB H 1 2.062 0.013 . 1 . . . . 75 V HB . 17125 1 703 . 1 1 75 75 VAL HG11 H 1 0.954 0.008 . . . . . . 75 V HG1# . 17125 1 704 . 1 1 75 75 VAL HG12 H 1 0.954 0.008 . . . . . . 75 V HG1# . 17125 1 705 . 1 1 75 75 VAL HG13 H 1 0.954 0.008 . . . . . . 75 V HG1# . 17125 1 706 . 1 1 75 75 VAL HG21 H 1 0.890 0.015 . . . . . . 75 V HG2# . 17125 1 707 . 1 1 75 75 VAL HG22 H 1 0.890 0.015 . . . . . . 75 V HG2# . 17125 1 708 . 1 1 75 75 VAL HG23 H 1 0.890 0.015 . . . . . . 75 V HG2# . 17125 1 709 . 1 1 75 75 VAL C C 13 176.156 0.010 . 1 . . . . 75 V C . 17125 1 710 . 1 1 75 75 VAL CA C 13 61.491 0.151 . 1 . . . . 75 V CA . 17125 1 711 . 1 1 75 75 VAL CB C 13 32.039 0.137 . 1 . . . . 75 V CB . 17125 1 712 . 1 1 75 75 VAL CG1 C 13 21.919 0.064 . 2 . . . . 75 V CG1 . 17125 1 713 . 1 1 75 75 VAL CG2 C 13 21.632 0.030 . 2 . . . . 75 V CG2 . 17125 1 714 . 1 1 75 75 VAL N N 15 127.798 0.072 . 1 . . . . 75 V N . 17125 1 715 . 1 1 76 76 VAL H H 1 8.892 0.029 . 1 . . . . 76 V HN . 17125 1 716 . 1 1 76 76 VAL HA H 1 4.489 0.010 . 1 . . . . 76 V HA . 17125 1 717 . 1 1 76 76 VAL HB H 1 2.287 0.010 . 1 . . . . 76 V HB . 17125 1 718 . 1 1 76 76 VAL HG11 H 1 0.750 0.012 . . . . . . 76 V HG1# . 17125 1 719 . 1 1 76 76 VAL HG12 H 1 0.750 0.012 . . . . . . 76 V HG1# . 17125 1 720 . 1 1 76 76 VAL HG13 H 1 0.750 0.012 . . . . . . 76 V HG1# . 17125 1 721 . 1 1 76 76 VAL HG21 H 1 0.625 0.014 . . . . . . 76 V HG2# . 17125 1 722 . 1 1 76 76 VAL HG22 H 1 0.625 0.014 . . . . . . 76 V HG2# . 17125 1 723 . 1 1 76 76 VAL HG23 H 1 0.625 0.014 . . . . . . 76 V HG2# . 17125 1 724 . 1 1 76 76 VAL C C 13 175.192 0.010 . 1 . . . . 76 V C . 17125 1 725 . 1 1 76 76 VAL CA C 13 58.096 0.285 . 1 . . . . 76 V CA . 17125 1 726 . 1 1 76 76 VAL CB C 13 35.187 0.145 . 1 . . . . 76 V CB . 17125 1 727 . 1 1 76 76 VAL CG1 C 13 21.548 0.034 . 2 . . . . 76 V CG1 . 17125 1 728 . 1 1 76 76 VAL CG2 C 13 18.626 0.058 . 2 . . . . 76 V CG2 . 17125 1 729 . 1 1 76 76 VAL N N 15 120.555 0.072 . 1 . . . . 76 V N . 17125 1 730 . 1 1 77 77 HIS H H 1 8.928 0.035 . 1 . . . . 77 H HN . 17125 1 731 . 1 1 77 77 HIS HA H 1 5.597 0.019 . 1 . . . . 77 H HA . 17125 1 732 . 1 1 77 77 HIS HB2 H 1 3.610 0.011 . . . . . . 77 H HB1 . 17125 1 733 . 1 1 77 77 HIS HB3 H 1 3.137 0.013 . 2 . . . . 77 H HB2 . 17125 1 734 . 1 1 77 77 HIS HD2 H 1 7.437 0.016 . 1 . . . . 77 H HD2 . 17125 1 735 . 1 1 77 77 HIS HE1 H 1 8.483 0.013 . 1 . . . . 77 H HE1 . 17125 1 736 . 1 1 77 77 HIS C C 13 173.928 0.010 . 1 . . . . 77 H C . 17125 1 737 . 1 1 77 77 HIS CA C 13 53.794 0.105 . 1 . . . . 77 H CA . 17125 1 738 . 1 1 77 77 HIS CB C 13 29.873 0.175 . 1 . . . . 77 H CB . 17125 1 739 . 1 1 77 77 HIS CD2 C 13 121.957 0.010 . 1 . . . . 77 H CD2 . 17125 1 740 . 1 1 77 77 HIS CE1 C 13 136.183 0.010 . 1 . . . . 77 H CE1 . 17125 1 741 . 1 1 77 77 HIS N N 15 113.761 0.115 . 1 . . . . 77 H N . 17125 1 742 . 1 1 78 78 ASP H H 1 7.422 0.028 . 1 . . . . 78 D HN . 17125 1 743 . 1 1 78 78 ASP HA H 1 4.657 0.019 . 1 . . . . 78 D HA . 17125 1 744 . 1 1 78 78 ASP HB2 H 1 3.058 0.015 . . . . . . 78 D HB# . 17125 1 745 . 1 1 78 78 ASP HB3 H 1 3.058 0.015 . . . . . . 78 D HB# . 17125 1 746 . 1 1 78 78 ASP C C 13 174.770 0.010 . 1 . . . . 78 D C . 17125 1 747 . 1 1 78 78 ASP CA C 13 52.870 0.004 . 1 . . . . 78 D CA . 17125 1 748 . 1 1 78 78 ASP CB C 13 42.646 0.114 . 1 . . . . 78 D CB . 17125 1 749 . 1 1 78 78 ASP N N 15 115.056 0.153 . 1 . . . . 78 D N . 17125 1 750 . 1 1 79 79 VAL H H 1 8.432 0.034 . 1 . . . . 79 V HN . 17125 1 751 . 1 1 79 79 VAL HA H 1 3.476 0.013 . 1 . . . . 79 V HA . 17125 1 752 . 1 1 79 79 VAL HB H 1 1.890 0.012 . 1 . . . . 79 V HB . 17125 1 753 . 1 1 79 79 VAL HG11 H 1 0.680 0.011 . . . . . . 79 V HG# . 17125 1 754 . 1 1 79 79 VAL HG12 H 1 0.680 0.011 . . . . . . 79 V HG# . 17125 1 755 . 1 1 79 79 VAL HG13 H 1 0.680 0.011 . . . . . . 79 V HG# . 17125 1 756 . 1 1 79 79 VAL HG21 H 1 0.680 0.011 . . . . . . 79 V HG# . 17125 1 757 . 1 1 79 79 VAL HG22 H 1 0.680 0.011 . . . . . . 79 V HG# . 17125 1 758 . 1 1 79 79 VAL HG23 H 1 0.680 0.011 . . . . . . 79 V HG# . 17125 1 759 . 1 1 79 79 VAL C C 13 177.904 0.010 . 1 . . . . 79 V C . 17125 1 760 . 1 1 79 79 VAL CA C 13 66.065 0.111 . 1 . . . . 79 V CA . 17125 1 761 . 1 1 79 79 VAL CB C 13 31.560 0.129 . 1 . . . . 79 V CB . 17125 1 762 . 1 1 79 79 VAL CG1 C 13 21.855 0.239 . 2 . . . . 79 V CG1 . 17125 1 763 . 1 1 79 79 VAL CG2 C 13 21.203 0.061 . 2 . . . . 79 V CG2 . 17125 1 764 . 1 1 79 79 VAL N N 15 119.131 0.135 . 1 . . . . 79 V N . 17125 1 765 . 1 1 80 80 ALA H H 1 8.484 0.016 . 1 . . . . 80 A HN . 17125 1 766 . 1 1 80 80 ALA HA H 1 4.421 0.019 . 1 . . . . 80 A HA . 17125 1 767 . 1 1 80 80 ALA HB1 H 1 1.606 0.009 . . . . . . 80 A HB# . 17125 1 768 . 1 1 80 80 ALA HB2 H 1 1.606 0.009 . . . . . . 80 A HB# . 17125 1 769 . 1 1 80 80 ALA HB3 H 1 1.606 0.009 . . . . . . 80 A HB# . 17125 1 770 . 1 1 80 80 ALA C C 13 71.681 77.396 . 1 . . . . 80 A C . 17125 1 771 . 1 1 80 80 ALA CA C 13 55.370 0.132 . 1 . . . . 80 A CA . 17125 1 772 . 1 1 80 80 ALA CB C 13 17.002 0.164 . 1 . . . . 80 A CB . 17125 1 773 . 1 1 80 80 ALA N N 15 123.535 0.048 . 1 . . . . 80 A N . 17125 1 774 . 1 1 81 81 ALA H H 1 8.417 0.015 . 1 . . . . 81 A HN . 17125 1 775 . 1 1 81 81 ALA HA H 1 4.395 0.041 . 1 . . . . 81 A HA . 17125 1 776 . 1 1 81 81 ALA HB1 H 1 1.750 0.017 . . . . . . 81 A HB# . 17125 1 777 . 1 1 81 81 ALA HB2 H 1 1.750 0.017 . . . . . . 81 A HB# . 17125 1 778 . 1 1 81 81 ALA HB3 H 1 1.750 0.017 . . . . . . 81 A HB# . 17125 1 779 . 1 1 81 81 ALA C C 13 181.638 0.010 . 1 . . . . 81 A C . 17125 1 780 . 1 1 81 81 ALA CA C 13 54.940 0.072 . 1 . . . . 81 A CA . 17125 1 781 . 1 1 81 81 ALA CB C 13 18.834 0.079 . 1 . . . . 81 A CB . 17125 1 782 . 1 1 81 81 ALA N N 15 120.980 0.104 . 1 . . . . 81 A N . 17125 1 783 . 1 1 82 82 VAL H H 1 7.809 0.038 . 1 . . . . 82 V HN . 17125 1 784 . 1 1 82 82 VAL HA H 1 3.624 0.012 . 1 . . . . 82 V HA . 17125 1 785 . 1 1 82 82 VAL HB H 1 2.607 0.016 . 1 . . . . 82 V HB . 17125 1 786 . 1 1 82 82 VAL HG11 H 1 0.867 0.019 . . . . . . 82 V HG1# . 17125 1 787 . 1 1 82 82 VAL HG12 H 1 0.867 0.019 . . . . . . 82 V HG1# . 17125 1 788 . 1 1 82 82 VAL HG13 H 1 0.867 0.019 . . . . . . 82 V HG1# . 17125 1 789 . 1 1 82 82 VAL HG21 H 1 1.192 0.007 . . . . . . 82 V HG2# . 17125 1 790 . 1 1 82 82 VAL HG22 H 1 1.192 0.007 . . . . . . 82 V HG2# . 17125 1 791 . 1 1 82 82 VAL HG23 H 1 1.192 0.007 . . . . . . 82 V HG2# . 17125 1 792 . 1 1 82 82 VAL C C 13 177.741 0.010 . 1 . . . . 82 V C . 17125 1 793 . 1 1 82 82 VAL CA C 13 66.940 0.143 . 1 . . . . 82 V CA . 17125 1 794 . 1 1 82 82 VAL CB C 13 30.528 0.060 . 1 . . . . 82 V CB . 17125 1 795 . 1 1 82 82 VAL CG1 C 13 22.125 0.104 . 2 . . . . 82 V CG1 . 17125 1 796 . 1 1 82 82 VAL CG2 C 13 23.658 0.138 . 2 . . . . 82 V CG2 . 17125 1 797 . 1 1 82 82 VAL N N 15 120.581 0.030 . 1 . . . . 82 V N . 17125 1 798 . 1 1 83 83 PHE H H 1 7.974 0.036 . 1 . . . . 83 F HN . 17125 1 799 . 1 1 83 83 PHE HA H 1 4.635 0.016 . 1 . . . . 83 F HA . 17125 1 800 . 1 1 83 83 PHE HB2 H 1 3.435 0.016 . . . . . . 83 F HB1 . 17125 1 801 . 1 1 83 83 PHE HB3 H 1 3.107 0.017 . 2 . . . . 83 F HB2 . 17125 1 802 . 1 1 83 83 PHE HD1 H 1 7.483 0.020 . . . . . . 83 F HD# . 17125 1 803 . 1 1 83 83 PHE HD2 H 1 7.483 0.020 . . . . . . 83 F HD# . 17125 1 804 . 1 1 83 83 PHE HE1 H 1 7.586 0.010 . . . . . . 83 F HE# . 17125 1 805 . 1 1 83 83 PHE HE2 H 1 7.586 0.010 . . . . . . 83 F HE# . 17125 1 806 . 1 1 83 83 PHE C C 13 178.859 0.010 . 1 . . . . 83 F C . 17125 1 807 . 1 1 83 83 PHE CA C 13 61.754 0.324 . 1 . . . . 83 F CA . 17125 1 808 . 1 1 83 83 PHE CB C 13 37.883 0.096 . 1 . . . . 83 F CB . 17125 1 809 . 1 1 83 83 PHE CD1 C 13 130.804 0.040 . . . . . . 83 F CD# . 17125 1 810 . 1 1 83 83 PHE CD2 C 13 130.804 0.040 . . . . . . 83 F CD# . 17125 1 811 . 1 1 83 83 PHE N N 15 118.096 0.054 . 1 . . . . 83 F N . 17125 1 812 . 1 1 84 84 ALA H H 1 8.801 0.029 . 1 . . . . 84 A HN . 17125 1 813 . 1 1 84 84 ALA HA H 1 4.349 0.019 . 1 . . . . 84 A HA . 17125 1 814 . 1 1 84 84 ALA HB1 H 1 1.675 0.008 . . . . . . 84 A HB# . 17125 1 815 . 1 1 84 84 ALA HB2 H 1 1.675 0.008 . . . . . . 84 A HB# . 17125 1 816 . 1 1 84 84 ALA HB3 H 1 1.675 0.008 . . . . . . 84 A HB# . 17125 1 817 . 1 1 84 84 ALA C C 13 180.048 0.010 . 1 . . . . 84 A C . 17125 1 818 . 1 1 84 84 ALA CA C 13 55.342 0.003 . 1 . . . . 84 A CA . 17125 1 819 . 1 1 84 84 ALA CB C 13 17.664 0.149 . 1 . . . . 84 A CB . 17125 1 820 . 1 1 84 84 ALA N N 15 122.976 0.064 . 1 . . . . 84 A N . 17125 1 821 . 1 1 85 85 TYR H H 1 7.895 0.029 . 1 . . . . 85 Y HN . 17125 1 822 . 1 1 85 85 TYR HA H 1 4.246 0.014 . 1 . . . . 85 Y HA . 17125 1 823 . 1 1 85 85 TYR HB2 H 1 3.363 0.008 . . . . . . 85 Y HB1 . 17125 1 824 . 1 1 85 85 TYR HB3 H 1 3.267 0.020 . 2 . . . . 85 Y HB2 . 17125 1 825 . 1 1 85 85 TYR HD1 H 1 7.105 0.025 . . . . . . 85 Y HD# . 17125 1 826 . 1 1 85 85 TYR HD2 H 1 7.105 0.025 . . . . . . 85 Y HD# . 17125 1 827 . 1 1 85 85 TYR HE1 H 1 6.654 0.012 . . . . . . 85 Y HE# . 17125 1 828 . 1 1 85 85 TYR HE2 H 1 6.654 0.012 . . . . . . 85 Y HE# . 17125 1 829 . 1 1 85 85 TYR C C 13 178.961 0.010 . 1 . . . . 85 Y C . 17125 1 830 . 1 1 85 85 TYR CA C 13 62.285 0.150 . 1 . . . . 85 Y CA . 17125 1 831 . 1 1 85 85 TYR CB C 13 38.037 0.121 . 1 . . . . 85 Y CB . 17125 1 832 . 1 1 85 85 TYR CD1 C 13 132.033 0.051 . . . . . . 85 Y CD# . 17125 1 833 . 1 1 85 85 TYR CD2 C 13 132.033 0.051 . . . . . . 85 Y CD# . 17125 1 834 . 1 1 85 85 TYR CE1 C 13 117.819 0.492 . . . . . . 85 Y CE# . 17125 1 835 . 1 1 85 85 TYR CE2 C 13 117.819 0.492 . . . . . . 85 Y CE# . 17125 1 836 . 1 1 85 85 TYR N N 15 120.554 0.032 . 1 . . . . 85 Y N . 17125 1 837 . 1 1 86 86 ALA H H 1 8.974 0.022 . 1 . . . . 86 A HN . 17125 1 838 . 