################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36771 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36771 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36771 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 36771 1 4 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36771 1 5 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 36771 1 6 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36771 1 7 '3D HNCA' 1 $sample_1 isotropic 36771 1 8 '3D HN(CO)CA' 1 $sample_1 isotropic 36771 1 9 '3D HNCO' 1 $sample_1 isotropic 36771 1 10 '3D HCACO' 1 $sample_1 isotropic 36771 1 11 '3D HNHA' 1 $sample_1 isotropic 36771 1 12 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36771 1 13 '3D HNCACB' 1 $sample_1 isotropic 36771 1 14 '3D HBHA(CO)NH' 1 $sample_1 isotropic 36771 1 15 '3D H(CCO)NH' 1 $sample_1 isotropic 36771 1 16 '2D 1H-1H NOESY' 2 $sample_2 isotropic 36771 1 17 '2D 1H-1H TOCSY' 2 $sample_2 isotropic 36771 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 GLY H H 1 8.336 0.001 . 1 . . . . A 23 GLY H . 36771 1 2 . 1 . 1 4 4 GLY HA2 H 1 4.011 0.016 . 2 . . . . A 23 GLY HA2 . 36771 1 3 . 1 . 1 4 4 GLY HA3 H 1 3.891 0.002 . 2 . . . . A 23 GLY HA3 . 36771 1 4 . 1 . 1 4 4 GLY C C 13 176.354 0.002 . 1 . . . . A 23 GLY C . 36771 1 5 . 1 . 1 4 4 GLY CA C 13 45.537 0.002 . 1 . . . . A 23 GLY CA . 36771 1 6 . 1 . 1 4 4 GLY N N 15 114.216 0.002 . 1 . . . . A 23 GLY N . 36771 1 7 . 1 . 1 5 5 TRP H H 1 8.470 0.005 . 1 . . . . A 24 TRP H . 36771 1 8 . 1 . 1 5 5 TRP HA H 1 4.562 0.009 . 1 . . . . A 24 TRP HA . 36771 1 9 . 1 . 1 5 5 TRP HB2 H 1 3.317 0.012 . 2 . . . . A 24 TRP HB2 . 36771 1 10 . 1 . 1 5 5 TRP HB3 H 1 3.036 0.009 . 2 . . . . A 24 TRP HB3 . 36771 1 11 . 1 . 1 5 5 TRP HE1 H 1 10.343 0.002 . 1 . . . . A 24 TRP HE1 . 36771 1 12 . 1 . 1 5 5 TRP C C 13 173.664 0.002 . 1 . . . . A 24 TRP C . 36771 1 13 . 1 . 1 5 5 TRP CA C 13 57.617 0.001 . 1 . . . . A 24 TRP CA . 36771 1 14 . 1 . 1 5 5 TRP CB C 13 29.736 0.021 . 1 . . . . A 24 TRP CB . 36771 1 15 . 1 . 1 5 5 TRP N N 15 122.739 0.004 . 1 . . . . A 24 TRP N . 36771 1 16 . 1 . 1 5 5 TRP NE1 N 15 129.441 0.002 . 1 . . . . A 24 TRP NE1 . 36771 1 17 . 1 . 1 6 6 GLU H H 1 9.037 0.005 . 1 . . . . A 25 GLU H . 36771 1 18 . 1 . 1 6 6 GLU HA H 1 4.498 0.011 . 1 . . . . A 25 GLU HA . 36771 1 19 . 1 . 1 6 6 GLU HB2 H 1 2.074 0.008 . 2 . . . . A 25 GLU HB2 . 36771 1 20 . 1 . 1 6 6 GLU HB3 H 1 2.102 0.007 . 2 . . . . A 25 GLU HB3 . 36771 1 21 . 1 . 1 6 6 GLU HG2 H 1 2.300 0.003 . 2 . . . . A 25 GLU HG2 . 36771 1 22 . 1 . 1 6 6 GLU HG3 H 1 2.190 0.001 . 2 . . . . A 25 GLU HG3 . 36771 1 23 . 1 . 1 6 6 GLU C C 13 176.075 0.002 . 1 . . . . A 25 GLU C . 36771 1 24 . 1 . 1 6 6 GLU CA C 13 55.893 0.017 . 1 . . . . A 25 GLU CA . 36771 1 25 . 1 . 1 6 6 GLU CB C 13 29.883 0.001 . 1 . . . . A 25 GLU CB . 36771 1 26 . 1 . 1 6 6 GLU CG C 13 36.321 0.001 . 1 . . . . A 25 GLU CG . 36771 1 27 . 1 . 1 6 6 GLU N N 15 125.945 0.012 . 1 . . . . A 25 GLU N . 36771 1 28 . 1 . 1 7 7 VAL H H 1 8.287 0.003 . 1 . . . . A 26 VAL H . 36771 1 29 . 1 . 1 7 7 VAL HA H 1 4.231 0.003 . 1 . . . . A 26 VAL HA . 36771 1 30 . 1 . 1 7 7 VAL HB H 1 1.784 0.008 . 1 . . . . A 26 VAL HB . 36771 1 31 . 1 . 1 7 7 VAL HG11 H 1 0.622 0.006 . 2 . . . . A 26 VAL HG11 . 36771 1 32 . 1 . 1 7 7 VAL HG12 H 1 0.622 0.006 . 2 . . . . A 26 VAL HG12 . 36771 1 33 . 1 . 1 7 7 VAL HG13 H 1 0.622 0.006 . 2 . . . . A 26 VAL HG13 . 36771 1 34 . 1 . 1 7 7 VAL HG21 H 1 0.929 0.016 . 2 . . . . A 26 VAL HG21 . 36771 1 35 . 1 . 1 7 7 VAL HG22 H 1 0.929 0.016 . 2 . . . . A 26 VAL HG22 . 36771 1 36 . 1 . 1 7 7 VAL HG23 H 1 0.929 0.016 . 2 . . . . A 26 VAL HG23 . 36771 1 37 . 1 . 1 7 7 VAL C C 13 175.075 0.002 . 1 . . . . A 26 VAL C . 36771 1 38 . 1 . 1 7 7 VAL CA C 13 59.727 0.050 . 1 . . . . A 26 VAL CA . 36771 1 39 . 1 . 1 7 7 VAL CB C 13 34.092 0.011 . 1 . . . . A 26 VAL CB . 36771 1 40 . 1 . 1 7 7 VAL CG1 C 13 20.364 0.025 . 2 . . . . A 26 VAL CG1 . 36771 1 41 . 1 . 1 7 7 VAL CG2 C 13 20.429 0.001 . 