1 1 86 86 ALA HA H 1 4.052 0.014 . 1 . . . . 86 A HA . 17125 1 839 . 1 1 86 86 ALA HB1 H 1 1.851 0.013 . . . . . . 86 A HB# . 17125 1 840 . 1 1 86 86 ALA HB2 H 1 1.851 0.013 . . . . . . 86 A HB# . 17125 1 841 . 1 1 86 86 ALA HB3 H 1 1.851 0.013 . . . . . . 86 A HB# . 17125 1 842 . 1 1 86 86 ALA C C 13 180.644 0.010 . 1 . . . . 86 A C . 17125 1 843 . 1 1 86 86 ALA CA C 13 55.511 0.175 . 1 . . . . 86 A CA . 17125 1 844 . 1 1 86 86 ALA CB C 13 17.729 0.121 . 1 . . . . 86 A CB . 17125 1 845 . 1 1 86 86 ALA N N 15 123.178 0.108 . 1 . . . . 86 A N . 17125 1 846 . 1 1 87 87 LYS H H 1 8.305 0.026 . 1 . . . . 87 K HN . 17125 1 847 . 1 1 87 87 LYS HA H 1 4.174 0.012 . 1 . . . . 87 K HA . 17125 1 848 . 1 1 87 87 LYS HB2 H 1 2.084 0.010 . . . . . . 87 K HB# . 17125 1 849 . 1 1 87 87 LYS HB3 H 1 2.084 0.010 . . . . . . 87 K HB# . 17125 1 850 . 1 1 87 87 LYS HD2 H 1 1.851 0.030 . . . . . . 87 K HD# . 17125 1 851 . 1 1 87 87 LYS HD3 H 1 1.851 0.030 . . . . . . 87 K HD# . 17125 1 852 . 1 1 87 87 LYS HE2 H 1 3.084 0.008 . . . . . . 87 K HE# . 17125 1 853 . 1 1 87 87 LYS HE3 H 1 3.084 0.008 . . . . . . 87 K HE# . 17125 1 854 . 1 1 87 87 LYS HG2 H 1 1.770 0.009 . . . . . . 87 K HG1 . 17125 1 855 . 1 1 87 87 LYS HG3 H 1 1.656 0.004 . 2 . . . . 87 K HG2 . 17125 1 856 . 1 1 87 87 LYS C C 13 178.276 0.010 . 1 . . . . 87 K C . 17125 1 857 . 1 1 87 87 LYS CA C 13 58.770 0.114 . 1 . . . . 87 K CA . 17125 1 858 . 1 1 87 87 LYS CB C 13 32.247 0.097 . 1 . . . . 87 K CB . 17125 1 859 . 1 1 87 87 LYS CD C 13 28.892 0.011 . 1 . . . . 87 K CD . 17125 1 860 . 1 1 87 87 LYS CE C 13 41.703 0.060 . 1 . . . . 87 K CE . 17125 1 861 . 1 1 87 87 LYS CG C 13 25.139 0.066 . 1 . . . . 87 K CG . 17125 1 862 . 1 1 87 87 LYS N N 15 118.129 0.035 . 1 . . . . 87 K N . 17125 1 863 . 1 1 88 88 GLN H H 1 7.321 0.025 . 1 . . . . 88 Q HN . 17125 1 864 . 1 1 88 88 GLN HA H 1 4.180 0.016 . 1 . . . . 88 Q HA . 17125 1 865 . 1 1 88 88 GLN HB2 H 1 1.956 0.005 . . . . . . 88 Q HB# . 17125 1 866 . 1 1 88 88 GLN HB3 H 1 1.956 0.005 . . . . . . 88 Q HB# . 17125 1 867 . 1 1 88 88 GLN HE21 H 1 6.927 0.007 . 2 . . . . 88 Q HE21 . 17125 1 868 . 1 1 88 88 GLN HE22 H 1 7.421 0.018 . 2 . . . . 88 Q HE22 . 17125 1 869 . 1 1 88 88 GLN HG2 H 1 2.521 0.014 . . . . . . 88 Q HG1 . 17125 1 870 . 1 1 88 88 GLN HG3 H 1 2.406 0.023 . 2 . . . . 88 Q HG2 . 17125 1 871 . 1 1 88 88 GLN C C 13 174.804 0.010 . 1 . . . . 88 Q C . 17125 1 872 . 1 1 88 88 GLN CA C 13 55.934 0.135 . 1 . . . . 88 Q CA . 17125 1 873 . 1 1 88 88 GLN CB C 13 28.705 0.090 . 1 . . . . 88 Q CB . 17125 1 874 . 1 1 88 88 GLN CG C 13 32.886 0.032 . 1 . . . . 88 Q CG . 17125 1 875 . 1 1 88 88 GLN N N 15 114.885 0.069 . 1 . . . . 88 Q N . 17125 1 876 . 1 1 88 88 GLN NE2 N 15 112.199 0.076 . 1 . . . . 88 Q NE2 . 17125 1 877 . 1 1 89 89 HIS H H 1 7.644 0.031 . 1 . . . . 89 H HN . 17125 1 878 . 1 1 89 89 HIS HA H 1 4.892 0.009 . 1 . . . . 89 H HA . 17125 1 879 . 1 1 89 89 HIS HB2 H 1 3.615 0.008 . . . . . . 89 H HB1 . 17125 1 880 . 1 1 89 89 HIS HB3 H 1 2.787 0.013 . 2 . . . . 89 H HB2 . 17125 1 881 . 1 1 89 89 HIS HD2 H 1 6.627 0.010 . 1 . . . . 89 H HD2 . 17125 1 882 . 1 1 89 89 HIS HE1 H 1 8.397 0.013 . 1 . . . . 89 H HE1 . 17125 1 883 . 1 1 89 89 HIS CA C 13 53.530 0.065 . 1 . . . . 89 H CA . 17125 1 884 . 1 1 89 89 HIS CB C 13 28.947 0.015 . 1 . . . . 89 H CB . 17125 1 885 . 1 1 89 89 HIS CD2 C 13 120.176 0.010 . 1 . . . . 89 H CD2 . 17125 1 886 . 1 1 89 89 HIS CE1 C 13 135.759 0.010 . 1 . . . . 89 H CE1 . 17125 1 887 . 1 1 89 89 HIS N N 15 118.136 0.141 . 1 . . . . 89 H N . 17125 1 888 . 1 1 90 90 PRO HA H 1 4.640 0.007 . 1 . . . . 90 P HA . 17125 1 889 . 1 1 90 90 PRO HB2 H 1 2.198 0.008 . . . . . . 90 P HB1 . 17125 1 890 . 1 1 90 90 PRO HB3 H 1 2.362 0.009 . 2 . . . . 90 P HB2 . 17125 1 891 . 1 1 90 90 PRO HD2 H 1 3.414 0.026 . . . . . . 90 P HD1 . 17125 1 892 . 1 1 90 90 PRO HD3 H 1 3.599 0.024 . 2 . . . . 90 P HD2 . 17125 1 893 . 1 1 90 90 PRO HG2 H 1 1.986 0.009 . . . . . . 90 P HG1 . 17125 1 894 . 1 1 90 90 PRO HG3 H 1 2.098 0.018 . 2 . . . . 90 P HG2 . 17125 1 895 . 1 1 90 90 PRO C C 13 176.543 0.010 . 1 . . . . 90 P C . 17125 1 896 . 1 1 90 90 PRO CA C 13 64.370 0.089 . 1 . . . . 90 P CA . 17125 1 897 . 1 1 90 90 PRO CB C 13 31.597 0.044 . 1 . . . . 90 P CB . 17125 1 898 . 1 1 90 90 PRO CD C 13 49.776 0.062 . 1 . . . . 90 P CD . 17125 1 899 . 1 1 90 90 PRO CG C 13 26.514 0.136 . 1 . . . . 90 P CG . 17125 1 900 . 1 1 91 91 ASP H H 1 8.997 0.030 . 1 . . . . 91 D HN . 17125 1 901 . 1 1 91 91 ASP HA H 1 4.626 0.012 . 1 . . . . 91 D HA . 17125 1 902 . 1 1 91 91 ASP HB2 H 1 2.839 0.019 . . . . . . 91 D HB# . 17125 1 903 . 1 1 91 91 ASP HB3 H 1 2.839 0.019 . . . . . . 91 D HB# . 17125 1 904 . 1 1 91 91 ASP C C 13 175.546 0.010 . 1 . . . . 91 D C . 17125 1 905 . 1 1 91 91 ASP CA C 13 54.239 0.010 . 1 . . . . 91 D CA . 17125 1 906 . 1 1 91 91 ASP CB C 13 39.664 0.141 . 1 . . . . 91 D CB . 17125 1 907 . 1 1 91 91 ASP N N 15 117.048 0.062 . 1 . . . . 91 D N . 17125 1 908 . 1 1 92 92 GLN H H 1 7.970 0.034 . 1 . . . . 92 Q HN . 17125 1 909 . 1 1 92 92 GLN HA H 1 4.967 0.014 . 1 . . . . 92 Q HA . 17125 1 910 . 1 1 92 92 GLN HB2 H 1 2.115 0.014 . . . . . . 92 Q HB# . 17125 1 911 . 1 1 92 92 GLN HB3 H 1 2.115 0.014 . . . . . . 92 Q HB# . 17125 1 912 . 1 1 92 92 GLN HE21 H 1 7.018 0.030 . 2 . . . . 92 Q HE21 . 17125 1 913 . 1 1 92 92 GLN HE22 H 1 6.267 0.021 . 2 . . . . 92 Q HE22 . 17125 1 914 . 1 1 92 92 GLN HG2 H 1 2.470 0.016 . . . . . . 92 Q HG1 . 17125 1 915 . 1 1 92 92 GLN HG3 H 1 2.320 0.012 . 2 . . . . 92 Q HG2 . 17125 1 916 . 1 1 92 92 GLN CA C 13 55.003 0.010 . 1 . . . . 92 Q CA . 17125 1 917 . 1 1 92 92 GLN CB C 13 33.284 0.130 . 1 . . . . 92 Q CB . 17125 1 918 . 1 1 92 92 GLN CG C 13 35.217 0.047 . 1 . . . . 92 Q CG . 17125 1 919 . 1 1 92 92 GLN N N 15 119.516 0.069 . 1 . . . . 92 Q N . 17125 1 920 . 1 1 92 92 GLN NE2 N 15 108.557 0.033 . . . . . . 92 Q NE . 17125 1 921 . 1 1 93 93 GLU H H 1 8.581 0.035 . 1 . . . . 93 E HN . 17125 1 922 . 1 1 94 94 LEU H H 1 8.758 0.003 . 1 . . . . 94 L HN . 17125 1 923 . 1 1 94 94 LEU HA H 1 5.101 0.010 . 1 . . . . 94 L HA . 17125 1 924 . 1 1 94 94 LEU HB2 H 1 1.806 0.010 . . . . . . 94 L HB1 . 17125 1 925 . 1 1 94 94 LEU HB3 H 1 1.640 0.017 . 2 . . . . 94 L HB2 . 17125 1 926 . 1 1 94 94 LEU HD11 H 1 0.871 0.010 . . . . . . 94 L HD# . 17125 1 927 . 1 1 94 94 LEU HD12 H 1 0.871 0.010 . . . . . . 94 L HD# . 17125 1 928 . 1 1 94 94 LEU HD13 H 1 0.871 0.010 . . . . . . 94 L HD# . 17125 1 929 . 1 1 94 94 LEU HD21 H 1 0.871 0.010 . . . . . . 94 L HD# . 17125 1 930 . 1 1 94 94 LEU HD22 H 1 0.871 0.010 . . . . . . 94 L HD# . 17125 1 931 . 1 1 94 94 LEU HD23 H 1 0.871 0.010 . . . . . . 94 L HD# . 17125 1 932 . 1 1 94 94 LEU HG H 1 1.302 0.002 . 1 . . . . 94 L HG . 17125 1 933 . 1 1 94 94 LEU C C 13 176.474 0.010 . 1 . . . . 94 L C . 17125 1 934 . 1 1 94 94 LEU CA C 13 54.460 0.278 . 1 . . . . 94 L CA . 17125 1 935 . 1 1 94 94 LEU CB C 13 44.642 0.071 . 1 . . . . 94 L CB . 17125 1 936 . 1 1 94 94 LEU CD1 C 13 25.266 0.104 . . . . . . 94 L CD# . 17125 1 937 . 1 1 94 94 LEU CD2 C 13 25.266 0.104 . . . . . . 94 L CD# . 17125 1 938 . 1 1 95 95 VAL H H 1 9.600 0.030 . 1 . . . . 95 V HN . 17125 1 939 . 1 1 95 95 VAL HA H 1 4.927 0.014 . 1 . . . . 95 V HA . 17125 1 940 . 1 1 95 95 VAL HB H 1 1.944 0.025 . 1 . . . . 95 V HB . 17125 1 941 . 1 1 95 95 VAL HG11 H 1 0.978 0.028 . . . . . . 95 V HG# . 17125 1 942 . 1 1 95 95 VAL HG12 H 1 0.978 0.028 . . . . . . 95 V HG# . 17125 1 943 . 1 1 95 95 VAL HG13 H 1 0.978 0.028 . . . . . . 95 V HG# . 17125 1 944 . 1 1 95 95 VAL HG21 H 1 0.978 0.028 . . . . . . 95 V HG# . 17125 1 945 . 1 1 95 95 VAL HG22 H 1 0.978 0.028 . . . . . . 95 V HG# . 17125 1 946 . 1 1 95 95 VAL HG23 H 1 0.978 0.028 . . . . . . 95 V HG# . 17125 1 947 . 1 1 95 95 VAL C C 13 172.493 0.010 . 1 . . . . 95 V C . 17125 1 948 . 1 1 95 95 VAL CA C 13 60.801 0.230 . 1 . . . . 95 V CA . 17125 1 949 . 1 1 95 95 VAL CB C 13 34.323 0.076 . 1 . . . . 95 V CB . 17125 1 950 . 1 1 95 95 VAL CG1 C 13 21.430 0.079 . . . . . . 95 V CG# . 17125 1 951 . 1 1 95 95 VAL CG2 C 13 21.430 0.079 . . . . . . 95 V CG# . 17125 1 952 . 1 1 95 95 VAL N N 15 126.818 0.036 . 1 . . . . 95 V N . 17125 1 953 . 1 1 96 96 ILE H H 1 9.868 0.033 . 1 . . . . 96 I HN . 17125 1 954 . 1 1 96 96 ILE HA H 1 4.646 0.011 . 1 . . . . 96 I HA . 17125 1 955 . 1 1 96 96 ILE HB H 1 2.622 0.011 . 1 . . . . 96 I HB . 17125 1 956 . 1 1 96 96 ILE HD11 H 1 0.023 0.015 . . . . . . 96 I HD1# . 17125 1 957 . 1 1 96 96 ILE HD12 H 1 0.023 0.015 . . . . . . 96 I HD1# . 17125 1 958 . 1 1 96 96 ILE HD13 H 1 0.023 0.015 . . . . . . 96 I HD1# . 17125 1 959 . 1 1 96 96 ILE HG12 H 1 1.476 0.007 . . . . . . 96 I HG11 . 17125 1 960 . 1 1 96 96 ILE HG13 H 1 0.981 0.008 . 2 . . . . 96 I HG12 . 17125 1 961 . 1 1 96 96 ILE HG21 H 1 0.609 0.007 . . . . . . 96 I HG2# . 17125 1 962 . 1 1 96 96 ILE HG22 H 1 0.609 0.007 . . . . . . 96 I HG2# . 17125 1 963 . 1 1 96 96 ILE HG23 H 1 0.609 0.007 . . . . . . 96 I HG2# . 17125 1 964 . 1 1 96 96 ILE C C 13 175.969 0.010 . 1 . . . . 96 I C . 17125 1 965 . 1 1 96 96 ILE CA C 13 58.799 0.026 . 1 . . . . 96 I CA . 17125 1 966 . 1 1 96 96 ILE CB C 13 36.198 0.034 . 1 . . . . 96 I CB . 17125 1 967 . 1 1 96 96 ILE CD1 C 13 9.763 0.035 . 1 . . . . 96 I CD1 . 17125 1 968 . 1 1 96 96 ILE CG1 C 13 27.567 0.061 . 1 . . . . 96 I CG1 . 17125 1 969 . 1 1 96 96 ILE CG2 C 13 20.075 0.040 . 1 . . . . 96 I CG2 . 17125 1 970 . 1 1 96 96 ILE N N 15 128.678 0.235 . 1 . . . . 96 I N . 17125 1 971 . 1 1 97 97 ALA H H 1 9.101 0.037 . 1 . . . . 97 A HN . 17125 1 972 . 1 1 97 97 ALA HA H 1 5.847 0.015 . 1 . . . . 97 A HA . 17125 1 973 . 1 1 97 97 ALA HB1 H 1 1.687 0.009 . . . . . . 97 A HB# . 17125 1 974 . 1 1 97 97 ALA HB2 H 1 1.687 0.009 . . . . . . 97 A HB# . 17125 1 975 . 1 1 97 97 ALA HB3 H 1 1.687 0.009 . . . . . . 97 A HB# . 17125 1 976 . 1 1 97 97 ALA CA C 13 50.565 0.012 . 1 . . . . 97 A CA . 17125 1 977 . 1 1 97 97 ALA CB C 13 18.948 0.121 . 1 . . . . 97 A CB . 17125 1 978 . 1 1 97 97 ALA N N 15 128.685 0.065 . 1 . . . . 97 A N . 17125 1 979 . 1 1 98 98 GLY H H 1 5.958 0.028 . 1 . . . . 98 G HN . 17125 1 980 . 1 1 98 98 GLY HA2 H 1 2.355 0.013 . . . . . . 98 G HA1 . 17125 1 981 . 1 1 98 98 GLY HA3 H 1 4.119 0.014 . 2 . . . . 98 G HA2 . 17125 1 982 . 1 1 98 98 GLY C C 13 173.800 0.010 . 1 . . . . 98 G C . 17125 1 983 . 1 1 98 98 GLY CA C 13 42.404 0.179 . 1 . . . . 98 G CA . 17125 1 984 . 1 1 98 98 GLY N N 15 103.721 0.056 . 1 . . . . 98 G N . 17125 1 985 . 1 1 99 99 GLY H H 1 7.635 0.024 . 1 . . . . 99 G HN . 17125 1 986 . 1 1 99 99 GLY HA2 H 1 4.098 0.010 . . . . . . 99 G HA1 . 17125 1 987 . 1 1 99 99 GLY HA3 H 1 4.069 0.029 . 2 . . . . 99 G HA2 . 17125 1 988 . 1 1 99 99 GLY C C 13 175.130 0.010 . 1 . . . . 99 G C . 17125 1 989 . 1 1 99 99 GLY CA C 13 45.689 0.016 . 1 . . . . 99 G CA . 17125 1 990 . 1 1 99 99 GLY N N 15 107.681 0.100 . 1 . . . . 99 G N . 17125 1 991 . 1 1 100 100 ALA H H 1 9.294 0.030 . 1 . . . . 100 A HN . 17125 1 992 . 1 1 100 100 ALA HA H 1 4.116 0.016 . 1 . . . . 100 A HA . 17125 1 993 . 1 1 100 100 ALA HB1 H 1 1.580 0.009 . . . . . . 100 A HB# . 17125 1 994 . 1 1 100 100 ALA HB2 H 1 1.580 0.009 . . . . . . 100 A HB# . 17125 1 995 . 1 1 100 100 ALA HB3 H 1 1.580 0.009 . . . . . . 100 A HB# . 17125 1 996 . 1 1 100 100 ALA C C 13 178.630 0.010 . 1 . . . . 100 A C . 17125 1 997 . 1 1 100 100 ALA CA C 13 56.767 0.099 . 1 . . . . 100 A CA . 17125 1 998 . 1 1 100 100 ALA CB C 13 18.034 0.050 . 1 . . . . 100 A CB . 17125 1 999 . 1 1 100 100 ALA N N 15 124.306 0.051 . 1 . . . . 100 A N . 17125 1 1000 . 1 1 101 101 GLN H H 1 9.099 0.027 . 1 . . . . 101 Q HN . 17125 1 1001 . 1 1 101 101 GLN HA H 1 4.246 0.019 . 1 . . . . 101 Q HA . 17125 1 1002 . 1 1 101 101 GLN HB2 H 1 2.195 0.007 . . . . . . 101 Q HB# . 17125 1 1003 . 1 1 101 101 GLN HB3 H 1 2.195 0.007 . . . . . . 101 Q HB# . 17125 1 1004 . 1 1 101 101 GLN HE21 H 1 7.770 0.032 . 2 . . . . 101 Q HE21 . 17125 1 1005 . 1 1 101 101 GLN HE22 H 1 7.263 0.041 . 2 . . . . 101 Q HE22 . 17125 1 1006 . 1 1 101 101 GLN HG2 H 1 2.641 0.013 . . . . . . 101 Q HG1 . 17125 1 1007 . 1 1 101 101 GLN HG3 H 1 2.477 0.013 . 2 . . . . 101 Q HG2 . 17125 1 1008 . 1 1 101 101 GLN C C 13 178.154 0.010 . 1 . . . . 101 Q C . 17125 1 1009 . 1 1 101 101 GLN CA C 13 58.836 0.236 . 1 . . . . 101 Q CA . 17125 1 1010 . 1 1 101 101 GLN CB C 13 27.631 0.075 . 1 . . . . 101 Q CB . 17125 1 1011 . 1 1 101 101 GLN CG C 13 33.737 0.023 . 1 . . . . 101 Q CG . 17125 1 1012 . 1 1 101 101 GLN N N 15 115.827 0.133 . 1 . . . . 101 Q N . 17125 1 1013 . 1 1 101 101 GLN NE2 N 15 113.545 0.040 . . . . . . 101 Q NE . 17125 1 1014 . 1 1 102 102 ILE H H 1 7.347 0.021 . 1 . . . . 102 I HN . 17125 1 1015 . 1 1 102 102 ILE HA H 1 3.908 0.019 . 1 . . . . 102 I HA . 17125 1 1016 . 1 1 102 102 ILE HB H 1 1.913 0.015 . 1 . . . . 102 I HB . 17125 1 1017 . 1 1 102 102 ILE HD11 H 1 0.741 0.014 . . . . . . 102 I HD1# . 17125 1 1018 . 1 1 102 102 ILE HD12 H 1 0.741 0.014 . . . . . . 102 I HD1# . 17125 1 1019 . 1 1 102 102 ILE HD13 H 1 0.741 0.014 . . . . . . 102 I HD1# . 17125 1 1020 . 1 1 102 102 ILE HG12 H 1 1.564 0.014 . . . . . . 102 I HG11 . 17125 1 1021 . 1 1 102 102 ILE HG13 H 1 1.325 0.017 . 2 . . . . 102 I HG12 . 17125 1 1022 . 1 1 102 102 ILE HG21 H 1 0.774 0.004 . . . . . . 102 I HG2# . 17125 1 1023 . 1 1 102 102 ILE HG22 H 1 0.774 0.004 . . . . . . 102 I HG2# . 17125 1 1024 . 1 1 102 102 ILE HG23 H 1 0.774 0.004 . . . . . . 102 I HG2# . 17125 1 1025 . 1 1 102 102 ILE C C 13 178.065 0.010 . 1 . . . . 102 I C . 17125 1 1026 . 1 1 102 102 ILE CA C 13 61.206 0.010 . 1 . . . . 102 I CA . 17125 1 1027 . 1 1 102 102 ILE CB C 13 34.366 0.029 . 1 . . . . 102 I CB . 17125 1 1028 . 1 1 102 102 ILE CD1 C 13 8.675 0.025 . 1 . . . . 102 I CD1 . 17125 1 1029 . 1 1 102 102 ILE CG2 C 13 17.673 0.076 . 1 . . . . 102 I CG2 . 17125 1 1030 . 1 1 102 102 ILE N N 15 122.344 0.111 . 1 . . . . 102 I N . 17125 1 1031 . 1 1 103 103 PHE H H 1 7.818 0.021 . 1 . . . . 103 F HN . 17125 1 1032 . 1 1 103 103 PHE HA H 1 4.119 0.014 . 1 . . . . 103 F HA . 17125 1 1033 . 1 1 103 103 PHE HB2 H 1 2.839 0.014 . . . . . . 103 F HB1 . 17125 1 1034 . 1 1 103 103 PHE HB3 H 1 2.610 0.009 . 2 . . . . 103 F HB2 . 17125 1 1035 . 1 1 103 103 PHE HD1 H 1 5.941 0.021 . . . . . . 103 F HD# . 17125 1 1036 . 1 1 103 103 PHE HD2 H 1 5.941 0.021 . . . . . . 103 F HD# . 17125 1 1037 . 1 1 103 103 PHE HE1 H 1 7.139 0.011 . . . . . . 103 F HE# . 17125 1 1038 . 1 1 103 103 PHE HE2 H 1 7.139 0.011 . . . . . . 103 F HE# . 17125 1 1039 . 1 1 103 103 PHE HZ H 1 7.494 0.011 . 1 . . . . 103 F Hz . 17125 1 1040 . 1 1 103 103 PHE C C 13 178.718 0.010 . 1 . . . . 103 F C . 17125 1 1041 . 1 1 103 103 PHE CA C 13 59.760 0.309 . 1 . . . . 103 F CA . 17125 1 1042 . 1 1 103 103 PHE CB C 13 37.085 0.082 . 1 . . . . 103 F CB . 17125 1 1043 . 1 1 103 103 PHE CD1 C 13 129.829 0.121 . . . . . . 103 F CD# . 17125 1 1044 . 1 1 103 103 PHE CD2 C 13 129.829 0.121 . . . . . . 103 F CD# . 17125 1 1045 . 1 1 103 103 PHE CE1 C 13 130.224 0.052 . . . . . . 103 F CE# . 17125 1 1046 . 1 1 103 103 PHE CE2 C 13 130.224 0.052 . . . . . . 103 F CE# . 17125 1 1047 . 1 1 103 103 PHE CZ C 13 130.047 0.010 . 1 . . . . 103 F Cz . 17125 1 1048 . 1 1 103 103 PHE N N 15 118.218 0.108 . 1 . . . . 103 F N . 17125 1 1049 . 1 1 104 104 THR H H 1 8.498 0.029 . 1 . . . . 104 T HN . 17125 1 1050 . 1 1 104 104 THR HA H 1 4.304 0.012 . 1 . . . . 104 T HA . 17125 1 1051 . 1 1 104 104 THR HB H 1 3.813 0.009 . 1 . . . . 104 T HB . 17125 1 1052 . 1 1 104 104 THR HG21 H 1 1.341 0.007 . . . . . . 104 T HG2# . 17125 1 1053 . 1 1 104 104 THR HG22 H 1 1.341 0.007 . . . . . . 104 T HG2# . 17125 1 1054 . 1 1 104 104 THR HG23 H 1 1.341 0.007 . . . . . . 104 T HG2# . 17125 1 1055 . 1 1 104 104 THR C C 13 176.142 0.010 . 1 . . . . 104 T C . 17125 1 1056 . 1 1 104 104 THR CA C 13 67.657 0.322 . 1 . . . . 104 T CA . 17125 1 1057 . 1 1 104 104 THR CB C 13 67.646 0.453 . 1 . . . . 104 T CB . 17125 1 1058 . 1 1 104 104 THR CG2 C 13 21.640 0.039 . 1 . . . . 104 T CG2 . 17125 1 1059 . 1 1 104 104 THR N N 15 114.887 0.050 . 1 . . . . 104 T N . 17125 1 1060 . 1 1 105 105 ALA H H 1 7.403 0.025 . 1 . . . . 105 A HN . 17125 1 1061 . 1 1 105 105 ALA HA H 1 4.175 0.006 . 1 . . . . 105 A HA . 17125 1 1062 . 1 1 105 105 ALA HB1 H 1 1.428 0.012 . . . . . . 105 A HB# . 17125 1 1063 . 1 1 105 105 ALA HB2 H 1 1.428 0.012 . . . . . . 105 A HB# . 17125 1 1064 . 1 1 105 105 ALA HB3 H 1 1.428 0.012 . . . . . . 105 A HB# . 17125 1 1065 . 1 1 105 105 ALA C C 13 178.259 0.010 . 1 . . . . 105 A C . 17125 1 1066 . 1 1 105 105 ALA CA C 13 54.949 0.060 . 1 . . . . 105 A CA . 17125 1 1067 . 1 1 105 105 ALA CB C 13 17.310 0.099 . 1 . . . . 105 A CB . 17125 1 1068 . 1 1 105 105 ALA N N 15 122.958 0.067 . 1 . . . . 105 A N . 17125 1 1069 . 1 1 106 106 PHE H H 1 7.559 0.034 . 1 . . . . 106 F HN . 17125 1 1070 . 1 1 106 106 PHE HA H 1 5.046 0.015 . 1 . . . . 106 F HA . 17125 1 1071 . 1 1 106 106 PHE HB2 H 1 3.993 0.023 . . . . . . 106 F HB1 . 17125 1 1072 . 1 1 106 106 PHE HB3 H 1 3.078 0.016 . 2 . . . . 106 F HB2 . 17125 1 1073 . 1 1 106 106 PHE HD1 H 1 7.725 0.025 . . . . . . 106 F HD# . 17125 1 1074 . 1 1 106 106 PHE HD2 H 1 7.725 0.025 . . . . . . 106 F HD# . 17125 1 1075 . 1 1 106 106 PHE HE1 H 1 6.896 0.021 . . . . . . 106 F HE# . 17125 1 1076 . 1 1 106 106 PHE HE2 H 1 6.896 0.021 . . . . . . 106 F HE# . 17125 1 1077 . 1 1 106 106 PHE HZ H 1 6.952 0.032 . 1 . . . . 106 F Hz . 17125 1 1078 . 1 1 106 106 PHE C C 13 177.135 0.010 . 1 . . . . 106 F C . 17125 1 1079 . 1 1 106 106 PHE CA C 13 59.197 0.010 . 1 . . . . 106 F CA . 17125 1 1080 . 1 1 106 106 PHE CB C 13 42.192 0.083 . 1 . . . . 106 F CB . 17125 1 1081 . 1 1 106 106 PHE CD1 C 13 132.171 0.036 . . . . . . 106 F CD# . 17125 1 1082 . 1 1 106 106 PHE CD2 C 13 132.171 0.036 . . . . . . 106 F CD# . 17125 1 1083 . 1 1 106 106 PHE CE1 C 13 130.458 0.030 . . . . . . 106 F CE# . 17125 1 1084 . 1 1 106 106 PHE CE2 C 13 130.458 0.030 . . . . . . 106 F CE# . 17125 1 1085 . 1 1 106 106 PHE CZ C 13 127.709 0.084 . 1 . . . . 106 F Cz . 17125 1 1086 . 1 1 106 106 PHE N N 15 113.022 0.142 . 1 . . . . 106 F N . 17125 1 1087 . 1 1 107 107 LYS H H 1 7.669 0.027 . 1 . . . . 107 K HN . 17125 1 1088 . 1 1 107 107 LYS HA H 1 4.170 0.013 . 1 . . . . 107 K HA . 17125 1 1089 . 1 1 107 107 LYS HB2 H 1 2.130 0.022 . . . . . . 107 K HB# . 17125 1 1090 . 1 1 107 107 LYS HB3 H 1 2.130 0.022 . . . . . . 107 K HB# . 17125 1 1091 . 1 1 107 107 LYS HD2 H 1 1.873 0.006 . . . . . . 107 K HD# . 17125 1 1092 . 1 1 107 107 LYS HD3 H 1 1.873 0.006 . . . . . . 107 K HD# . 17125 1 1093 . 1 1 107 107 LYS HE2 H 1 3.182 0.011 . . . . . . 107 K HE# . 17125 1 1094 . 1 1 107 107 LYS HE3 H 1 3.182 0.011 . . . . . . 107 K HE# . 17125 1 1095 . 1 1 107 107 LYS HG2 H 1 1.745 0.004 . . . . . . 107 K HG1 . 17125 1 1096 . 1 1 107 107 LYS HG3 H 1 1.479 0.010 . 2 . . . . 107 K HG2 . 17125 1 1097 . 1 1 107 107 LYS C C 13 176.100 0.010 . 1 . . . . 107 K C . 17125 1 1098 . 1 1 107 107 LYS CA C 13 60.730 0.124 . 1 . . . . 107 K CA . 17125 1 1099 . 1 1 107 107 LYS CB C 13 31.624 0.100 . 1 . . . . 107 K CB . 17125 1 1100 . 1 1 107 107 LYS CG C 13 23.376 0.032 . 1 . . . . 107 K CG . 17125 1 1101 . 1 1 107 107 LYS N N 15 121.163 0.140 . 1 . . . . 107 K N . 17125 1 1102 . 1 1 108 108 ASP H H 1 8.757 0.023 . 1 . . . . 108 D HN . 17125 1 1103 . 1 1 108 108 ASP HA H 1 4.912 0.001 . 1 . . . . 108 D HA . 17125 1 1104 . 