2 . . . . A 26 VAL CG2 . 36771 1 42 . 1 . 1 7 7 VAL N N 15 125.727 0.012 . 1 . . . . A 26 VAL N . 36771 1 43 . 1 . 1 8 8 PRO HA H 1 4.396 0.005 . 1 . . . . A 27 PRO HA . 36771 1 44 . 1 . 1 8 8 PRO HB2 H 1 2.546 0.009 . 2 . . . . A 27 PRO HB2 . 36771 1 45 . 1 . 1 8 8 PRO HB3 H 1 1.714 0.006 . 2 . . . . A 27 PRO HB3 . 36771 1 46 . 1 . 1 8 8 PRO HD2 H 1 2.577 0.010 . 2 . . . . A 27 PRO HD2 . 36771 1 47 . 1 . 1 8 8 PRO HD3 H 1 3.796 0.004 . 2 . . . . A 27 PRO HD3 . 36771 1 48 . 1 . 1 8 8 PRO CA C 13 62.887 0.010 . 1 . . . . A 27 PRO CA . 36771 1 49 . 1 . 1 8 8 PRO CB C 13 32.678 0.038 . 1 . . . . A 27 PRO CB . 36771 1 50 . 1 . 1 8 8 PRO CD C 13 51.253 0.017 . 1 . . . . A 27 PRO CD . 36771 1 51 . 1 . 1 9 9 GLU H H 1 8.888 0.013 . 1 . . . . A 28 GLU H . 36771 1 52 . 1 . 1 9 9 GLU HA H 1 3.838 0.007 . 1 . . . . A 28 GLU HA . 36771 1 53 . 1 . 1 9 9 GLU HB2 H 1 2.084 0.007 . 2 . . . . A 28 GLU HB2 . 36771 1 54 . 1 . 1 9 9 GLU HB3 H 1 2.044 0.001 . 2 . . . . A 28 GLU HB3 . 36771 1 55 . 1 . 1 9 9 GLU HG2 H 1 2.321 0.006 . 2 . . . . A 28 GLU HG2 . 36771 1 56 . 1 . 1 9 9 GLU HG3 H 1 2.363 0.001 . 2 . . . . A 28 GLU HG3 . 36771 1 57 . 1 . 1 9 9 GLU C C 13 178.052 0.002 . 1 . . . . A 28 GLU C . 36771 1 58 . 1 . 1 9 9 GLU CA C 13 60.254 0.036 . 1 . . . . A 28 GLU CA . 36771 1 59 . 1 . 1 9 9 GLU CB C 13 29.626 0.001 . 1 . . . . A 28 GLU CB . 36771 1 60 . 1 . 1 9 9 GLU CG C 13 36.500 0.002 . 1 . . . . A 28 GLU CG . 36771 1 61 . 1 . 1 9 9 GLU N N 15 126.268 0.008 . 1 . . . . A 28 GLU N . 36771 1 62 . 1 . 1 10 10 ALA H H 1 8.714 0.001 . 1 . . . . A 29 ALA H . 36771 1 63 . 1 . 1 10 10 ALA HA H 1 4.082 0.009 . 1 . . . . A 29 ALA HA . 36771 1 64 . 1 . 1 10 10 ALA HB1 H 1 1.402 0.012 . 1 . . . . A 29 ALA HB1 . 36771 1 65 . 1 . 1 10 10 ALA HB2 H 1 1.402 0.012 . 1 . . . . A 29 ALA HB2 . 36771 1 66 . 1 . 1 10 10 ALA HB3 H 1 1.402 0.012 . 1 . . . . A 29 ALA HB3 . 36771 1 67 . 1 . 1 10 10 ALA C C 13 177.856 0.002 . 1 . . . . A 29 ALA C . 36771 1 68 . 1 . 1 10 10 ALA CA C 13 54.756 0.022 . 1 . . . . A 29 ALA CA . 36771 1 69 . 1 . 1 10 10 ALA CB C 13 18.682 0.006 . 1 . . . . A 29 ALA CB . 36771 1 70 . 1 . 1 10 10 ALA N N 15 117.466 0.025 . 1 . . . . A 29 ALA N . 36771 1 71 . 1 . 1 11 11 GLU H H 1 7.283 0.005 . 1 . . . . A 30 GLU H . 36771 1 72 . 1 . 1 11 11 GLU HA H 1 4.285 0.010 . 1 . . . . A 30 GLU HA . 36771 1 73 . 1 . 1 11 11 GLU HB2 H 1 1.815 0.015 . 2 . . . . A 30 GLU HB2 . 36771 1 74 . 1 . 1 11 11 GLU HB3 H 1 1.571 0.008 . 2 . . . . A 30 GLU HB3 . 36771 1 75 . 1 . 1 11 11 GLU HG2 H 1 2.123 0.019 . 2 . . . . A 30 GLU HG2 . 36771 1 76 . 1 . 1 11 11 GLU HG3 H 1 2.123 0.019 . 2 . . . . A 30 GLU HG3 . 36771 1 77 . 1 . 1 11 11 GLU C C 13 180.368 0.002 . 1 . . . . A 30 GLU C . 36771 1 78 . 1 . 1 11 11 GLU CA C 13 56.912 0.041 . 1 . . . . A 30 GLU CA . 36771 1 79 . 1 . 1 11 11 GLU CB C 13 28.398 0.018 . 1 . . . . A 30 GLU CB . 36771 1 80 . 1 . 1 11 11 GLU CG C 13 35.007 0.036 . 1 . . . . A 30 GLU CG . 36771 1 81 . 1 . 1 11 11 GLU N N 15 112.620 0.006 . 1 . . . . A 30 GLU N . 36771 1 82 . 1 . 1 12 12 ILE H H 1 7.315 0.008 . 1 . . . . A 31 ILE H . 36771 1 83 . 1 . 1 12 12 ILE HA H 1 3.226 0.007 . 1 . . . . A 31 ILE HA . 36771 1 84 . 1 . 1 12 12 ILE HB H 1 1.703 0.007 . 1 . . . . A 31 ILE HB . 36771 1 85 . 1 . 1 12 12 ILE HG12 H 1 0.871 0.012 . 2 . . . . A 31 ILE HG12 . 36771 1 86 . 1 . 1 12 12 ILE HG13 H 1 1.413 0.013 . 2 . . . . A 31 ILE HG13 . 36771 1 87 . 1 . 1 12 12 ILE HG21 H 1 0.654 0.009 . 1 . . . . A 31 ILE HG21 . 36771 1 88 . 1 . 1 12 12 ILE HG22 H 1 0.654 0.009 . 1 . . . . A 31 ILE HG22 . 36771 1 89 . 1 . 1 12 12 ILE HG23 H 1 0.654 0.009 . 1 . . . . A 31 ILE HG23 . 36771 1 90 . 1 . 1 12 12 ILE HD11 H 1 0.800 0.004 . 1 . . . . A 31 ILE HD11 . 36771 1 91 . 1 . 1 12 12 ILE HD12 H 1 0.800 0.004 . 1 . . . . A 31 ILE HD12 . 36771 1 92 . 1 . 1 12 12 ILE HD13 H 1 0.800 0.004 . 1 . . . . A 31 ILE HD13 . 36771 1 93 . 1 . 1 12 12 ILE C C 13 178.068 0.002 . 1 . . . . A 31 ILE C . 36771 1 94 . 1 . 1 12 12 ILE CA C 13 64.948 0.012 . 