1 1 108 108 ASP HB2 H 1 2.921 0.022 . . . . . . 108 D HB1 . 17125 1 1105 . 1 1 108 108 ASP HB3 H 1 2.627 0.010 . 2 . . . . 108 D HB2 . 17125 1 1106 . 1 1 108 108 ASP C C 13 176.055 0.010 . 1 . . . . 108 D C . 17125 1 1107 . 1 1 108 108 ASP CA C 13 55.558 0.010 . 1 . . . . 108 D CA . 17125 1 1108 . 1 1 108 108 ASP CB C 13 40.705 0.163 . 1 . . . . 108 D CB . 17125 1 1109 . 1 1 108 108 ASP N N 15 118.749 0.061 . 1 . . . . 108 D N . 17125 1 1110 . 1 1 109 109 ASP H H 1 8.051 0.022 . 1 . . . . 109 D HN . 17125 1 1111 . 1 1 109 109 ASP HA H 1 5.001 0.030 . 1 . . . . 109 D HA . 17125 1 1112 . 1 1 109 109 ASP HB2 H 1 3.242 0.021 . . . . . . 109 D HB1 . 17125 1 1113 . 1 1 109 109 ASP HB3 H 1 2.760 0.010 . 2 . . . . 109 D HB2 . 17125 1 1114 . 1 1 109 109 ASP C C 13 174.986 0.010 . 1 . . . . 109 D C . 17125 1 1115 . 1 1 109 109 ASP CA C 13 55.301 0.171 . 1 . . . . 109 D CA . 17125 1 1116 . 1 1 109 109 ASP CB C 13 44.546 0.099 . 1 . . . . 109 D CB . 17125 1 1117 . 1 1 109 109 ASP N N 15 118.497 0.088 . 1 . . . . 109 D N . 17125 1 1118 . 1 1 110 110 VAL H H 1 7.113 0.024 . 1 . . . . 110 V HN . 17125 1 1119 . 1 1 110 110 VAL HA H 1 3.960 0.013 . 1 . . . . 110 V HA . 17125 1 1120 . 1 1 110 110 VAL HB H 1 1.346 0.014 . 1 . . . . 110 V HB . 17125 1 1121 . 1 1 110 110 VAL HG11 H 1 0.441 0.007 . . . . . . 110 V HG1# . 17125 1 1122 . 1 1 110 110 VAL HG12 H 1 0.441 0.007 . . . . . . 110 V HG1# . 17125 1 1123 . 1 1 110 110 VAL HG13 H 1 0.441 0.007 . . . . . . 110 V HG1# . 17125 1 1124 . 1 1 110 110 VAL HG21 H 1 0.496 0.010 . . . . . . 110 V HG2# . 17125 1 1125 . 1 1 110 110 VAL HG22 H 1 0.496 0.010 . . . . . . 110 V HG2# . 17125 1 1126 . 1 1 110 110 VAL HG23 H 1 0.496 0.010 . . . . . . 110 V HG2# . 17125 1 1127 . 1 1 110 110 VAL C C 13 173.256 0.010 . 1 . . . . 110 V C . 17125 1 1128 . 1 1 110 110 VAL CA C 13 61.543 0.344 . 1 . . . . 110 V CA . 17125 1 1129 . 1 1 110 110 VAL CB C 13 32.432 0.105 . 1 . . . . 110 V CB . 17125 1 1130 . 1 1 110 110 VAL CG1 C 13 24.499 0.034 . 2 . . . . 110 V CG1 . 17125 1 1131 . 1 1 110 110 VAL N N 15 117.800 0.140 . 1 . . . . 110 V N . 17125 1 1132 . 1 1 111 111 ASP H H 1 8.624 0.027 . 1 . . . . 111 D HN . 17125 1 1133 . 1 1 111 111 ASP HA H 1 5.084 0.027 . 1 . . . . 111 D HA . 17125 1 1134 . 1 1 111 111 ASP HB2 H 1 3.104 0.023 . . . . . . 111 D HB1 . 17125 1 1135 . 1 1 111 111 ASP HB3 H 1 2.820 0.006 . 2 . . . . 111 D HB2 . 17125 1 1136 . 1 1 111 111 ASP C C 13 175.375 0.010 . 1 . . . . 111 D C . 17125 1 1137 . 1 1 111 111 ASP CA C 13 54.617 0.088 . 1 . . . . 111 D CA . 17125 1 1138 . 1 1 111 111 ASP CB C 13 43.499 0.133 . 1 . . . . 111 D CB . 17125 1 1139 . 1 1 111 111 ASP N N 15 121.967 0.150 . 1 . . . . 111 D N . 17125 1 1140 . 1 1 112 112 THR H H 1 7.889 0.036 . 1 . . . . 112 T HN . 17125 1 1141 . 1 1 112 112 THR HA H 1 5.718 0.017 . 1 . . . . 112 T HA . 17125 1 1142 . 1 1 112 112 THR HB H 1 3.991 0.015 . 1 . . . . 112 T HB . 17125 1 1143 . 1 1 112 112 THR HG21 H 1 1.495 0.014 . . . . . . 112 T HG2# . 17125 1 1144 . 1 1 112 112 THR HG22 H 1 1.495 0.014 . . . . . . 112 T HG2# . 17125 1 1145 . 1 1 112 112 THR HG23 H 1 1.495 0.014 . . . . . . 112 T HG2# . 17125 1 1146 . 1 1 112 112 THR C C 13 172.033 0.010 . 1 . . . . 112 T C . 17125 1 1147 . 1 1 112 112 THR CA C 13 61.713 0.180 . 1 . . . . 112 T CA . 17125 1 1148 . 1 1 112 112 THR CB C 13 72.961 0.134 . 1 . . . . 112 T CB . 17125 1 1149 . 1 1 112 112 THR CG2 C 13 21.096 0.081 . 1 . . . . 112 T CG2 . 17125 1 1150 . 1 1 112 112 THR N N 15 118.132 0.193 . 1 . . . . 112 T N . 17125 1 1151 . 1 1 113 113 LEU H H 1 9.679 0.029 . 1 . . . . 113 L HN . 17125 1 1152 . 1 1 113 113 LEU HA H 1 5.096 0.011 . 1 . . . . 113 L HA . 17125 1 1153 . 1 1 113 113 LEU HB2 H 1 1.951 0.011 . . . . . . 113 L HB1 . 17125 1 1154 . 1 1 113 113 LEU HB3 H 1 1.481 0.020 . 2 . . . . 113 L HB2 . 17125 1 1155 . 1 1 113 113 LEU HD11 H 1 -0.909 0.006 . . . . . . 113 L HD1# . 17125 1 1156 . 1 1 113 113 LEU HD12 H 1 -0.909 0.006 . . . . . . 113 L HD1# . 17125 1 1157 . 1 1 113 113 LEU HD13 H 1 -0.909 0.006 . . . . . . 113 L HD1# . 17125 1 1158 . 1 1 113 113 LEU HD21 H 1 0.367 0.009 . . . . . . 113 L HD2# . 17125 1 1159 . 1 1 113 113 LEU HD22 H 1 0.367 0.009 . . . . . . 113 L HD2# . 17125 1 1160 . 1 1 113 113 LEU HD23 H 1 0.367 0.009 . . . . . . 113 L HD2# . 17125 1 1161 . 1 1 113 113 LEU HG H 1 1.000 0.012 . 1 . . . . 113 L HG . 17125 1 1162 . 1 1 113 113 LEU C C 13 174.231 0.010 . 1 . . . . 113 L C . 17125 1 1163 . 1 1 113 113 LEU CA C 13 53.294 0.091 . 1 . . . . 113 L CA . 17125 1 1164 . 1 1 113 113 LEU CB C 13 41.134 0.101 . 1 . . . . 113 L CB . 17125 1 1165 . 1 1 113 113 LEU CD1 C 13 23.684 0.043 . 2 . . . . 113 L CD1 . 17125 1 1166 . 1 1 113 113 LEU CD2 C 13 22.572 0.076 . 2 . . . . 113 L CD2 . 17125 1 1167 . 1 1 113 113 LEU CG C 13 26.324 0.090 . 1 . . . . 113 L CG . 17125 1 1168 . 1 1 113 113 LEU N N 15 125.700 0.065 . 1 . . . . 113 L N . 17125 1 1169 . 1 1 114 114 LEU H H 1 9.365 0.028 . 1 . . . . 114 L HN . 17125 1 1170 . 1 1 114 114 LEU HA H 1 5.362 0.016 . 1 . . . . 114 L HA . 17125 1 1171 . 1 1 114 114 LEU HB2 H 1 2.599 0.038 . . . . . . 114 L HB1 . 17125 1 1172 . 1 1 114 114 LEU HB3 H 1 1.498 0.016 . 2 . . . . 114 L HB2 . 17125 1 1173 . 1 1 114 114 LEU HD11 H 1 1.033 0.010 . . . . . . 114 L HD1# . 17125 1 1174 . 1 1 114 114 LEU HD12 H 1 1.033 0.010 . . . . . . 114 L HD1# . 17125 1 1175 . 1 1 114 114 LEU HD13 H 1 1.033 0.010 . . . . . . 114 L HD1# . 17125 1 1176 . 1 1 114 114 LEU HD21 H 1 1.143 0.003 . . . . . . 114 L HD2# . 17125 1 1177 . 1 1 114 114 LEU HD22 H 1 1.143 0.003 . . . . . . 114 L HD2# . 17125 1 1178 . 1 1 114 114 LEU HD23 H 1 1.143 0.003 . . . . . . 114 L HD2# . 17125 1 1179 . 1 1 114 114 LEU HG H 1 1.811 0.008 . 1 . . . . 114 L HG . 17125 1 1180 . 1 1 114 114 LEU C C 13 174.288 0.010 . 1 . . . . 114 L C . 17125 1 1181 . 1 1 114 114 LEU CA C 13 53.441 0.080 . 1 . . . . 114 L CA . 17125 1 1182 . 1 1 114 114 LEU CB C 13 41.455 0.074 . 1 . . . . 114 L CB . 17125 1 1183 . 1 1 114 114 LEU CD1 C 13 26.020 0.062 . 2 . . . . 114 L CD1 . 17125 1 1184 . 1 1 114 114 LEU CD2 C 13 24.867 0.060 . 2 . . . . 114 L CD2 . 17125 1 1185 . 1 1 114 114 LEU N N 15 126.460 0.087 . 1 . . . . 114 L N . 17125 1 1186 . 1 1 115 115 VAL H H 1 8.053 0.034 . 1 . . . . 115 V HN . 17125 1 1187 . 1 1 115 115 VAL HA H 1 4.457 0.017 . 1 . . . . 115 V HA . 17125 1 1188 . 1 1 115 115 VAL HB H 1 0.953 0.010 . 1 . . . . 115 V HB . 17125 1 1189 . 1 1 115 115 VAL HG11 H 1 0.102 0.011 . . . . . . 115 V HG1# . 17125 1 1190 . 1 1 115 115 VAL HG12 H 1 0.102 0.011 . . . . . . 115 V HG1# . 17125 1 1191 . 1 1 115 115 VAL HG13 H 1 0.102 0.011 . . . . . . 115 V HG1# . 17125 1 1192 . 1 1 115 115 VAL HG21 H 1 0.664 0.012 . . . . . . 115 V HG2# . 17125 1 1193 . 1 1 115 115 VAL HG22 H 1 0.664 0.012 . . . . . . 115 V HG2# . 17125 1 1194 . 1 1 115 115 VAL HG23 H 1 0.664 0.012 . . . . . . 115 V HG2# . 17125 1 1195 . 1 1 115 115 VAL C C 13 174.361 0.010 . 1 . . . . 115 V C . 17125 1 1196 . 1 1 115 115 VAL CA C 13 58.513 0.084 . 1 . . . . 115 V CA . 17125 1 1197 . 1 1 115 115 VAL CB C 13 34.382 0.069 . 1 . . . . 115 V CB . 17125 1 1198 . 1 1 115 115 VAL CG1 C 13 19.497 0.081 . 2 . . . . 115 V CG1 . 17125 1 1199 . 1 1 115 115 VAL CG2 C 13 21.535 0.057 . 2 . . . . 115 V CG2 . 17125 1 1200 . 1 1 115 115 VAL N N 15 122.021 0.148 . 1 . . . . 115 V N . 17125 1 1201 . 1 1 116 116 THR H H 1 8.446 0.027 . 1 . . . . 116 T HN . 17125 1 1202 . 1 1 116 116 THR HA H 1 4.957 0.029 . 1 . . . . 116 T HA . 17125 1 1203 . 1 1 116 116 THR HB H 1 4.097 0.012 . 1 . . . . 116 T HB . 17125 1 1204 . 1 1 116 116 THR HG21 H 1 0.682 0.009 . . . . . . 116 T HG2# . 17125 1 1205 . 1 1 116 116 THR HG22 H 1 0.682 0.009 . . . . . . 116 T HG2# . 17125 1 1206 . 1 1 116 116 THR HG23 H 1 0.682 0.009 . . . . . . 116 T HG2# . 17125 1 1207 . 1 1 116 116 THR C C 13 173.100 0.010 . 1 . . . . 116 T C . 17125 1 1208 . 1 1 116 116 THR CA C 13 59.952 0.189 . 1 . . . . 116 T CA . 17125 1 1209 . 1 1 116 116 THR CB C 13 68.489 0.315 . 1 . . . . 116 T CB . 17125 1 1210 . 1 1 116 116 THR CG2 C 13 21.246 0.072 . 1 . . . . 116 T CG2 . 17125 1 1211 . 1 1 116 116 THR N N 15 124.687 0.063 . 1 . . . . 116 T N . 17125 1 1212 . 1 1 117 117 ARG H H 1 9.310 0.026 . 1 . . . . 117 R HN . 17125 1 1213 . 1 1 117 117 ARG HA H 1 4.907 0.010 . 1 . . . . 117 R HA . 17125 1 1214 . 1 1 117 117 ARG HB2 H 1 1.841 0.012 . . . . . . 117 R HB1 . 17125 1 1215 . 1 1 117 117 ARG HB3 H 1 1.508 0.011 . 2 . . . . 117 R HB2 . 17125 1 1216 . 1 1 117 117 ARG HD2 H 1 3.273 0.004 . . . . . . 117 R HD1 . 17125 1 1217 . 1 1 117 117 ARG HD3 H 1 3.028 0.021 . 2 . . . . 117 R HD2 . 17125 1 1218 . 1 1 117 117 ARG HG2 H 1 1.287 0.010 . . . . . . 117 R HG1 . 17125 1 1219 . 1 1 117 117 ARG HG3 H 1 1.194 0.010 . 2 . . . . 117 R HG2 . 17125 1 1220 . 1 1 117 117 ARG C C 13 176.078 0.010 . 1 . . . . 117 R C . 17125 1 1221 . 1 1 117 117 ARG CA C 13 54.117 0.129 . 1 . . . . 117 R CA . 17125 1 1222 . 1 1 117 117 ARG CB C 13 31.365 0.071 . 1 . . . . 117 R CB . 17125 1 1223 . 1 1 117 117 ARG CD C 13 41.530 0.010 . 1 . . . . 117 R CD . 17125 1 1224 . 1 1 117 117 ARG N N 15 126.877 0.236 . 1 . . . . 117 R N . 17125 1 1225 . 1 1 118 118 LEU H H 1 9.166 0.028 . 1 . . . . 118 L HN . 17125 1 1226 . 1 1 118 118 LEU HA H 1 4.706 0.024 . 1 . . . . 118 L HA . 17125 1 1227 . 1 1 118 118 LEU HB2 H 1 1.888 0.018 . . . . . . 118 L HB# . 17125 1 1228 . 1 1 118 118 LEU HB3 H 1 1.888 0.018 . . . . . . 118 L HB# . 17125 1 1229 . 1 1 118 118 LEU HD11 H 1 0.027 0.021 . . . . . . 118 L HD1# . 17125 1 1230 . 1 1 118 118 LEU HD12 H 1 0.027 0.021 . . . . . . 118 L HD1# . 17125 1 1231 . 1 1 118 118 LEU HD13 H 1 0.027 0.021 . . . . . . 118 L HD1# . 17125 1 1232 . 1 1 118 118 LEU HD21 H 1 -0.089 0.058 . . . . . . 118 L HD2# . 