1 . . . . A 31 ILE CA . 36771 1 95 . 1 . 1 12 12 ILE CB C 13 37.745 0.026 . 1 . . . . A 31 ILE CB . 36771 1 96 . 1 . 1 12 12 ILE CG1 C 13 28.942 0.009 . 1 . . . . A 31 ILE CG1 . 36771 1 97 . 1 . 1 12 12 ILE CG2 C 13 16.617 0.023 . 1 . . . . A 31 ILE CG2 . 36771 1 98 . 1 . 1 12 12 ILE CD1 C 13 13.424 0.021 . 1 . . . . A 31 ILE CD1 . 36771 1 99 . 1 . 1 12 12 ILE N N 15 117.800 0.019 . 1 . . . . A 31 ILE N . 36771 1 100 . 1 . 1 13 13 HIS H H 1 7.261 0.005 . 1 . . . . A 32 HIS H . 36771 1 101 . 1 . 1 13 13 HIS HA H 1 4.682 0.028 . 1 . . . . A 32 HIS HA . 36771 1 102 . 1 . 1 13 13 HIS HB2 H 1 3.443 0.007 . 2 . . . . A 32 HIS HB2 . 36771 1 103 . 1 . 1 13 13 HIS HB3 H 1 2.863 0.006 . 2 . . . . A 32 HIS HB3 . 36771 1 104 . 1 . 1 13 13 HIS C C 13 178.852 0.002 . 1 . . . . A 32 HIS C . 36771 1 105 . 1 . 1 13 13 HIS CA C 13 55.744 0.001 . 1 . . . . A 32 HIS CA . 36771 1 106 . 1 . 1 13 13 HIS CB C 13 30.072 0.033 . 1 . . . . A 32 HIS CB . 36771 1 107 . 1 . 1 13 13 HIS N N 15 114.162 0.011 . 1 . . . . A 32 HIS N . 36771 1 108 . 1 . 1 14 14 ARG H H 1 7.154 0.015 . 1 . . . . A 33 ARG H . 36771 1 109 . 1 . 1 14 14 ARG HA H 1 4.103 0.006 . 1 . . . . A 33 ARG HA . 36771 1 110 . 1 . 1 14 14 ARG HB2 H 1 2.088 0.012 . 2 . . . . A 33 ARG HB2 . 36771 1 111 . 1 . 1 14 14 ARG HB3 H 1 2.069 0.006 . 2 . . . . A 33 ARG HB3 . 36771 1 112 . 1 . 1 14 14 ARG HG2 H 1 1.799 0.010 . 2 . . . . A 33 ARG HG2 . 36771 1 113 . 1 . 1 14 14 ARG HG3 H 1 1.890 0.004 . 2 . . . . A 33 ARG HG3 . 36771 1 114 . 1 . 1 14 14 ARG HD2 H 1 3.435 0.009 . 2 . . . . A 33 ARG HD2 . 36771 1 115 . 1 . 1 14 14 ARG HD3 H 1 3.661 0.002 . 2 . . . . A 33 ARG HD3 . 36771 1 116 . 1 . 1 14 14 ARG C C 13 174.136 0.002 . 1 . . . . A 33 ARG C . 36771 1 117 . 1 . 1 14 14 ARG CA C 13 57.710 0.040 . 1 . . . . A 33 ARG CA . 36771 1 118 . 1 . 1 14 14 ARG CB C 13 30.947 0.005 . 1 . . . . A 33 ARG CB . 36771 1 119 . 1 . 1 14 14 ARG CG C 13 27.226 0.003 . 1 . . . . A 33 ARG CG . 36771 1 120 . 1 . 1 14 14 ARG CD C 13 43.728 0.020 . 1 . . . . A 33 ARG CD . 36771 1 121 . 1 . 1 14 14 ARG N N 15 123.732 0.013 . 1 . . . . A 33 ARG N . 36771 1 122 . 1 . 1 15 15 GLU H H 1 8.569 0.004 . 1 . . . . A 34 GLU H . 36771 1 123 . 1 . 1 15 15 GLU HA H 1 4.004 0.003 . 1 . . . . A 34 GLU HA . 36771 1 124 . 1 . 1 15 15 GLU HB2 H 1 1.747 0.009 . 2 . . . . A 34 GLU HB2 . 36771 1 125 . 1 . 1 15 15 GLU HB3 H 1 1.749 0.009 . 2 . . . . A 34 GLU HB3 . 36771 1 126 . 1 . 1 15 15 GLU HG2 H 1 1.997 0.010 . 2 . . . . A 34 GLU HG2 . 36771 1 127 . 1 . 1 15 15 GLU HG3 H 1 2.176 0.013 . 2 . . . . A 34 GLU HG3 . 36771 1 128 . 1 . 1 15 15 GLU C C 13 175.635 0.002 . 1 . . . . A 34 GLU C . 36771 1 129 . 1 . 1 15 15 GLU CA C 13 56.086 0.026 . 1 . . . . A 34 GLU CA . 36771 1 130 . 1 . 1 15 15 GLU CB C 13 30.677 0.023 . 1 . . . . A 34 GLU CB . 36771 1 131 . 1 . 1 15 15 GLU CG C 13 36.374 0.017 . 1 . . . . A 34 GLU CG . 36771 1 132 . 1 . 1 15 15 GLU N N 15 127.534 0.007 . 1 . . . . A 34 GLU N . 36771 1 133 . 1 . 1 16 16 ASN H H 1 8.299 0.004 . 1 . . . . A 35 ASN H . 36771 1 134 . 1 . 1 16 16 ASN HA H 1 2.377 0.003 . 1 . . . . A 35 ASN HA . 36771 1 135 . 1 . 1 16 16 ASN HB2 H 1 2.184 0.010 . 2 . . . . A 35 ASN HB2 . 36771 1 136 . 1 . 1 16 16 ASN HB3 H 1 2.778 0.010 . 2 . . . . A 35 ASN HB3 . 36771 1 137 . 1 . 1 16 16 ASN HD21 H 1 7.436 0.019 . 1 . . . . A 35 ASN HD21 . 36771 1 138 . 1 . 1 16 16 ASN HD22 H 1 6.069 0.008 . 1 . . . . A 35 ASN HD22 . 36771 1 139 . 1 . 1 16 16 ASN C C 13 174.727 0.002 . 1 . . . . A 35 ASN C . 36771 1 140 . 1 . 1 16 16 ASN CA C 13 48.544 0.038 . 1 . . . . A 35 ASN CA . 36771 1 141 . 1 . 1 16 16 ASN CB C 13 39.620 0.020 . 1 . . . . A 35 ASN CB . 36771 1 142 . 1 . 1 16 16 ASN N N 15 122.178 0.006 . 1 . . . . A 35 ASN N . 36771 1 143 . 1 . 1 16 16 ASN ND2 N 15 105.278 0.003 . 1 . . . . A 35 ASN ND2 . 36771 1 144 . 1 . 1 17 17 PRO HA H 1 4.298 0.002 . 1 . . . . A 36 PRO HA . 36771 1 145 . 1 . 1 17 17 PRO HB2 H 1 1.874 0.004 . 2 . . . . A 36 PRO HB2 . 36771 1 146 . 1 . 