17125 1 1233 . 1 1 118 118 LEU HD22 H 1 -0.089 0.058 . . . . . . 118 L HD2# . 17125 1 1234 . 1 1 118 118 LEU HD23 H 1 -0.089 0.058 . . . . . . 118 L HD2# . 17125 1 1235 . 1 1 118 118 LEU HG H 1 1.183 0.007 . 1 . . . . 118 L HG . 17125 1 1236 . 1 1 118 118 LEU C C 13 174.427 0.010 . 1 . . . . 118 L C . 17125 1 1237 . 1 1 118 118 LEU CB C 13 42.334 0.080 . 1 . . . . 118 L CB . 17125 1 1238 . 1 1 118 118 LEU N N 15 129.678 0.072 . 1 . . . . 118 L N . 17125 1 1239 . 1 1 119 119 ALA H H 1 8.391 0.025 . 1 . . . . 119 A HN . 17125 1 1240 . 1 1 119 119 ALA HA H 1 4.147 0.009 . 1 . . . . 119 A HA . 17125 1 1241 . 1 1 119 119 ALA HB1 H 1 1.489 0.016 . . . . . . 119 A HB# . 17125 1 1242 . 1 1 119 119 ALA HB2 H 1 1.489 0.016 . . . . . . 119 A HB# . 17125 1 1243 . 1 1 119 119 ALA HB3 H 1 1.489 0.016 . . . . . . 119 A HB# . 17125 1 1244 . 1 1 119 119 ALA C C 13 179.625 0.010 . 1 . . . . 119 A C . 17125 1 1245 . 1 1 119 119 ALA CB C 13 19.032 0.054 . 1 . . . . 119 A CB . 17125 1 1246 . 1 1 119 119 ALA N N 15 121.624 0.230 . 1 . . . . 119 A N . 17125 1 1247 . 1 1 120 120 GLY H H 1 8.086 0.017 . 1 . . . . 120 G HN . 17125 1 1248 . 1 1 120 120 GLY HA2 H 1 4.317 0.012 . . . . . . 120 G HA1 . 17125 1 1249 . 1 1 120 120 GLY HA3 H 1 3.689 0.010 . 2 . . . . 120 G HA2 . 17125 1 1250 . 1 1 120 120 GLY CA C 13 43.889 0.014 . 1 . . . . 120 G CA . 17125 1 1251 . 1 1 120 120 GLY N N 15 104.020 0.039 . 1 . . . . 120 G N . 17125 1 1252 . 1 1 121 121 SER H H 1 7.864 0.038 . 1 . . . . 121 S HN . 17125 1 1253 . 1 1 121 121 SER HA H 1 5.125 0.015 . 1 . . . . 121 S HA . 17125 1 1254 . 1 1 121 121 SER HB2 H 1 3.669 0.013 . . . . . . 121 S HB# . 17125 1 1255 . 1 1 121 121 SER HB3 H 1 3.669 0.013 . . . . . . 121 S HB# . 17125 1 1256 . 1 1 121 121 SER CA C 13 56.106 0.060 . 1 . . . . 121 S CA . 17125 1 1257 . 1 1 121 121 SER CB C 13 64.327 0.131 . 1 . . . . 121 S CB . 17125 1 1258 . 1 1 121 121 SER N N 15 112.395 0.010 . 1 . . . . 121 S N . 17125 1 1259 . 1 1 122 122 PHE H H 1 9.812 0.015 . 1 . . . . 122 F HN . 17125 1 1260 . 1 1 122 122 PHE HA H 1 4.891 0.007 . 1 . . . . 122 F HA . 17125 1 1261 . 1 1 122 122 PHE HB2 H 1 3.424 0.007 . . . . . . 122 F HB1 . 17125 1 1262 . 1 1 122 122 PHE HB3 H 1 3.051 0.007 . 2 . . . . 122 F HB2 . 17125 1 1263 . 1 1 122 122 PHE HD1 H 1 7.479 0.016 . . . . . . 122 F HD# . 17125 1 1264 . 1 1 122 122 PHE HD2 H 1 7.479 0.016 . . . . . . 122 F HD# . 17125 1 1265 . 1 1 122 122 PHE HE1 H 1 7.243 0.032 . . . . . . 122 F HE# . 17125 1 1266 . 1 1 122 122 PHE HE2 H 1 7.243 0.032 . . . . . . 122 F HE# . 17125 1 1267 . 1 1 122 122 PHE C C 13 174.154 0.010 . 1 . . . . 122 F C . 17125 1 1268 . 1 1 122 122 PHE CB C 13 41.413 0.013 . 1 . . . . 122 F CB . 17125 1 1269 . 1 1 122 122 PHE CD1 C 13 131.025 0.010 . . . . . . 122 F CD# . 17125 1 1270 . 1 1 122 122 PHE CD2 C 13 131.025 0.010 . . . . . . 122 F CD# . 17125 1 1271 . 1 1 122 122 PHE CE1 C 13 130.970 0.010 . . . . . . 122 F CE# . 17125 1 1272 . 1 1 122 122 PHE CE2 C 13 130.970 0.010 . . . . . . 122 F CE# . 17125 1 1273 . 1 1 123 123 GLU H H 1 8.491 0.032 . 1 . . . . 123 E HN . 17125 1 1274 . 1 1 123 123 GLU HA H 1 4.637 0.022 . 1 . . . . 123 E HA . 17125 1 1275 . 1 1 123 123 GLU HB2 H 1 2.123 0.014 . . . . . . 123 E HB# . 17125 1 1276 . 1 1 123 123 GLU HB3 H 1 2.123 0.014 . . . . . . 123 E HB# . 17125 1 1277 . 1 1 123 123 GLU HG2 H 1 2.434 0.017 . . . . . . 123 E HG1 . 17125 1 1278 . 1 1 123 123 GLU HG3 H 1 2.335 0.006 . 2 . . . . 123 E HG2 . 17125 1 1279 . 1 1 123 123 GLU C C 13 176.166 0.010 . 1 . . . . 123 E C . 17125 1 1280 . 1 1 123 123 GLU CA C 13 56.200 0.010 . 1 . . . . 123 E CA . 17125 1 1281 . 1 1 123 123 GLU CB C 13 30.457 0.058 . 1 . . . . 123 E CB . 17125 1 1282 . 1 1 123 123 GLU CG C 13 36.169 0.061 . 1 . . . . 123 E CG . 17125 1 1283 . 1 1 123 123 GLU N N 15 119.357 0.099 . 1 . . . . 123 E N . 17125 1 1284 . 1 1 124 124 GLY H H 1 8.360 0.032 . 1 . . . . 124 G HN . 17125 1 1285 . 1 1 124 124 GLY HA2 H 1 4.258 0.008 . . . . . . 124 G HA1 . 17125 1 1286 . 1 1 124 124 GLY HA3 H 1 4.150 0.006 . 2 . . . . 124 G HA2 . 17125 1 1287 . 1 1 124 124 GLY C C 13 172.092 0.010 . 1 . . . . 124 G C . 17125 1 1288 . 1 1 124 124 GLY CA C 13 45.533 0.114 . 1 . . . . 124 G CA . 17125 1 1289 . 1 1 124 124 GLY N N 15 109.031 0.070 . 1 . . . . 124 G N . 17125 1 1290 . 1 1 125 125 ASP H H 1 8.579 0.029 . 1 . . . . 125 D HN . 17125 1 1291 . 1 1 125 125 ASP HA H 1 5.003 0.041 . 1 . . . . 125 D HA . 17125 1 1292 . 1 1 125 125 ASP HB2 H 1 3.095 0.012 . . . . . . 125 D HB1 . 17125 1 1293 . 1 1 125 125 ASP HB3 H 1 2.729 0.007 . 2 . . . . 125 D HB2 . 17125 1 1294 . 1 1 125 125 ASP CA C 13 53.406 0.010 . 1 . . . . 125 D CA . 17125 1 1295 . 1 1 125 125 ASP CB C 13 42.997 0.166 . 1 . . . . 125 D CB . 17125 1 1296 . 1 1 125 125 ASP N N 15 116.171 0.133 . 1 . . . . 125 D N . 17125 1 1297 . 1 1 126 126 THR H H 1 7.941 0.009 . 1 . . . . 126 T HN . 17125 1 1298 . 1 1 126 126 THR HA H 1 4.700 0.010 . 1 . . . . 126 T HA . 17125 1 1299 . 1 1 126 126 THR HB H 1 3.972 0.022 . 1 . . . . 126 T HB . 17125 1 1300 . 1 1 126 126 THR HG21 H 1 1.336 0.004 . . . . . . 126 T HG2# . 17125 1 1301 . 1 1 126 126 THR HG22 H 1 1.336 0.004 . . . . . . 126 T HG2# . 17125 1 1302 . 1 1 126 126 THR HG23 H 1 1.336 0.004 . . . . . . 126 T HG2# . 17125 1 1303 . 1 1 126 126 THR C C 13 172.392 0.010 . 1 . . . . 126 T C . 17125 1 1304 . 1 1 126 126 THR CA C 13 62.227 0.027 . 1 . . . . 126 T CA . 17125 1 1305 . 1 1 126 126 THR CB C 13 71.452 0.104 . 1 . . . . 126 T CB . 17125 1 1306 . 1 1 126 126 THR CG2 C 13 20.669 0.033 . 1 . . . . 126 T CG2 . 17125 1 1307 . 1 1 127 127 LYS H H 1 8.834 0.035 . 1 . . . . 127 K HN . 17125 1 1308 . 1 1 127 127 LYS HA H 1 5.120 0.018 . 1 . . . . 127 K HA . 17125 1 1309 . 1 1 127 127 LYS HB2 H 1 2.011 0.012 . . . . . . 127 K HB1 . 17125 1 1310 . 1 1 127 127 LYS HB3 H 1 1.787 0.017 . 2 . . . . 127 K HB2 . 17125 1 1311 . 1 1 127 127 LYS HD2 H 1 1.614 0.002 . . . . . . 127 K HD# . 17125 1 1312 . 1 1 127 127 LYS HD3 H 1 1.614 0.002 . . . . . . 127 K HD# . 17125 1 1313 . 1 1 127 127 LYS HE2 H 1 3.085 0.003 . . . . . . 127 K HE# . 17125 1 1314 . 1 1 127 127 LYS HE3 H 1 3.085 0.003 . . . . . . 127 K HE# . 17125 1 1315 . 1 1 127 127 LYS HG2 H 1 1.406 0.010 . . . . . . 127 K HG# . 17125 1 1316 . 1 1 127 127 LYS HG3 H 1 1.406 0.010 . . . . . . 127 K HG# . 17125 1 1317 . 1 1 127 127 LYS C C 13 177.425 0.010 . 1 . . . . 127 K C . 17125 1 1318 . 1 1 127 127 LYS CB C 13 34.756 0.097 . 1 . . . . 127 K CB . 17125 1 1319 . 1 1 127 127 LYS N N 15 127.506 0.069 . 1 . . . . 127 K N . 17125 1 1320 . 1 1 128 128 MET H H 1 8.757 0.018 . 1 . . . . 128 M HN . 17125 1 1321 . 1 1 128 128 MET HA H 1 4.211 0.015 . 1 . . . . 128 M HA . 17125 1 1322 . 1 1 128 128 MET HB2 H 1 2.126 0.019 . . . . . . 128 M HB1 . 17125 1 1323 . 1 1 128 128 MET HB3 H 1 1.359 0.010 . 2 . . . . 128 M HB2 . 17125 1 1324 . 1 1 128 128 MET HE1 H 1 -0.257 0.006 . . . . . . 128 M HE# . 17125 1 1325 . 1 1 128 128 MET HE2 H 1 -0.257 0.006 . . . . . . 128 M HE# . 17125 1 1326 . 1 1 128 128 MET HE3 H 1 -0.257 0.006 . . . . . . 128 M HE# . 17125 1 1327 . 1 1 128 128 MET HG2 H 1 2.947 0.013 . . . . . . 128 M HG1 . 17125 1 1328 . 1 1 128 128 MET HG3 H 1 2.303 0.014 . 2 . . . . 128 M HG2 . 17125 1 1329 . 1 1 128 128 MET C C 13 175.587 0.010 . 1 . . . . 128 M C . 17125 1 1330 . 1 1 128 128 MET CA C 13 54.058 0.061 . 1 . . . . 128 M CA . 17125 1 1331 . 1 1 128 128 MET CE C 13 14.609 0.058 . 1 . . . . 128 M CE . 17125 1 1332 . 1 1 128 128 MET CG C 13 31.952 0.112 . 1 . . . . 128 M CG . 17125 1 1333 . 1 1 128 128 MET N N 15 119.881 0.085 . 1 . . . . 128 M N . 17125 1 1334 . 1 1 129 129 ILE H H 1 7.288 0.029 . 1 . . . . 129 I HN . 17125 1 1335 . 1 1 129 129 ILE HA H 1 4.428 0.014 . 1 . . . . 129 I HA . 17125 1 1336 . 1 1 129 129 ILE HB H 1 2.029 0.019 . 1 . . . . 129 I HB . 17125 1 1337 . 1 1 129 129 ILE HD11 H 1 0.854 0.013 . . . . . . 129 I HD1# . 17125 1 1338 . 1 1 129 129 ILE HD12 H 1 0.854 0.013 . . . . . . 129 I HD1# . 17125 1 1339 . 1 1 129 129 ILE HD13 H 1 0.854 0.013 . . . . . . 129 I HD1# . 17125 1 1340 . 1 1 129 129 ILE HG12 H 1 1.385 0.012 . . . . . . 129 I HG11 . 17125 1 1341 . 1 1 129 129 ILE HG13 H 1 0.686 0.012 . 2 . . . . 129 I HG12 . 17125 1 1342 . 1 1 129 129 ILE HG21 H 1 1.218 0.008 . . . . . . 129 I HG2# . 17125 1 1343 . 1 1 129 129 ILE HG22 H 1 1.218 0.008 . . . . . . 129 I HG2# . 17125 1 1344 . 1 1 129 129 ILE HG23 H 1 1.218 0.008 . . . . . . 129 I HG2# . 17125 1 1345 . 1 1 129 129 ILE CA C 13 59.944 0.201 . 1 . . . . 129 I CA . 17125 1 1346 . 1 1 129 129 ILE CB C 13 36.155 0.044 . 1 . . . . 129 I CB . 17125 1 1347 . 1 1 129 129 ILE CD1 C 13 14.809 0.015 . 1 . . . . 129 I CD1 . 17125 1 1348 . 1 1 129 129 ILE CG1 C 13 25.003 0.021 . 1 . . . . 129 I CG1 . 17125 1 1349 . 1 1 129 129 ILE CG2 C 13 19.526 0.040 . 1 . . . . 129 I CG2 . 17125 1 1350 . 1 1 129 129 ILE N N 15 117.951 0.105 . 1 . . . . 129 I N . 17125 1 1351 . 1 1 130 130 PRO HA H 1 4.558 0.011 . 1 . . . . 130 P HA . 17125 1 1352 . 1 1 130 130 PRO HB2 H 1 2.382 0.013 . . . . . . 130 P HB1 . 17125 1 1353 . 1 1 130 130 PRO HB3 H 1 1.939 0.029 . 2 . . . . 130 P HB2 . 17125 1 1354 . 1 1 130 130 PRO HD2 H 1 3.956 0.014 . . . . . . 130 P HD1 . 17125 1 1355 . 1 1 130 130 PRO HD3 H 1 3.700 0.005 . 2 . . . . 130 P HD2 . 17125 1 1356 . 1 1 130 130 PRO HG2 H 1 2.129 0.003 . . . . . . 130 P HG# . 17125 1 1357 . 1 1 130 130 PRO HG3 H 1 2.129 0.003 . . . . . . 130 P HG# . 17125 1 1358 . 1 1 130 130 PRO C C 13 176.123 0.010 . 1 . . . . 130 P C . 17125 1 1359 . 1 1 130 130 PRO CA C 13 63.194 0.209 . 1 . . . . 130 P CA . 17125 1 1360 . 1 1 130 130 PRO CB C 13 31.169 0.092 . 1 . . . . 130 P CB . 17125 1 1361 . 1 1 130 130 PRO CD C 13 49.936 0.164 . 1 . . . . 130 P CD . 