1 17 17 PRO HB3 H 1 1.874 0.004 . 2 . . . . A 36 PRO HB3 . 36771 1 147 . 1 . 1 17 17 PRO HG2 H 1 1.803 0.012 . 2 . . . . A 36 PRO HG2 . 36771 1 148 . 1 . 1 17 17 PRO HG3 H 1 1.340 0.026 . 2 . . . . A 36 PRO HG3 . 36771 1 149 . 1 . 1 17 17 PRO HD2 H 1 1.468 0.003 . 2 . . . . A 36 PRO HD2 . 36771 1 150 . 1 . 1 17 17 PRO HD3 H 1 3.243 0.006 . 2 . . . . A 36 PRO HD3 . 36771 1 151 . 1 . 1 17 17 PRO CA C 13 62.794 0.001 . 1 . . . . A 36 PRO CA . 36771 1 152 . 1 . 1 17 17 PRO CB C 13 32.301 0.041 . 1 . . . . A 36 PRO CB . 36771 1 153 . 1 . 1 17 17 PRO CG C 13 25.280 0.007 . 1 . . . . A 36 PRO CG . 36771 1 154 . 1 . 1 17 17 PRO CD C 13 48.334 0.008 . 1 . . . . A 36 PRO CD . 36771 1 155 . 1 . 1 18 18 ILE H H 1 7.858 0.001 . 1 . . . . A 37 ILE H . 36771 1 156 . 1 . 1 18 18 ILE HA H 1 4.352 0.004 . 1 . . . . A 37 ILE HA . 36771 1 157 . 1 . 1 18 18 ILE HB H 1 2.188 0.011 . 1 . . . . A 37 ILE HB . 36771 1 158 . 1 . 1 18 18 ILE HG12 H 1 1.376 0.009 . 2 . . . . A 37 ILE HG12 . 36771 1 159 . 1 . 1 18 18 ILE HG13 H 1 1.376 0.011 . 2 . . . . A 37 ILE HG13 . 36771 1 160 . 1 . 1 18 18 ILE HG21 H 1 0.801 0.003 . 1 . . . . A 37 ILE HG21 . 36771 1 161 . 1 . 1 18 18 ILE HG22 H 1 0.801 0.003 . 1 . . . . A 37 ILE HG22 . 36771 1 162 . 1 . 1 18 18 ILE HG23 H 1 0.801 0.003 . 1 . . . . A 37 ILE HG23 . 36771 1 163 . 1 . 1 18 18 ILE HD11 H 1 0.640 0.007 . 1 . . . . A 37 ILE HD11 . 36771 1 164 . 1 . 1 18 18 ILE HD12 H 1 0.640 0.007 . 1 . . . . A 37 ILE HD12 . 36771 1 165 . 1 . 1 18 18 ILE HD13 H 1 0.640 0.007 . 1 . . . . A 37 ILE HD13 . 36771 1 166 . 1 . 1 18 18 ILE C C 13 175.676 0.002 . 1 . . . . A 37 ILE C . 36771 1 167 . 1 . 1 18 18 ILE CA C 13 55.158 0.001 . 1 . . . . A 37 ILE CA . 36771 1 168 . 1 . 1 18 18 ILE CB C 13 36.310 0.001 . 1 . . . . A 37 ILE CB . 36771 1 169 . 1 . 1 18 18 ILE CG1 C 13 27.628 0.001 . 1 . . . . A 37 ILE CG1 . 36771 1 170 . 1 . 1 18 18 ILE CG2 C 13 16.263 0.027 . 1 . . . . A 37 ILE CG2 . 36771 1 171 . 1 . 1 18 18 ILE CD1 C 13 8.763 0.016 . 1 . . . . A 37 ILE CD1 . 36771 1 172 . 1 . 1 18 18 ILE N N 15 124.469 0.011 . 1 . . . . A 37 ILE N . 36771 1 173 . 1 . 1 20 20 PRO HA H 1 4.568 0.012 . 1 . . . . A 39 PRO HA . 36771 1 174 . 1 . 1 20 20 PRO HB2 H 1 2.313 0.009 . 2 . . . . A 39 PRO HB2 . 36771 1 175 . 1 . 1 20 20 PRO HB3 H 1 2.313 0.009 . 2 . . . . A 39 PRO HB3 . 36771 1 176 . 1 . 1 20 20 PRO HD2 H 1 3.620 0.002 . 2 . . . . A 39 PRO HD2 . 36771 1 177 . 1 . 1 20 20 PRO HD3 H 1 3.506 0.004 . 2 . . . . A 39 PRO HD3 . 36771 1 178 . 1 . 1 20 20 PRO CA C 13 61.704 0.015 . 1 . . . . A 39 PRO CA . 36771 1 179 . 1 . 1 20 20 PRO CB C 13 28.028 0.001 . 1 . . . . A 39 PRO CB . 36771 1 180 . 1 . 1 20 20 PRO CD C 13 49.508 0.032 . 1 . . . . A 39 PRO CD . 36771 1 181 . 1 . 1 21 21 ASP H H 1 8.245 0.004 . 1 . . . . A 40 ASP H . 36771 1 182 . 1 . 1 21 21 ASP HA H 1 4.474 0.010 . 1 . . . . A 40 ASP HA . 36771 1 183 . 1 . 1 21 21 ASP HB2 H 1 3.118 0.008 . 2 . . . . A 40 ASP HB2 . 36771 1 184 . 1 . 1 21 21 ASP HB3 H 1 2.541 0.010 . 2 . . . . A 40 ASP HB3 . 36771 1 185 . 1 . 1 21 21 ASP C C 13 174.871 0.002 . 1 . . . . A 40 ASP C . 36771 1 186 . 1 . 1 21 21 ASP CA C 13 51.801 0.008 . 1 . . . . A 40 ASP CA . 36771 1 187 . 1 . 1 21 21 ASP CB C 13 41.323 0.032 . 1 . . . . A 40 ASP CB . 36771 1 188 . 1 . 1 21 21 ASP N N 15 123.068 0.012 . 1 . . . . A 40 ASP N . 36771 1 189 . 1 . 1 22 22 ALA H H 1 8.069 0.004 . 1 . . . . A 41 ALA H . 36771 1 190 . 1 . 1 22 22 ALA HA H 1 3.924 0.006 . 1 . . . . A 41 ALA HA . 36771 1 191 . 1 . 1 22 22 ALA HB1 H 1 1.373 0.003 . 1 . . . . A 41 ALA HB1 . 36771 1 192 . 1 . 1 22 22 ALA HB2 H 1 1.373 0.003 . 1 . . . . A 41 ALA HB2 . 36771 1 193 . 1 . 1 22 22 ALA HB3 H 1 1.373 0.003 . 1 . . . . A 41 ALA HB3 . 36771 1 194 . 1 . 1 22 22 ALA C C 13 174.811 0.002 . 1 . . . . A 41 ALA C . 36771 1 195 . 1 . 1 22 22 ALA CA C 13 55.676 0.025 . 1 . . . . A 41 ALA CA . 36771 1 196 . 1 . 1 22 22 ALA CB C 13 18.144 0.013 . 1 . . . . A 41 ALA CB . 36771 1 197 . 1 . 1 22 22 ALA N N 15 119.358 0.005 . 1 . . . . A 41 ALA N . 