17125 1 1362 . 1 1 131 131 LEU H H 1 7.620 0.029 . 1 . . . . 131 L HN . 17125 1 1363 . 1 1 131 131 LEU HA H 1 4.443 0.014 . 1 . . . . 131 L HA . 17125 1 1364 . 1 1 131 131 LEU HB2 H 1 0.639 0.019 . . . . . . 131 L HB1 . 17125 1 1365 . 1 1 131 131 LEU HB3 H 1 0.324 0.011 . 2 . . . . 131 L HB2 . 17125 1 1366 . 1 1 131 131 LEU HD11 H 1 0.069 0.010 . . . . . . 131 L HD1# . 17125 1 1367 . 1 1 131 131 LEU HD12 H 1 0.069 0.010 . . . . . . 131 L HD1# . 17125 1 1368 . 1 1 131 131 LEU HD13 H 1 0.069 0.010 . . . . . . 131 L HD1# . 17125 1 1369 . 1 1 131 131 LEU HD21 H 1 0.541 0.008 . . . . . . 131 L HD2# . 17125 1 1370 . 1 1 131 131 LEU HD22 H 1 0.541 0.008 . . . . . . 131 L HD2# . 17125 1 1371 . 1 1 131 131 LEU HD23 H 1 0.541 0.008 . . . . . . 131 L HD2# . 17125 1 1372 . 1 1 131 131 LEU HG H 1 1.367 0.014 . 1 . . . . 131 L HG . 17125 1 1373 . 1 1 131 131 LEU C C 13 175.787 0.010 . 1 . . . . 131 L C . 17125 1 1374 . 1 1 131 131 LEU CA C 13 52.885 0.311 . 1 . . . . 131 L CA . 17125 1 1375 . 1 1 131 131 LEU CB C 13 44.783 0.086 . 1 . . . . 131 L CB . 17125 1 1376 . 1 1 131 131 LEU CD1 C 13 26.507 0.116 . 2 . . . . 131 L CD1 . 17125 1 1377 . 1 1 131 131 LEU CD2 C 13 22.944 0.059 . 2 . . . . 131 L CD2 . 17125 1 1378 . 1 1 131 131 LEU CG C 13 25.526 0.106 . 1 . . . . 131 L CG . 17125 1 1379 . 1 1 131 131 LEU N N 15 122.605 0.069 . 1 . . . . 131 L N . 17125 1 1380 . 1 1 132 132 ASN H H 1 9.016 0.025 . 1 . . . . 132 N HN . 17125 1 1381 . 1 1 132 132 ASN HA H 1 5.095 0.014 . 1 . . . . 132 N HA . 17125 1 1382 . 1 1 132 132 ASN HB2 H 1 3.146 0.014 . . . . . . 132 N HB1 . 17125 1 1383 . 1 1 132 132 ASN HB3 H 1 2.811 0.007 . 2 . . . . 132 N HB2 . 17125 1 1384 . 1 1 132 132 ASN HD21 H 1 7.725 0.024 . 2 . . . . 132 N HD21 . 17125 1 1385 . 1 1 132 132 ASN HD22 H 1 7.032 0.026 . 2 . . . . 132 N HD22 . 17125 1 1386 . 1 1 132 132 ASN C C 13 175.959 0.010 . 1 . . . . 132 N C . 17125 1 1387 . 1 1 132 132 ASN CA C 13 51.089 0.326 . 1 . . . . 132 N CA . 17125 1 1388 . 1 1 132 132 ASN CB C 13 35.770 0.096 . 1 . . . . 132 N CB . 17125 1 1389 . 1 1 132 132 ASN N N 15 119.592 0.101 . 1 . . . . 132 N N . 17125 1 1390 . 1 1 132 132 ASN ND2 N 15 112.833 0.040 . . . . . . 132 N ND . 17125 1 1391 . 1 1 133 133 TRP H H 1 7.947 0.024 . 1 . . . . 133 W HN . 17125 1 1392 . 1 1 133 133 TRP HA H 1 3.850 0.013 . 1 . . . . 133 W HA . 17125 1 1393 . 1 1 133 133 TRP HB2 H 1 3.066 0.008 . . . . . . 133 W HB1 . 17125 1 1394 . 1 1 133 133 TRP HB3 H 1 3.288 0.014 . 2 . . . . 133 W HB2 . 17125 1 1395 . 1 1 133 133 TRP HD1 H 1 7.512 0.022 . 1 . . . . 133 W HD1 . 17125 1 1396 . 1 1 133 133 TRP HE1 H 1 10.151 0.021 . 1 . . . . 133 W HE1 . 17125 1 1397 . 1 1 133 133 TRP HE3 H 1 5.781 0.006 . 1 . . . . 133 W HE3 . 17125 1 1398 . 1 1 133 133 TRP HH2 H 1 6.723 0.022 . 1 . . . . 133 W Hh2 . 17125 1 1399 . 1 1 133 133 TRP HZ2 H 1 7.695 0.013 . 1 . . . . 133 W Hz2 . 17125 1 1400 . 1 1 133 133 TRP HZ3 H 1 4.610 0.006 . 1 . . . . 133 W Hz3 . 17125 1 1401 . 1 1 133 133 TRP C C 13 177.484 0.010 . 1 . . . . 133 W C . 17125 1 1402 . 1 1 133 133 TRP CA C 13 61.259 0.126 . 1 . . . . 133 W CA . 17125 1 1403 . 1 1 133 133 TRP CB C 13 28.140 0.088 . 1 . . . . 133 W CB . 17125 1 1404 . 1 1 133 133 TRP N N 15 124.110 0.078 . 1 . . . . 133 W N . 17125 1 1405 . 1 1 134 134 ASP H H 1 8.366 0.020 . 1 . . . . 134 D HN . 17125 1 1406 . 1 1 134 134 ASP HA H 1 4.872 0.009 . 1 . . . . 134 D HA . 17125 1 1407 . 1 1 134 134 ASP HB2 H 1 2.647 0.003 . . . . . . 134 D HB1 . 17125 1 1408 . 1 1 134 134 ASP HB3 H 1 2.873 0.006 . 2 . . . . 134 D HB2 . 17125 1 1409 . 1 1 134 134 ASP C C 13 176.710 0.010 . 1 . . . . 134 D C . 17125 1 1410 . 1 1 134 134 ASP CA C 13 56.858 0.039 . 1 . . . . 134 D CA . 17125 1 1411 . 1 1 134 134 ASP CB C 13 40.238 0.164 . 1 . . . . 134 D CB . 17125 1 1412 . 1 1 134 134 ASP N N 15 115.621 0.058 . 1 . . . . 134 D N . 17125 1 1413 . 1 1 135 135 ASP H H 1 8.132 0.026 . 1 . . . . 135 D HN . 17125 1 1414 . 1 1 135 135 ASP HA H 1 4.866 0.014 . 1 . . . . 135 D HA . 17125 1 1415 . 1 1 135 135 ASP HB2 H 1 2.875 0.013 . . . . . . 135 D HB1 . 17125 1 1416 . 1 1 135 135 ASP HB3 H 1 2.644 0.013 . 2 . . . . 135 D HB2 . 17125 1 1417 . 1 1 135 135 ASP C C 13 174.533 0.010 . 1 . . . . 135 D C . 17125 1 1418 . 1 1 135 135 ASP CA C 13 54.976 0.005 . 1 . . . . 135 D CA . 17125 1 1419 . 1 1 135 135 ASP CB C 13 40.629 0.087 . 1 . . . . 135 D CB . 17125 1 1420 . 1 1 135 135 ASP N N 15 117.875 0.062 . 1 . . . . 135 D N . 17125 1 1421 . 1 1 136 136 PHE H H 1 8.400 0.022 . 1 . . . . 136 F HN . 17125 1 1422 . 1 1 136 136 PHE HA H 1 5.277 0.011 . 1 . . . . 136 F HA . 17125 1 1423 . 1 1 136 136 PHE HB2 H 1 3.458 0.014 . . . . . . 136 F HB1 . 17125 1 1424 . 1 1 136 136 PHE HB3 H 1 3.342 0.013 . 2 . . . . 136 F HB2 . 17125 1 1425 . 1 1 136 136 PHE HD1 H 1 7.064 0.036 . . . . . . 136 F HD# . 17125 1 1426 . 1 1 136 136 PHE HD2 H 1 7.064 0.036 . . . . . . 136 F HD# . 17125 1 1427 . 1 1 136 136 PHE HE1 H 1 6.969 0.027 . . . . . . 136 F HE# . 17125 1 1428 . 1 1 136 136 PHE HE2 H 1 6.969 0.027 . . . . . . 136 F HE# . 17125 1 1429 . 1 1 136 136 PHE C C 13 173.822 0.010 . 1 . . . . 136 F C . 17125 1 1430 . 1 1 136 136 PHE CA C 13 57.026 0.152 . 1 . . . . 136 F CA . 17125 1 1431 . 1 1 136 136 PHE CB C 13 44.348 0.161 . 1 . . . . 136 F CB . 17125 1 1432 . 1 1 136 136 PHE CD1 C 13 132.442 0.013 . . . . . . 136 F CD# . 17125 1 1433 . 1 1 136 136 PHE CD2 C 13 132.442 0.013 . . . . . . 136 F CD# . 17125 1 1434 . 1 1 136 136 PHE CE1 C 13 132.367 0.013 . . . . . . 136 F CE# . 17125 1 1435 . 1 1 136 136 PHE CE2 C 13 132.367 0.013 . . . . . . 136 F CE# . 17125 1 1436 . 1 1 136 136 PHE N N 15 118.884 0.104 . 1 . . . . 136 F N . 17125 1 1437 . 1 1 137 137 THR H H 1 9.430 0.024 . 1 . . . . 137 T HN . 17125 1 1438 . 1 1 137 137 THR HA H 1 4.934 0.012 . 1 . . . . 137 T HA . 17125 1 1439 . 1 1 137 137 THR HB H 1 4.074 0.010 . 1 . . . . 137 T HB . 17125 1 1440 . 1 1 137 137 THR HG21 H 1 1.289 0.006 . . . . . . 137 T HG2# . 17125 1 1441 . 1 1 137 137 THR HG22 H 1 1.289 0.006 . . . . . . 137 T HG2# . 17125 1 1442 . 1 1 137 137 THR HG23 H 1 1.289 0.006 . . . . . . 137 T HG2# . 17125 1 1443 . 1 1 137 137 THR C C 13 172.950 0.010 . 1 . . . . 137 T C . 17125 1 1444 . 1 1 137 137 THR CA C 13 60.356 0.235 . 1 . . . . 137 T CA . 17125 1 1445 . 1 1 137 137 THR CB C 13 69.075 8.890 . 1 . . . . 137 T CB . 17125 1 1446 . 1 1 137 137 THR CG2 C 13 21.110 0.031 . 1 . . . . 137 T CG2 . 17125 1 1447 . 1 1 137 137 THR N N 15 115.425 0.065 . 1 . . . . 137 T N . 17125 1 1448 . 1 1 138 138 LYS H H 1 8.753 0.031 . 1 . . . . 138 K HN . 17125 1 1449 . 1 1 138 138 LYS HA H 1 3.699 0.011 . 1 . . . . 138 K HA . 17125 1 1450 . 1 1 138 138 LYS HB2 H 1 1.220 0.012 . . . . . . 138 K HB1 . 17125 1 1451 . 1 1 138 138 LYS HB3 H 1 -0.722 0.010 . 2 . . . . 138 K HB2 . 17125 1 1452 . 1 1 138 138 LYS HD2 H 1 1.287 0.028 . . . . . . 138 K HD1 . 17125 1 1453 . 1 1 138 138 LYS HD3 H 1 1.412 0.005 . 2 . . . . 138 K HD2 . 17125 1 1454 . 1 1 138 138 LYS HE2 H 1 2.747 0.007 . . . . . . 138 K HE1 . 17125 1 1455 . 1 1 138 138 LYS HE3 H 1 2.646 0.030 . 2 . . . . 138 K HE2 . 17125 1 1456 . 1 1 138 138 LYS HG2 H 1 0.670 0.012 . . . . . . 138 K HG1 . 17125 1 1457 . 1 1 138 138 LYS HG3 H 1 0.185 0.013 . 2 . . . . 138 K HG2 . 17125 1 1458 . 1 1 138 138 LYS C C 13 176.137 0.010 . 1 . . . . 138 K C . 17125 1 1459 . 1 1 138 138 LYS CA C 13 56.714 0.098 . 1 . . . . 138 K CA . 17125 1 1460 . 1 1 138 138 LYS CB C 13 29.288 0.070 . 1 . . . . 138 K CB . 17125 1 1461 . 1 1 138 138 LYS CD C 13 28.804 0.170 . 1 . . . . 138 K CD . 17125 1 1462 . 1 1 138 138 LYS CE C 13 40.573 0.081 . 1 . . . . 138 K CE . 17125 1 1463 . 1 1 138 138 LYS CG C 13 23.580 0.104 . 1 . . . . 138 K CG . 17125 1 1464 . 1 1 138 138 LYS N N 15 131.372 0.160 . 1 . . . . 138 K N . 17125 1 1465 . 1 1 139 139 VAL H H 1 9.212 0.030 . 1 . . . . 139 V HN . 17125 1 1466 . 1 1 139 139 VAL HA H 1 4.312 0.009 . 1 . . . . 139 V HA . 17125 1 1467 . 1 1 139 139 VAL HB H 1 2.231 0.011 . 1 . . . . 139 V HB . 17125 1 1468 . 1 1 139 139 VAL HG11 H 1 1.007 0.022 . . . . . . 139 V HG# . 17125 1 1469 . 1 1 139 139 VAL HG12 H 1 1.007 0.022 . . . . . . 139 V HG# . 17125 1 1470 . 1 1 139 139 VAL HG13 H 1 1.007 0.022 . . . . . . 139 V HG# . 17125 1 1471 . 1 1 139 139 VAL HG21 H 1 1.007 0.022 . . . . . . 139 V HG# . 17125 1 1472 . 1 1 139 139 VAL HG22 H 1 1.007 0.022 . . . . . . 139 V HG# . 17125 1 1473 . 1 1 139 139 VAL HG23 H 1 1.007 0.022 . . . . . . 139 V HG# . 17125 1 1474 . 1 1 139 139 VAL C C 13 176.146 0.010 . 1 . . . . 139 V C . 17125 1 1475 . 1 1 139 139 VAL CA C 13 62.288 0.173 . 1 . . . . 139 V CA . 17125 1 1476 . 1 1 139 139 VAL CB C 13 32.518 0.157 . 1 . . . . 139 V CB . 17125 1 1477 . 1 1 139 139 VAL CG1 C 13 20.968 0.081 . 2 . . . . 139 V CG1 . 17125 1 1478 . 1 1 139 139 VAL CG2 C 13 19.581 0.045 . 2 . . . . 139 V CG2 . 17125 1 1479 . 1 1 139 139 VAL N N 15 126.455 0.101 . 1 . . . . 139 V N . 17125 1 1480 . 1 1 140 140 SER H H 1 7.594 0.023 . 1 . . . . 140 S HN . 17125 1 1481 . 1 1 140 140 SER HA H 1 4.690 0.012 . 1 . . . . 140 S HA . 17125 1 1482 . 1 1 140 140 SER HB2 H 1 3.925 0.016 . . . . . . 140 S HB1 . 17125 1 1483 . 1 1 140 140 SER HB3 H 1 3.777 0.037 . 2 . . . . 140 S HB2 . 17125 1 1484 . 1 1 140 140 SER C C 13 172.461 0.010 . 1 . . . . 140 S C . 17125 1 1485 . 1 1 140 140 SER CA C 13 57.960 0.030 . 1 . . . . 140 S CA . 17125 1 1486 . 1 1 140 140 SER CB C 13 64.917 0.148 . 1 . . . . 140 S CB . 17125 1 1487 . 1 1 140 140 SER N N 15 113.351 0.139 . 1 . . . . 140 S N . 17125 1 1488 . 1 1 141 141 SER H H 1 8.231 0.029 . 1 . . . . 141 S HN . 17125 1 1489 . 1 1 141 141 SER HA H 1 5.369 0.011 . 1 . . . . 141 S HA . 17125 1 1490 . 1 1 141 141 SER HB2 H 1 3.696 0.010 . . . . . . 141 S HB1 . 17125 1 1491 . 1 1 141 141 SER HB3 H 1 3.547 0.014 . 2 . . . . 141 S HB2 . 17125 1 1492 . 1 1 141 141 SER C C 13 173.252 0.010 . 1 . . . . 141 S C . 17125 1 1493 . 1 1 141 141 SER CA C 13 57.202 0.044 . 1 . . . . 141 S CA . 17125 1 1494 . 1 1 141 141 SER CB C 13 64.153 0.200 . 1 . . . . 141 S CB . 17125 1 1495 . 1 1 141 141 SER N N 15 115.045 0.148 . 1 . . . . 141 S N . 17125 1 1496 . 1 1 142 142 ARG H H 1 8.718 0.030 . 1 . . . . 142 R HN . 17125 1 1497 . 1 1 142 142 ARG HA H 1 4.842 0.005 . 1 . . . . 142 R HA . 17125 1 1498 . 1 1 142 142 ARG HB2 H 1 2.050 0.009 . . . . . . 142 R HB1 . 17125 1 1499 . 1 1 142 142 ARG HB3 H 1 1.989 0.006 . 2 . . . . 142 R HB2 . 17125 1 1500 . 1 1 142 142 ARG HD2 H 1 3.442 0.011 . . . . . . 142 R HD1 . 17125 1 1501 . 1 1 142 142 ARG HD3 H 1 3.272 0.023 . 2 . . . . 142 R HD2 . 17125 1 1502 . 1 1 142 142 ARG HE H 1 7.359 0.017 . 1 . . . . 142 R HE . 17125 1 1503 . 1 1 142 142 ARG HG2 H 1 1.738 0.016 . . . . . . 142 R HG1 . 17125 1 1504 . 1 1 142 142 ARG HG3 H 1 1.631 0.007 . 2 . . . . 142 R HG2 . 17125 1 1505 . 1 1 142 142 ARG C C 13 173.998 0.010 . 1 . . . . 142 R C . 17125 1 1506 . 1 1 142 142 ARG CA C 13 55.374 0.162 . 1 . . . . 142 R CA . 17125 1 1507 . 1 1 142 142 ARG CB C 13 33.332 0.054 . 1 . . . . 142 R CB . 17125 1 1508 . 1 1 142 142 ARG CD C 13 43.224 0.043 . 1 . . . . 142 R CD . 17125 1 1509 . 1 1 142 142 ARG CG C 13 27.307 0.075 . 1 . . . . 142 R CG . 17125 1 1510 . 1 1 142 142 ARG N N 15 126.828 0.067 . 1 . . . . 142 R N . 17125 1 1511 . 1 1 142 142 ARG NE N 15 84.137 0.345 . 1 . . . . 142 R NE . 17125 1 1512 . 1 1 143 143 THR H H 1 9.240 0.037 . 1 . . . . 143 T HN . 17125 1 1513 . 1 1 143 143 THR HA H 1 4.878 0.020 . 1 . . . . 143 T HA . 17125 1 1514 . 1 1 143 143 THR HB H 1 3.902 0.008 . 1 . . . . 143 T HB . 17125 1 1515 . 1 1 143 143 THR HG21 H 1 0.991 0.011 . . . . . . 143 T HG2# . 17125 1 1516 . 1 1 143 143 THR HG22 H 1 0.991 0.011 . . . . . . 143 T HG2# . 17125 1 1517 . 1 1 143 143 THR HG23 H 1 0.991 0.011 . . . . . . 143 T HG2# . 17125 1 1518 . 1 1 143 143 THR C C 13 173.264 0.010 . 1 . . . . 143 T C . 17125 1 1519 . 1 1 143 143 THR CA C 13 62.797 0.010 . 1 . . . . 143 T CA . 17125 1 1520 . 1 1 143 143 THR CB C 13 70.224 0.146 . 1 . . . . 143 T CB . 17125 1 1521 . 1 1 143 143 THR CG2 C 13 21.456 0.126 . 1 . . . . 143 T CG2 . 17125 1 1522 . 1 1 143 143 THR N N 15 124.334 0.057 . 1 . . . . 143 T N . 17125 1 1523 . 1 1 144 144 VAL H H 1 9.242 0.026 . 1 . . . . 144 V HN . 17125 1 1524 . 1 1 144 144 VAL HA H 1 4.088 0.013 . 1 . . . . 144 V HA . 17125 1 1525 . 1 1 144 144 VAL HB H 1 0.802 0.015 . 1 . . . . 144 V HB . 17125 1 1526 . 1 1 144 144 VAL HG11 H 1 0.959 0.011 . . . . . . 144 V HG# . 17125 1 1527 . 1 1 144 144 VAL HG12 H 1 0.959 0.011 . . . . . . 144 V HG# . 17125 1 1528 . 1 1 144 144 VAL HG13 H 1 0.959 0.011 . . . . . . 144 V HG# . 17125 1 1529 . 1 1 144 144 VAL HG21 H 1 0.959 0.011 . . . . . . 144 V HG# . 17125 1 1530 . 1 1 144 144 VAL HG22 H 1 0.959 0.011 . . . . . . 144 V HG# . 17125 1 1531 . 1 1 144 144 VAL HG23 H 1 0.959 0.011 . . . . . . 144 V HG# . 17125 1 1532 . 1 1 144 144 VAL C C 13 174.261 0.010 . 1 . . . . 144 V C . 17125 1 1533 . 1 1 144 144 VAL CA C 13 61.561 0.282 . 1 . . . . 144 V CA . 17125 1 1534 . 1 1 144 144 VAL CB C 13 32.550 0.071 . 1 . . . . 144 V CB . 17125 1 1535 . 1 1 144 144 VAL CG1 C 13 26.236 14.311 . . . . . . 144 V CG# . 17125 1 1536 . 1 1 144 144 VAL CG2 C 13 26.236 14.311 . . . . . . 144 V CG# . 17125 1 1537 . 1 1 144 144 VAL N N 15 130.928 0.043 . 1 . . . . 144 V N . 17125 1 1538 . 1 1 145 145 GLU H H 1 8.662 0.031 . 1 . . . . 145 E HN . 17125 1 1539 . 1 1 145 145 GLU HA H 1 4.570 0.012 . 1 . . . . 145 E HA . 17125 1 1540 . 1 1 145 145 GLU HB2 H 1 1.937 0.012 . . . . . . 145 E HB# . 17125 1 1541 . 1 1 145 145 GLU HB3 H 1 1.937 0.012 . . . . . . 145 E HB# . 17125 1 1542 . 1 1 145 145 GLU HG2 H 1 2.316 0.003 . . . . . . 145 E HG1 . 17125 1 1543 . 1 1 145 145 GLU HG3 H 1 2.187 0.002 . 2 . . . . 145 E HG2 . 17125 1 1544 . 1 1 145 145 GLU C C 13 175.463 0.010 . 1 . . . . 145 E C . 17125 1 1545 . 1 1 145 145 GLU CA C 13 56.306 0.010 . 1 . . . . 145 E CA . 17125 1 1546 . 1 1 145 145 GLU CB C 13 30.398 0.056 . 1 . . . . 145 E CB . 17125 1 1547 . 1 1 145 145 GLU CG C 13 36.356 0.061 . 1 . . . . 145 E CG . 17125 1 1548 . 1 1 145 145 GLU N N 15 126.705 0.082 . 1 . . . . 145 E N . 17125 1 1549 . 1 1 146 146 ASP H H 1 8.257 0.027 . 1 . . . . 146 D HN . 17125 1 1550 . 1 1 146 146 ASP HA H 1 4.936 0.019 . 1 . . . . 146 D HA . 17125 1 1551 . 1 1 146 146 ASP HB2 H 1 3.205 0.013 . . . . . . 146 D HB1 . 17125 1 1552 . 1 1 146 146 ASP HB3 H 1 2.136 0.021 . 2 . . . . 146 D HB2 . 17125 1 1553 . 1 1 146 146 ASP C C 13 174.315 0.010 . 1 . . . . 146 D C . 17125 1 1554 . 1 1 146 146 ASP CA C 13 52.892 0.020 . 1 . . . . 146 D CA . 17125 1 1555 . 1 1 146 146 ASP CB C 13 46.545 0.162 . 1 . . . . 146 D CB . 17125 1 1556 . 1 1 146 146 ASP N N 15 126.223 0.069 . 1 . . . . 146 D N . 17125 1 1557 . 1 1 147 147 THR H H 1 8.043 0.025 . 1 . . . . 147 T HN . 17125 1 1558 . 1 1 147 147 THR HA H 1 3.983 0.013 . 1 . . . . 147 T HA . 17125 1 1559 . 1 1 147 147 THR HB H 1 4.224 0.007 . 1 . . . . 147 T HB . 17125 1 1560 . 1 1 147 147 THR HG21 H 1 1.363 0.009 . . . . . . 147 T HG2# . 17125 1 1561 . 1 1 147 147 THR HG22 H 1 1.363 0.009 . . . . . . 147 T HG2# . 17125 1 1562 . 1 1 147 147 THR HG23 H 1 1.363 0.009 . . . . . . 147 T HG2# . 17125 1 1563 . 1 1 147 147 THR C C 13 175.420 0.010 . 1 . . . . 147 T C . 17125 1 1564 . 1 1 147 147 THR CA C 13 65.505 0.010 . 1 . . . . 147 T CA . 17125 1 1565 . 1 1 147 147 THR CB C 13 68.600 0.140 . 1 . . . . 147 T CB . 17125 1 1566 . 1 1 147 147 THR CG2 C 13 21.602 0.018 . 1 . . . . 147 T CG2 . 17125 1 1567 . 1 1 147 147 THR N N 15 118.321 0.092 . 1 . . . . 147 T N . 17125 1 1568 . 1 1 148 148 ASN H H 1 9.928 0.026 . 1 . . . . 148 N HN . 17125 1 1569 . 1 1 148 148 ASN HA H 1 5.206 0.012 . 1 . . . . 148 N HA . 17125 1 1570 . 1 1 148 148 ASN HB2 H 1 3.445 0.018 . . . . . . 148 N HB1 . 17125 1 1571 . 1 1 148 148 ASN HB3 H 1 2.899 0.017 . 2 . . . . 148 N HB2 . 17125 1 1572 . 1 1 148 148 ASN HD21 H 1 7.951 0.006 . 2 . . . . 148 N HD21 . 17125 1 1573 . 1 1 148 148 ASN HD22 H 1 7.281 0.034 . 2 . . . . 148 N HD22 . 17125 1 1574 . 1 1 148 148 ASN CA C 13 49.130 0.153 . 1 . . . . 148 N CA . 17125 1 1575 . 1 1 148 148 ASN CB C 13 38.060 0.086 . 1 . . . . 148 N CB . 17125 1 1576 . 1 1 148 148 ASN N N 15 122.601 0.091 . 1 . . . . 148 N N . 17125 1 1577 . 1 1 148 148 ASN ND2 N 15 111.152 0.058 . 1 . . . . 148 N ND2 . 17125 1 1578 . 1 1 149 149 PRO HA H 1 4.507 0.015 . 1 . . . . 149 P HA . 17125 1 1579 . 1 1 149 149 PRO HB2 H 1 2.502 0.008 . . . . . . 149 P HB1 . 17125 1 1580 . 1 1 149 149 PRO HB3 H 1 2.085 0.002 . 2 . . . . 149 P HB2 . 17125 1 1581 . 1 1 149 149 PRO HD2 H 1 4.239 0.009 . . . . . . 149 P HD1 . 17125 1 1582 . 1 1 149 149 PRO HD3 H 1 4.044 0.009 . 2 . . . . 149 P HD2 . 17125 1 1583 . 1 1 149 149 PRO HG2 H 1 2.158 0.019 . . . . . . 149 P HG# . 17125 1 1584 . 1 1 149 149 PRO HG3 H 1 2.158 0.019 . . . . . . 149 P HG# . 17125 1 1585 . 1 1 149 149 PRO C C 13 178.811 0.010 . 1 . . . . 149 P C . 17125 1 1586 . 1 1 149 149 PRO CA C 13 64.488 0.010 . 1 . . . . 149 P CA . 17125 1 1587 . 1 1 149 149 PRO CB C 13 31.751 0.073 . 1 . . . . 149 P CB . 17125 1 1588 . 1 1 149 149 PRO CD C 13 50.681 0.065 . 1 . . . . 149 P CD . 17125 1 1589 . 1 1 149 149 PRO CG C 13 26.953 0.059 . 1 . . . . 149 P CG . 17125 1 1590 . 1 1 150 150 ALA H H 1 7.759 0.026 . 1 . . . . 150 A HN . 17125 1 1591 . 1 1 150 150 ALA HA H 1 4.066 0.026 . 1 . . . . 150 A HA . 17125 1 1592 . 1 1 150 150 ALA HB1 H 1 1.468 0.014 . . . . . . 150 A HB# . 17125 1 1593 . 1 1 150 150 ALA HB2 H 1 1.468 0.014 . . . . . . 150 A HB# . 17125 1 1594 . 1 1 150 150 ALA HB3 H 1 1.468 0.014 . . . . . . 150 A HB# . 17125 1 1595 . 1 1 150 150 ALA C C 13 177.337 0.010 . 1 . . . . 150 A C . 17125 1 1596 . 1 1 150 150 ALA CA C 13 53.633 0.121 . 1 . . . . 150 A CA . 17125 1 1597 . 1 1 150 150 ALA CB C 13 18.830 0.071 . 1 . . . . 150 A CB . 17125 1 1598 . 1 1 150 150 ALA N N 15 119.450 0.061 . 1 . . . . 150 A N . 17125 1 1599 . 1 1 151 151 LEU H H 1 8.215 0.024 . 1 . . . . 151 L HN . 17125 1 1600 . 1 1 151 151 LEU HA H 1 4.484 0.023 . 1 . . . . 151 L HA . 17125 1 1601 . 1 1 151 151 LEU HB2 H 1 2.032 0.016 . . . . . . 151 L HB1 . 17125 1 1602 . 1 1 151 151 LEU HB3 H 1 1.796 0.016 . 2 . . . . 151 L HB2 . 17125 1 1603 . 1 1 151 151 LEU HD11 H 1 1.153 0.018 . . . . . . 151 L HD1# . 17125 1 1604 . 1 1 151 151 LEU HD12 H 1 1.153 0.018 . . . . . . 151 L HD1# . 17125 1 1605 . 1 1 151 151 LEU HD13 H 1 1.153 0.018 . . . . . . 151 L HD1# . 17125 1 1606 . 1 1 151 151 LEU HD21 H 1 0.900 0.026 . . . . . . 151 L HD2# . 17125 1 1607 . 1 1 151 151 LEU HD22 H 1 0.900 0.026 . . . . . . 151 L HD2# . 17125 1 1608 . 1 1 151 151 LEU HD23 H 1 0.900 0.026 . . . . . . 151 L HD2# . 17125 1 1609 . 1 1 151 151 LEU HG H 1 1.645 0.020 . 1 . . . . 151 L HG . 17125 1 1610 . 1 1 151 151 LEU C C 13 178.414 0.010 . 1 . . . . 151 L C . 17125 1 1611 . 1 1 151 151 LEU CB C 13 41.186 0.092 . 1 . . . . 151 L CB . 17125 1 1612 . 1 1 151 151 LEU CD1 C 13 25.059 0.096 . 2 . . . . 151 L CD1 . 17125 1 1613 . 1 1 151 151 LEU CG C 13 26.951 0.062 . 1 . . . . 151 L CG . 17125 1 1614 . 1 1 151 151 LEU N N 15 113.015 0.182 . 1 . . . . 151 L N . 17125 1 1615 . 1 1 152 152 THR H H 1 7.452 0.024 . 1 . . . . 152 T HN . 17125 1 1616 . 1 1 152 152 THR HA H 1 4.421 0.018 . 1 . . . . 152 T HA . 17125 1 1617 . 1 1 152 152 THR HB H 1 4.256 0.012 . 1 . . . . 152 T HB . 17125 1 1618 . 1 1 152 152 THR HG21 H 1 1.215 0.015 . . . . . . 152 T HG2# . 17125 1 1619 . 1 1 152 152 THR HG22 H 1 1.215 0.015 . . . . . . 152 T HG2# . 17125 1 1620 . 