36771 1 198 . 1 . 1 23 23 ARG H H 1 7.614 0.008 . 1 . . . . A 42 ARG H . 36771 1 199 . 1 . 1 23 23 ARG HA H 1 3.897 0.009 . 1 . . . . A 42 ARG HA . 36771 1 200 . 1 . 1 23 23 ARG HB2 H 1 1.859 0.002 . 2 . . . . A 42 ARG HB2 . 36771 1 201 . 1 . 1 23 23 ARG HB3 H 1 1.734 0.005 . 2 . . . . A 42 ARG HB3 . 36771 1 202 . 1 . 1 23 23 ARG HG2 H 1 1.621 0.003 . 2 . . . . A 42 ARG HG2 . 36771 1 203 . 1 . 1 23 23 ARG HG3 H 1 1.582 0.007 . 2 . . . . A 42 ARG HG3 . 36771 1 204 . 1 . 1 23 23 ARG HD2 H 1 2.991 0.011 . 2 . . . . A 42 ARG HD2 . 36771 1 205 . 1 . 1 23 23 ARG HD3 H 1 3.298 0.014 . 2 . . . . A 42 ARG HD3 . 36771 1 206 . 1 . 1 23 23 ARG C C 13 179.811 0.002 . 1 . . . . A 42 ARG C . 36771 1 207 . 1 . 1 23 23 ARG CA C 13 59.446 0.029 . 1 . . . . A 42 ARG CA . 36771 1 208 . 1 . 1 23 23 ARG CB C 13 27.703 0.001 . 1 . . . . A 42 ARG CB . 36771 1 209 . 1 . 1 23 23 ARG CG C 13 24.169 0.001 . 1 . . . . A 42 ARG CG . 36771 1 210 . 1 . 1 23 23 ARG CD C 13 41.586 0.065 . 1 . . . . A 42 ARG CD . 36771 1 211 . 1 . 1 23 23 ARG N N 15 116.884 0.005 . 1 . . . . A 42 ARG N . 36771 1 212 . 1 . 1 24 24 SER H H 1 7.938 0.010 . 1 . . . . A 43 SER H . 36771 1 213 . 1 . 1 24 24 SER HA H 1 3.836 0.005 . 1 . . . . A 43 SER HA . 36771 1 214 . 1 . 1 24 24 SER HB2 H 1 4.069 0.015 . 2 . . . . A 43 SER HB2 . 36771 1 215 . 1 . 1 24 24 SER HB3 H 1 3.941 0.006 . 2 . . . . A 43 SER HB3 . 36771 1 216 . 1 . 1 24 24 SER C C 13 178.495 0.002 . 1 . . . . A 43 SER C . 36771 1 217 . 1 . 1 24 24 SER CA C 13 61.153 0.012 . 1 . . . . A 43 SER CA . 36771 1 218 . 1 . 1 24 24 SER CB C 13 65.212 0.028 . 1 . . . . A 43 SER CB . 36771 1 219 . 1 . 1 24 24 SER N N 15 113.699 0.005 . 1 . . . . A 43 SER N . 36771 1 220 . 1 . 1 25 25 LEU H H 1 8.263 0.009 . 1 . . . . A 44 LEU H . 36771 1 221 . 1 . 1 25 25 LEU HA H 1 3.946 0.011 . 1 . . . . A 44 LEU HA . 36771 1 222 . 1 . 1 25 25 LEU HB2 H 1 1.483 0.009 . 2 . . . . A 44 LEU HB2 . 36771 1 223 . 1 . 1 25 25 LEU HB3 H 1 1.749 0.018 . 2 . . . . A 44 LEU HB3 . 36771 1 224 . 1 . 1 25 25 LEU HG H 1 1.729 0.006 . 1 . . . . A 44 LEU HG . 36771 1 225 . 1 . 1 25 25 LEU HD11 H 1 0.671 0.012 . 2 . . . . A 44 LEU HD11 . 36771 1 226 . 1 . 1 25 25 LEU HD12 H 1 0.671 0.012 . 2 . . . . A 44 LEU HD12 . 36771 1 227 . 1 . 1 25 25 LEU HD13 H 1 0.671 0.012 . 2 . . . . A 44 LEU HD13 . 36771 1 228 . 1 . 1 25 25 LEU HD21 H 1 0.744 0.006 . 2 . . . . A 44 LEU HD21 . 36771 1 229 . 1 . 1 25 25 LEU HD22 H 1 0.744 0.006 . 2 . . . . A 44 LEU HD22 . 36771 1 230 . 1 . 1 25 25 LEU HD23 H 1 0.744 0.006 . 2 . . . . A 44 LEU HD23 . 36771 1 231 . 1 . 1 25 25 LEU C C 13 177.431 0.002 . 1 . . . . A 44 LEU C . 36771 1 232 . 1 . 1 25 25 LEU CA C 13 58.141 0.033 . 1 . . . . A 44 LEU CA . 36771 1 233 . 1 . 1 25 25 LEU CB C 13 40.901 0.025 . 1 . . . . A 44 LEU CB . 36771 1 234 . 1 . 1 25 25 LEU CG C 13 26.902 0.002 . 1 . . . . A 44 LEU CG . 36771 1 235 . 1 . 1 25 25 LEU CD1 C 13 23.052 0.011 . 2 . . . . A 44 LEU CD1 . 36771 1 236 . 1 . 1 25 25 LEU CD2 C 13 25.033 0.015 . 2 . . . . A 44 LEU CD2 . 36771 1 237 . 1 . 1 25 25 LEU N N 15 114.906 0.006 . 1 . . . . A 44 LEU N . 36771 1 238 . 1 . 1 26 26 ASP H H 1 8.340 0.003 . 1 . . . . A 45 ASP H . 36771 1 239 . 1 . 1 26 26 ASP HA H 1 4.358 0.008 . 1 . . . . A 45 ASP HA . 36771 1 240 . 1 . 1 26 26 ASP HB2 H 1 2.656 0.012 . 2 . . . . A 45 ASP HB2 . 36771 1 241 . 1 . 1 26 26 ASP HB3 H 1 2.807 0.010 . 2 . . . . A 45 ASP HB3 . 36771 1 242 . 1 . 1 26 26 ASP C C 13 180.955 0.002 . 1 . . . . A 45 ASP C . 36771 1 243 . 1 . 1 26 26 ASP CA C 13 57.261 0.001 . 1 . . . . A 45 ASP CA . 36771 1 244 . 1 . 1 26 26 ASP CB C 13 41.005 0.001 . 1 . . . . A 45 ASP CB . 36771 1 245 . 1 . 1 26 26 ASP N N 15 121.016 0.014 . 1 . . . . A 45 ASP N . 36771 1 246 . 1 . 1 27 27 GLN H H 1 8.552 0.008 . 1 . . . . A 46 GLN H . 36771 1 247 . 1 . 1 27 27 GLN HA H 1 4.095 0.005 . 1 . . . . A 46 GLN HA . 36771 1 248 . 1 . 1 27 27 GLN HB2 H 1 2.070 0.008 . 2 . . . . A 46 GLN HB2 . 36771 1 249 . 1 . 1 27 27 GLN HB3 H 1 1.946 0.005 . 2 . . . . A 46 GLN HB3 . 36771 1 250 . 1 . 1 27 27 GLN HG2 H 1 2.663 0.006 . 2 . . . . A 46 GLN HG2 . 36771 1 251 . 1 . 1 27 27 GLN HG3 H 1 2.149 0.011 . 2 . . . . A 46 GLN HG3 . 36771 1 252 . 1 . 1 27 27 GLN HE21 H 1 6.716 0.007 . 1 . . . . A 46 GLN HE21 . 36771 1 253 . 1 . 1 27 27 GLN HE22 H 1 6.862 0.007 . 1 . . . . A 46 GLN HE22 . 36771 1 254 . 1 . 1 27 27 GLN C C 13 178.660 0.002 . 1 . . . . A 46 GLN C . 36771 1 255 . 1 . 1 27 27 GLN CA C 13 58.037 0.042 . 1 . . . . A 46 GLN CA . 36771 1 256 . 1 . 1 27 27 GLN CB C 13 27.525 0.002 . 1 . . . . A 46 GLN CB . 36771 1 257 . 1 . 1 27 27 GLN CG C 13 33.095 0.011 . 1 . . . . A 46 GLN CG . 36771 1 258 . 1 . 1 27 27 GLN N N 15 120.699 0.013 . 1 . . . . A 46 GLN N . 36771 1 259 . 1 . 1 27 27 GLN NE2 N 15 109.931 0.011 . 1 . . . . A 46 GLN NE2 . 36771 1 260 . 1 . 1 28 28 GLY H H 1 9.275 0.010 . 1 . . . . A 47 GLY H . 36771 1 261 . 1 . 1 28 28 GLY HA2 H 1 3.114 0.007 . 2 . . . . A 47 GLY HA2 . 36771 1 262 . 1 . 1 28 28 GLY HA3 H 1 3.494 0.006 . 2 . . . . A 47 GLY HA3 . 36771 1 263 . 1 . 1 28 28 GLY C C 13 179.135 0.002 . 1 . . . . A 47 GLY C . 36771 1 264 . 1 . 1 28 28 GLY CA C 13 46.787 0.026 . 1 . . . . A 47 GLY CA . 36771 1 265 . 1 . 1 28 28 GLY N N 15 107.638 0.010 . 1 . . . . A 47 GLY N . 36771 1 266 . 1 . 1 29 29 GLY H H 1 7.619 0.003 . 1 . . . . A 48 GLY H . 36771 1 267 . 1 . 1 29 29 GLY HA2 H 1 2.305 0.012 . 2 . . . . A 48 GLY HA2 . 36771 1 268 . 1 . 1 29 29 GLY HA3 H 1 3.403 0.006 . 2 . . . . A 48 GLY HA3 . 36771 1 269 . 1 . 1 29 29 GLY C C 13 174.286 0.002 . 1 . . . . A 48 GLY C . 36771 1 270 . 1 . 1 29 29 GLY CA C 13 46.991 0.010 . 1 . . . . A 48 GLY CA . 36771 1 271 . 1 . 1 29 29 GLY N N 15 108.220 0.007 . 1 . . . . A 48 GLY N . 36771 1 272 . 1 . 1 30 30 VAL H H 1 7.712 0.003 . 1 . . . . A 49 VAL H . 36771 1 273 . 1 . 1 30 30 VAL HA H 1 3.585 0.003 . 1 . . . . A 49 VAL HA . 36771 1 274 . 1 . 1 30 30 VAL HB H 1 2.051 0.004 . 1 . . . . A 49 VAL HB . 36771 1 275 . 1 . 1 30 30 VAL HG11 H 1 0.959 0.006 . 2 . . . . A 49 VAL HG11 . 36771 1 276 . 1 . 1 30 30 VAL HG12 H 1 0.959 0.006 . 2 . . . . A 49 VAL HG12 . 36771 1 277 . 1 . 1 30 30 VAL HG13 H 1 0.959 0.006 . 2 . . . . A 49 VAL HG13 . 36771 1 278 . 1 . 1 30 30 VAL HG21 H 1 0.831 0.001 . 2 . . . . A 49 VAL HG21 . 36771 1 279 . 1 . 1 30 30 VAL HG22 H 1 0.831 0.001 . 2 . . . . A 49 VAL HG22 . 36771 1 280 . 1 . 1 30 30 VAL HG23 H 1 0.831 0.001 . 2 . . . . A 49 VAL HG23 . 36771 1 281 . 1 . 1 30 30 VAL C C 13 176.938 0.002 . 1 . . . . A 49 VAL C . 36771 1 282 . 1 . 1 30 30 VAL CA C 13 66.355 0.001 . 1 . . . . A 49 VAL CA . 36771 1 283 . 1 . 1 30 30 VAL CB C 13 31.813 0.039 . 1 . . . . A 49 VAL CB . 36771 1 284 . 1 . 1 30 30 VAL CG1 C 13 22.568 0.030 . 2 . . . . A 49 VAL CG1 . 36771 1 285 . 1 . 1 30 30 VAL CG2 C 13 20.989 0.006 . 2 . . . . A 49 VAL CG2 . 36771 1 286 . 1 . 1 30 30 VAL N N 15 125.455 0.006 . 1 . . . . A 49 VAL N . 36771 1 287 . 1 . 1 31 31 LEU H H 1 8.241 0.012 . 1 . . . . A 50 LEU H . 36771 1 288 . 1 . 1 31 31 LEU HA H 1 3.847 0.010 . 1 . . . . A 50 LEU HA . 36771 1 289 . 1 . 1 31 31 LEU HB2 H 1 0.617 0.007 . 2 . . . . A 50 LEU HB2 . 36771 1 290 . 1 . 1 31 31 LEU HB3 H 1 1.621 0.008 . 2 . . . . A 50 LEU HB3 . 36771 1 291 . 1 . 1 31 31 LEU HG H 1 0.701 0.008 . 1 . . . . A 50 LEU HG . 36771 1 292 . 1 . 1 31 31 LEU HD11 H 1 0.708 0.012 . 2 . . . . A 50 LEU HD11 . 36771 1 293 . 1 . 1 31 31 LEU HD12 H 1 0.708 0.012 . 2 . . . . A 50 LEU HD12 . 36771 1 294 . 1 . 1 31 31 LEU HD13 H 1 0.708 0.012 . 2 . . . . A 50 LEU HD13 . 36771 1 295 . 1 . 1 31 31 LEU HD21 H 1 0.707 0.010 . 2 . . . . A 50 LEU HD21 . 36771 1 296 . 1 . 1 31 31 LEU HD22 H 1 0.707 0.010 . 2 . . . . A 50 LEU HD22 . 36771 1 297 . 1 . 1 31 31 LEU HD23 H 1 0.707 0.010 . 2 . . . . A 50 LEU HD23 . 36771 1 298 . 1 . 1 31 31 LEU C C 13 179.252 0.002 . 1 . . . . A 50 LEU C . 36771 1 299 . 1 . 1 31 31 LEU CA C 13 57.139 0.016 . 1 . . . . A 50 LEU CA . 36771 1 300 . 1 . 1 31 31 LEU CB C 13 43.139 0.013 . 1 . . . . A 50 LEU CB . 36771 1 301 . 1 . 