1 1 152 152 THR HG23 H 1 1.215 0.015 . . . . . . 152 T HG2# . 17125 1 1621 . 1 1 152 152 THR C C 13 172.366 0.010 . 1 . . . . 152 T C . 17125 1 1622 . 1 1 152 152 THR CA C 13 64.459 0.177 . 1 . . . . 152 T CA . 17125 1 1623 . 1 1 152 152 THR CB C 13 69.131 0.225 . 1 . . . . 152 T CB . 17125 1 1624 . 1 1 152 152 THR CG2 C 13 21.904 0.072 . 1 . . . . 152 T CG2 . 17125 1 1625 . 1 1 152 152 THR N N 15 124.448 0.070 . 1 . . . . 152 T N . 17125 1 1626 . 1 1 153 153 HIS H H 1 8.639 0.026 . 1 . . . . 153 H HN . 17125 1 1627 . 1 1 153 153 HIS HA H 1 5.781 0.025 . 1 . . . . 153 H HA . 17125 1 1628 . 1 1 153 153 HIS HB2 H 1 2.307 0.014 . . . . . . 153 H HB1 . 17125 1 1629 . 1 1 153 153 HIS HB3 H 1 2.810 0.018 . 2 . . . . 153 H HB2 . 17125 1 1630 . 1 1 153 153 HIS HD2 H 1 6.009 0.010 . 1 . . . . 153 H HD2 . 17125 1 1631 . 1 1 153 153 HIS HE1 H 1 9.235 0.010 . 1 . . . . 153 H HE1 . 17125 1 1632 . 1 1 153 153 HIS C C 13 171.656 0.010 . 1 . . . . 153 H C . 17125 1 1633 . 1 1 153 153 HIS CA C 13 49.502 10.514 . 1 . . . . 153 H CA . 17125 1 1634 . 1 1 153 153 HIS CB C 13 30.512 0.134 . 1 . . . . 153 H CB . 17125 1 1635 . 1 1 153 153 HIS N N 15 120.814 0.182 . 1 . . . . 153 H N . 17125 1 1636 . 1 1 154 154 THR H H 1 8.714 0.024 . 1 . . . . 154 T HN . 17125 1 1637 . 1 1 154 154 THR HA H 1 5.104 0.013 . 1 . . . . 154 T HA . 17125 1 1638 . 1 1 154 154 THR HB H 1 3.830 0.011 . 1 . . . . 154 T HB . 17125 1 1639 . 1 1 154 154 THR HG21 H 1 1.142 0.011 . . . . . . 154 T HG2# . 17125 1 1640 . 1 1 154 154 THR HG22 H 1 1.142 0.011 . . . . . . 154 T HG2# . 17125 1 1641 . 1 1 154 154 THR HG23 H 1 1.142 0.011 . . . . . . 154 T HG2# . 17125 1 1642 . 1 1 154 154 THR C C 13 173.330 0.010 . 1 . . . . 154 T C . 17125 1 1643 . 1 1 154 154 THR CA C 13 60.577 0.010 . 1 . . . . 154 T CA . 17125 1 1644 . 1 1 154 154 THR CB C 13 71.273 0.107 . 1 . . . . 154 T CB . 17125 1 1645 . 1 1 154 154 THR CG2 C 13 21.835 0.057 . 1 . . . . 154 T CG2 . 17125 1 1646 . 1 1 154 154 THR N N 15 117.410 0.144 . 1 . . . . 154 T N . 17125 1 1647 . 1 1 155 155 TYR H H 1 9.197 0.023 . 1 . . . . 155 Y HN . 17125 1 1648 . 1 1 155 155 TYR HA H 1 5.213 0.012 . 1 . . . . 155 Y HA . 17125 1 1649 . 1 1 155 155 TYR HB2 H 1 3.110 0.014 . . . . . . 155 Y HB1 . 17125 1 1650 . 1 1 155 155 TYR HB3 H 1 2.768 0.018 . 2 . . . . 155 Y HB2 . 17125 1 1651 . 1 1 155 155 TYR HD1 H 1 6.778 0.013 . . . . . . 155 Y HD# . 17125 1 1652 . 1 1 155 155 TYR HD2 H 1 6.778 0.013 . . . . . . 155 Y HD# . 17125 1 1653 . 1 1 155 155 TYR HE1 H 1 6.509 0.015 . . . . . . 155 Y HE# . 17125 1 1654 . 1 1 155 155 TYR HE2 H 1 6.509 0.015 . . . . . . 155 Y HE# . 17125 1 1655 . 1 1 155 155 TYR C C 13 176.665 0.010 . 1 . . . . 155 Y C . 17125 1 1656 . 1 1 155 155 TYR CA C 13 56.897 0.010 . 1 . . . . 155 Y CA . 17125 1 1657 . 1 1 155 155 TYR CB C 13 38.924 0.157 . 1 . . . . 155 Y CB . 17125 1 1658 . 1 1 155 155 TYR CD1 C 13 132.534 0.090 . . . . . . 155 Y CD# . 17125 1 1659 . 1 1 155 155 TYR CD2 C 13 132.534 0.090 . . . . . . 155 Y CD# . 17125 1 1660 . 1 1 155 155 TYR CE1 C 13 117.488 0.016 . . . . . . 155 Y CE# . 17125 1 1661 . 1 1 155 155 TYR CE2 C 13 117.488 0.016 . . . . . . 155 Y CE# . 17125 1 1662 . 1 1 155 155 TYR N N 15 126.209 0.213 . 1 . . . . 155 Y N . 17125 1 1663 . 1 1 156 156 GLU H H 1 9.846 0.017 . 1 . . . . 156 E HN . 17125 1 1664 . 1 1 156 156 GLU HA H 1 5.430 0.024 . 1 . . . . 156 E HA . 17125 1 1665 . 1 1 156 156 GLU HB2 H 1 2.507 0.012 . . . . . . 156 E HB1 . 17125 1 1666 . 1 1 156 156 GLU HB3 H 1 2.124 0.011 . 2 . . . . 156 E HB2 . 17125 1 1667 . 1 1 156 156 GLU C C 13 176.494 0.010 . 1 . . . . 156 E C . 17125 1 1668 . 1 1 156 156 GLU CA C 13 53.848 0.146 . 1 . . . . 156 E CA . 17125 1 1669 . 1 1 156 156 GLU CB C 13 33.779 0.080 . 1 . . . . 156 E CB . 17125 1 1670 . 1 1 156 156 GLU N N 15 124.463 0.063 . 1 . . . . 156 E N . 17125 1 1671 . 1 1 157 157 VAL H H 1 8.022 0.031 . 1 . . . . 157 V HN . 17125 1 1672 . 1 1 157 157 VAL HA H 1 5.369 0.012 . 1 . . . . 157 V HA . 17125 1 1673 . 1 1 157 157 VAL HB H 1 2.097 0.012 . 1 . . . . 157 V HB . 17125 1 1674 . 1 1 157 157 VAL HG11 H 1 1.024 0.011 . . . . . . 157 V HG# . 17125 1 1675 . 1 1 157 157 VAL HG12 H 1 1.024 0.011 . . . . . . 157 V HG# . 17125 1 1676 . 1 1 157 157 VAL HG13 H 1 1.024 0.011 . . . . . . 157 V HG# . 17125 1 1677 . 1 1 157 157 VAL HG21 H 1 1.024 0.011 . . . . . . 157 V HG# . 17125 1 1678 . 1 1 157 157 VAL HG22 H 1 1.024 0.011 . . . . . . 157 V HG# . 17125 1 1679 . 1 1 157 157 VAL HG23 H 1 1.024 0.011 . . . . . . 157 V HG# . 17125 1 1680 . 1 1 157 157 VAL C C 13 175.341 0.010 . 1 . . . . 157 V C . 17125 1 1681 . 1 1 157 157 VAL CA C 13 61.702 0.260 . 1 . . . . 157 V CA . 17125 1 1682 . 1 1 157 157 VAL CB C 13 33.606 0.034 . 1 . . . . 157 V CB . 17125 1 1683 . 1 1 157 157 VAL CG1 C 13 20.189 0.008 . . . . . . 157 V CG# . 17125 1 1684 . 1 1 157 157 VAL CG2 C 13 20.189 0.008 . . . . . . 157 V CG# . 17125 1 1685 . 1 1 157 157 VAL N N 15 122.496 0.035 . 1 . . . . 157 V N . 17125 1 1686 . 1 1 158 158 TRP H H 1 9.880 0.030 . 1 . . . . 158 W HN . 17125 1 1687 . 1 1 158 158 TRP HA H 1 6.017 0.016 . 1 . . . . 158 W HA . 17125 1 1688 . 1 1 158 158 TRP HB2 H 1 3.180 0.021 . . . . . . 158 W HB1 . 17125 1 1689 . 1 1 158 158 TRP HB3 H 1 3.523 0.014 . 2 . . . . 158 W HB2 . 17125 1 1690 . 1 1 158 158 TRP HD1 H 1 7.179 0.010 . 1 . . . . 158 W HD1 . 17125 1 1691 . 1 1 158 158 TRP HE1 H 1 11.375 0.007 . 1 . . . . 158 W HE1 . 17125 1 1692 . 1 1 158 158 TRP HE3 H 1 7.591 0.024 . 1 . . . . 158 W HE3 . 17125 1 1693 . 1 1 158 158 TRP HZ2 H 1 7.367 0.008 . 1 . . . . 158 W Hz2 . 17125 1 1694 . 1 1 158 158 TRP C C 13 176.001 0.010 . 1 . . . . 158 W C . 17125 1 1695 . 1 1 158 158 TRP CA C 13 51.856 10.161 . 1 . . . . 158 W CA . 17125 1 1696 . 1 1 158 158 TRP CB C 13 30.987 0.071 . 1 . . . . 158 W CB . 17125 1 1697 . 1 1 158 158 TRP N N 15 127.563 0.061 . 1 . . . . 158 W N . 17125 1 1698 . 1 1 159 159 GLN H H 1 9.607 0.027 . 1 . . . . 159 Q HN . 17125 1 1699 . 1 1 159 159 GLN HA H 1 5.747 0.027 . 1 . . . . 159 Q HA . 17125 1 1700 . 1 1 159 159 GLN HB2 H 1 2.286 0.020 . . . . . . 159 Q HB1 . 17125 1 1701 . 1 1 159 159 GLN HB3 H 1 2.119 0.012 . 2 . . . . 159 Q HB2 . 17125 1 1702 . 1 1 159 159 GLN HE21 H 1 7.688 0.020 . 2 . . . . 159 Q HE21 . 17125 1 1703 . 1 1 159 159 GLN HE22 H 1 6.922 0.055 . 2 . . . . 159 Q HE22 . 17125 1 1704 . 1 1 159 159 GLN HG2 H 1 2.662 0.016 . . . . . . 159 Q HG1 . 17125 1 1705 . 1 1 159 159 GLN HG3 H 1 2.555 0.024 . 2 . . . . 159 Q HG2 . 17125 1 1706 . 1 1 159 159 GLN C C 13 175.860 0.010 . 1 . . . . 159 Q C . 17125 1 1707 . 1 1 159 159 GLN CA C 13 51.643 8.890 . 1 . . . . 159 Q CA . 17125 1 1708 . 1 1 159 159 GLN CB C 13 32.435 0.083 . 1 . . . . 159 Q CB . 17125 1 1709 . 1 1 159 159 GLN CG C 13 33.471 0.072 . 1 . . . . 159 Q CG . 17125 1 1710 . 1 1 159 159 GLN N N 15 120.562 0.052 . 1 . . . . 159 Q N . 17125 1 1711 . 1 1 159 159 GLN NE2 N 15 111.799 0.062 . . . . . . 159 Q NE . 17125 1 1712 . 1 1 160 160 LYS H H 1 8.981 0.045 . 1 . . . . 160 K HN . 17125 1 1713 . 1 1 160 160 LYS HA H 1 3.824 0.010 . 1 . . . . 160 K HA . 17125 1 1714 . 1 1 160 160 LYS HB2 H 1 1.595 0.017 . . . . . . 160 K HB1 . 17125 1 1715 . 1 1 160 160 LYS HB3 H 1 1.680 0.209 . 2 . . . . 160 K HB2 . 17125 1 1716 . 1 1 160 160 LYS HD2 H 1 1.797 0.160 . . . . . . 160 K HD# . 17125 1 1717 . 1 1 160 160 LYS HD3 H 1 1.797 0.160 . . . . . . 160 K HD# . 17125 1 1718 . 1 1 160 160 LYS HE2 H 1 2.906 0.012 . . . . . . 160 K HE# . 17125 1 1719 . 1 1 160 160 LYS HE3 H 1 2.906 0.012 . . . . . . 160 K HE# . 17125 1 1720 . 1 1 160 160 LYS HG2 H 1 0.870 0.004 . . . . . . 160 K HG1 . 17125 1 1721 . 1 1 160 160 LYS HG3 H 1 1.468 0.003 . 2 . . . . 160 K HG2 . 17125 1 1722 . 1 1 160 160 LYS C C 13 176.748 0.010 . 1 . . . . 160 K C . 17125 1 1723 . 1 1 160 160 LYS CA C 13 57.356 0.096 . 1 . . . . 160 K CA . 17125 1 1724 . 1 1 160 160 LYS CB C 13 32.729 0.010 . 1 . . . . 160 K CB . 17125 1 1725 . 1 1 160 160 LYS CG C 13 24.528 0.070 . 1 . . . . 160 K CG . 17125 1 1726 . 1 1 160 160 LYS N N 15 127.931 0.068 . 1 . . . . 160 K N . 17125 1 1727 . 1 1 161 161 LYS H H 1 8.670 0.026 . 1 . . . . 161 K HN . 17125 1 1728 . 1 1 161 161 LYS HA H 1 4.215 0.010 . 1 . . . . 161 K HA . 17125 1 1729 . 1 1 161 161 LYS HB2 H 1 1.917 0.014 . . . . . . 161 K HB1 . 17125 1 1730 . 1 1 161 161 LYS HB3 H 1 1.715 0.018 . 2 . . . . 161 K HB2 . 17125 1 1731 . 1 1 161 161 LYS HE2 H 1 3.050 0.010 . . . . . . 161 K HE# . 17125 1 1732 . 1 1 161 161 LYS HE3 H 1 3.050 0.010 . . . . . . 161 K HE# . 17125 1 1733 . 1 1 161 161 LYS HG2 H 1 1.535 0.007 . . . . . . 161 K HG1 . 17125 1 1734 . 1 1 161 161 LYS HG3 H 1 1.314 0.004 . 2 . . . . 161 K HG2 . 17125 1 1735 . 1 1 161 161 LYS C C 13 175.464 0.010 . 1 . . . . 161 K C . 17125 1 1736 . 1 1 161 161 LYS CA C 13 57.712 0.064 . 1 . . . . 161 K CA . 17125 1 1737 . 1 1 161 161 LYS CB C 13 32.996 0.087 . 1 . . . . 161 K CB . 17125 1 1738 . 1 1 161 161 LYS CE C 13 41.784 0.027 . 1 . . . . 161 K CE . 17125 1 1739 . 1 1 161 161 LYS CG C 13 25.803 0.047 . 1 . . . . 161 K CG . 17125 1 1740 . 1 1 161 161 LYS N N 15 127.368 0.072 . 1 . . . . 161 K N . 17125 1 1741 . 1 1 162 162 ALA H H 1 8.082 0.031 . 1 . . . . 162 A HN . 17125 1 1742 . 1 1 162 162 ALA HA H 1 4.218 0.011 . 1 . . . . 162 A HA . 17125 1 1743 . 1 1 162 162 ALA HB1 H 1 1.417 0.014 . . . . . . 162 A HB# . 17125 1 1744 . 1 1 162 162 ALA HB2 H 1 1.417 0.014 . . . . . . 162 A HB# . 17125 1 1745 . 1 1 162 162 ALA HB3 H 1 1.417 0.014 . . . . . . 162 A HB# . 17125 1 1746 . 1 1 162 162 ALA CA C 13 53.428 0.130 . 1 . . . . 162 A CA . 17125 1 1747 . 1 1 162 162 ALA CB C 13 20.071 0.110 . 1 . . . . 162 A CB . 17125 1 1748 . 1 1 162 162 ALA N N 15 131.402 0.080 . 1 . . . . 162 A N . 17125 1 stop_ save_