1 31 31 LEU CG C 13 27.429 0.040 . 1 . . . . A 50 LEU CG . 36771 1 302 . 1 . 1 31 31 LEU CD1 C 13 22.908 0.010 . 2 . . . . A 50 LEU CD1 . 36771 1 303 . 1 . 1 31 31 LEU CD2 C 13 22.908 0.010 . 2 . . . . A 50 LEU CD2 . 36771 1 304 . 1 . 1 31 31 LEU N N 15 120.708 0.014 . 1 . . . . A 50 LEU N . 36771 1 305 . 1 . 1 32 32 TYR H H 1 8.252 0.011 . 1 . . . . A 51 TYR H . 36771 1 306 . 1 . 1 32 32 TYR HA H 1 3.135 0.007 . 1 . . . . A 51 TYR HA . 36771 1 307 . 1 . 1 32 32 TYR HB2 H 1 2.360 0.011 . 2 . . . . A 51 TYR HB2 . 36771 1 308 . 1 . 1 32 32 TYR HB3 H 1 2.097 0.009 . 2 . . . . A 51 TYR HB3 . 36771 1 309 . 1 . 1 32 32 TYR C C 13 178.681 0.002 . 1 . . . . A 51 TYR C . 36771 1 310 . 1 . 1 32 32 TYR CA C 13 61.757 0.029 . 1 . . . . A 51 TYR CA . 36771 1 311 . 1 . 1 32 32 TYR CB C 13 39.075 0.036 . 1 . . . . A 51 TYR CB . 36771 1 312 . 1 . 1 32 32 TYR N N 15 120.892 0.135 . 1 . . . . A 51 TYR N . 36771 1 313 . 1 . 1 33 33 ALA H H 1 7.731 0.008 . 1 . . . . A 52 ALA H . 36771 1 314 . 1 . 1 33 33 ALA HA H 1 3.970 0.005 . 1 . . . . A 52 ALA HA . 36771 1 315 . 1 . 1 33 33 ALA HB1 H 1 1.495 0.008 . 1 . . . . A 52 ALA HB1 . 36771 1 316 . 1 . 1 33 33 ALA HB2 H 1 1.495 0.008 . 1 . . . . A 52 ALA HB2 . 36771 1 317 . 1 . 1 33 33 ALA HB3 H 1 1.495 0.008 . 1 . . . . A 52 ALA HB3 . 36771 1 318 . 1 . 1 33 33 ALA C C 13 178.466 0.002 . 1 . . . . A 52 ALA C . 36771 1 319 . 1 . 1 33 33 ALA CA C 13 54.461 0.019 . 1 . . . . A 52 ALA CA . 36771 1 320 . 1 . 1 33 33 ALA CB C 13 17.976 0.041 . 1 . . . . A 52 ALA CB . 36771 1 321 . 1 . 1 33 33 ALA N N 15 122.876 0.014 . 1 . . . . A 52 ALA N . 36771 1 322 . 1 . 1 34 34 GLU H H 1 7.401 0.005 . 1 . . . . A 53 GLU H . 36771 1 323 . 1 . 1 34 34 GLU HA H 1 3.887 0.004 . 1 . . . . A 53 GLU HA . 36771 1 324 . 1 . 1 34 34 GLU HB2 H 1 1.278 0.004 . 2 . . . . A 53 GLU HB2 . 36771 1 325 . 1 . 1 34 34 GLU HB3 H 1 1.710 0.005 . 2 . . . . A 53 GLU HB3 . 36771 1 326 . 1 . 1 34 34 GLU HG2 H 1 1.417 0.006 . 2 . . . . A 53 GLU HG2 . 36771 1 327 . 1 . 1 34 34 GLU HG3 H 1 1.673 0.002 . 2 . . . . A 53 GLU HG3 . 36771 1 328 . 1 . 1 34 34 GLU C C 13 178.261 0.002 . 1 . . . . A 53 GLU C . 36771 1 329 . 1 . 1 34 34 GLU CA C 13 58.484 0.029 . 1 . . . . A 53 GLU CA . 36771 1 330 . 1 . 1 34 34 GLU CB C 13 30.415 0.027 . 1 . . . . A 53 GLU CB . 36771 1 331 . 1 . 1 34 34 GLU CG C 13 35.086 0.011 . 1 . . . . A 53 GLU CG . 36771 1 332 . 1 . 1 34 34 GLU N N 15 116.663 0.002 . 1 . . . . A 53 GLU N . 36771 1 333 . 1 . 1 35 35 HIS H H 1 7.834 0.013 . 1 . . . . A 54 HIS H . 36771 1 334 . 1 . 1 35 35 HIS HA H 1 4.649 0.007 . 1 . . . . A 54 HIS HA . 36771 1 335 . 1 . 1 35 35 HIS HB2 H 1 2.385 0.009 . 2 . . . . A 54 HIS HB2 . 36771 1 336 . 1 . 1 35 35 HIS HB3 H 1 2.178 0.002 . 2 . . . . A 54 HIS HB3 . 36771 1 337 . 1 . 1 35 35 HIS C C 13 178.443 0.002 . 1 . . . . A 54 HIS C . 36771 1 338 . 1 . 1 35 35 HIS CA C 13 57.854 0.001 . 1 . . . . A 54 HIS CA . 36771 1 339 . 1 . 1 35 35 HIS CB C 13 34.368 0.033 . 1 . . . . A 54 HIS CB . 36771 1 340 . 1 . 1 35 35 HIS N N 15 111.495 0.005 . 1 . . . . A 54 HIS N . 36771 1 341 . 1 . 1 36 36 CYS H H 1 7.511 0.007 . 1 . . . . A 55 CYS H . 36771 1 342 . 1 . 1 36 36 CYS HA H 1 3.760 0.008 . 1 . . . . A 55 CYS HA . 36771 1 343 . 1 . 1 36 36 CYS HB2 H 1 0.343 0.017 . 2 . . . . A 55 CYS HB2 . 36771 1 344 . 1 . 1 36 36 CYS HB3 H 1 0.982 0.011 . 2 . . . . A 55 CYS HB3 . 36771 1 345 . 1 . 1 36 36 CYS C C 13 177.282 0.002 . 1 . . . . A 55 CYS C . 36771 1 346 . 1 . 1 36 36 CYS CA C 13 54.433 0.004 . 1 . . . . A 55 CYS CA . 36771 1 347 . 1 . 1 36 36 CYS CB C 13 36.146 0.018 . 1 . . . . A 55 CYS CB . 36771 1 348 . 1 . 1 36 36 CYS N N 15 115.464 0.009 . 1 . . . . A 55 CYS N . 36771 1 349 . 1 . 1 37 37 VAL H H 1 7.477 0.005 . 1 . . . . A 56 VAL H . 36771 1 350 . 1 . 1 37 37 VAL HA H 1 3.949 0.010 . 1 . . . . A 56 VAL HA . 36771 1 351 . 1 . 1 37 37 VAL HB H 1 2.095 0.007 . 1 . . . . A 56 VAL HB . 36771 1 352 . 1 . 1 37 37 VAL HG11 H 1 1.179 0.006 . 2 . . . . A 56 VAL HG11 . 36771 1 353 . 1 . 1 37 37 VAL HG12 H 1 1.179 0.006 . 2 . . . . A 56 VAL HG12 . 36771 1 354 . 1 . 1 37 37 VAL HG13 H 1 1.179 0.006 . 2 . . . . A 56 VAL HG13 . 36771 1 355 . 1 . 1 37 37 VAL HG21 H 1 1.359 0.007 . 2 . . . . A 56 VAL HG21 . 36771 1 356 . 1 . 1 37 37 VAL HG22 H 1 1.359 0.007 . 2 . . . . A 56 VAL HG22 . 36771 1 357 . 1 . 1 37 37 VAL HG23 H 1 1.359 0.007 . 2 . . . . A 56 VAL HG23 . 36771 1 358 . 1 . 1 37 37 VAL C C 13 178.025 0.002 . 1 . . . . A 56 VAL C . 36771 1 359 . 1 . 1 37 37 VAL CA C 13 65.675 0.030 . 1 . . . . A 56 VAL CA . 36771 1 360 . 1 . 1 37 37 VAL CB C 13 32.152 0.015 . 1 . . . . A 56 VAL CB . 36771 1 361 . 1 . 1 37 37 VAL CG1 C 13 20.459 0.024 . 2 . . . . A 56 VAL CG1 . 36771 1 362 . 1 . 1 37 37 VAL CG2 C 13 23.089 0.034 . 2 . . . . A 56 VAL CG2 . 36771 1 363 . 1 . 1 37 37 VAL N N 15 124.271 0.008 . 1 . . . . A 56 VAL N . 36771 1 364 . 1 . 1 38 38 ARG H H 1 8.549 0.006 . 1 . . . . A 57 ARG H . 36771 1 365 . 1 . 1 38 38 ARG HA H 1 4.450 0.010 . 1 . . . . A 57 ARG HA . 36771 1 366 . 1 . 1 38 38 ARG HB2 H 1 1.819 0.015 . 2 . . . . A 57 ARG HB2 . 36771 1 367 . 1 . 1 38 38 ARG HB3 H 1 1.454 0.003 . 2 . . . . A 57 ARG HB3 . 36771 1 368 . 1 . 1 38 38 ARG HD2 H 1 3.415 0.004 . 2 . . . . A 57 ARG HD2 . 36771 1 369 . 1 . 1 38 38 ARG HD3 H 1 3.211 0.003 . 2 . . . . A 57 ARG HD3 . 36771 1 370 . 1 . 1 38 38 ARG C C 13 176.681 0.002 . 1 . . . . A 57 ARG C . 36771 1 371 . 1 . 1 38 38 ARG CA C 13 58.493 0.001 . 1 . . . . A 57 ARG CA . 36771 1 372 . 1 . 1 38 38 ARG CB C 13 27.873 0.024 . 1 . . . . A 57 ARG CB . 36771 1 373 . 1 . 1 38 38 ARG CD C 13 43.022 0.013 . 1 . . . . A 57 ARG CD . 36771 1 374 . 1 . 1 38 38 ARG N N 15 118.543 0.019 . 1 . . . . A 57 ARG N . 36771 1 375 . 1 . 1 39 39 CYS H H 1 7.513 0.005 . 1 . . . . A 58 CYS H . 36771 1 376 . 1 . 1 39 39 CYS HA H 1 5.796 0.009 . 1 . . . . A 58 CYS HA . 36771 1 377 . 1 . 1 39 39 CYS HB2 H 1 2.798 0.008 . 2 . . . . A 58 CYS HB2 . 36771 1 378 . 1 . 1 39 39 CYS HB3 H 1 2.798 0.008 . 2 . . . . A 58 CYS HB3 . 36771 1 379 . 1 . 1 39 39 CYS C C 13 175.601 0.002 . 1 . . . . A 58 CYS C . 36771 1 380 . 1 . 1 39 39 CYS CA C 13 56.025 0.016 . 1 . . . . A 58 CYS CA . 36771 1 381 . 1 . 1 39 39 CYS CB C 13 43.594 0.001 . 1 . . . . A 58 CYS CB . 36771 1 382 . 1 . 1 39 39 CYS N N 15 113.860 0.007 . 1 . . . . A 58 CYS N . 36771 1 383 . 1 . 1 40 40 HIS H H 1 10.367 0.007 . 1 . . . . A 59 HIS H . 36771 1 384 . 1 . 1 40 40 HIS HA H 1 4.877 0.001 . 1 . . . . A 59 HIS HA . 36771 1 385 . 1 . 1 40 40 HIS HB2 H 1 3.007 0.005 . 2 . . . . A 59 HIS HB2 . 36771 1 386 . 1 . 1 40 40 HIS HB3 H 1 3.072 0.001 . 2 . . . . A 59 HIS HB3 . 36771 1 387 . 1 . 1 40 40 HIS C C 13 175.993 0.002 . 1 . . . . A 59 HIS C . 36771 1 388 . 1 . 1 40 40 HIS CA C 13 54.145 0.002 . 1 . . . . A 59 HIS CA . 36771 1 389 . 1 . 1 40 40 HIS CB C 13 29.917 0.002 . 1 . . . . A 59 HIS CB . 36771 1 390 . 1 . 1 40 40 HIS N N 15 115.244 0.003 . 1 . . . . A 59 HIS N . 36771 1 391 . 1 . 1 41 41 GLY H H 1 9.711 0.008 . 1 . . . . A 60 GLY H . 36771 1 392 . 1 . 1 41 41 GLY HA2 H 1 5.606 0.005 . 2 . . . . A 60 GLY HA2 . 36771 1 393 . 1 . 1 41 41 GLY HA3 H 1 4.641 0.011 . 2 . . . . A 60 GLY HA3 . 36771 1 394 . 1 . 1 41 41 GLY C C 13 178.518 0.002 . 1 . . . . A 60 GLY C . 36771 1 395 . 1 . 1 41 41 GLY CA C 13 45.780 0.007 . 1 . . . . A 60 GLY CA . 36771 1 396 . 1 . 1 41 41 GLY N N 15 109.074 0.008 . 1 . . . . A 60 GLY N . 36771 1 397 . 1 . 1 42 42 GLU H H 1 10.075 0.006 . 1 . . . . A 61 GLU H . 36771 1 398 . 1 . 1 42 42 GLU HA H 1 4.504 0.010 . 1 . . . . A 61 GLU HA . 36771 1 399 . 1 . 1 42 42 GLU HB2 H 1 2.438 0.004 . 2 . . . . A 61 GLU HB2 . 36771 1 400 . 1 . 1 42 42 GLU HB3 H 1 2.436 0.005 . 2 . . . . A 61 GLU HB3 . 36771 1 401 . 1 . 1 42 42 GLU HG2 H 1 2.664 0.001 . 2 . . . . A 61 GLU HG2 . 36771 1 402 . 1 . 1 42 42 GLU HG3 H 1 2.587 0.005 . 2 . . . . A 61 GLU HG3 . 36771 1 403 . 1 . 1 42 42 GLU C C 13 177.525 0.002 . 1 . . . . A 61 GLU C . 36771 1 404 . 1 . 1 42 42 GLU CA C 13 60.573 0.001 . 1 . . . . A 61 GLU CA . 36771 1 405 . 1 . 1 42 42 GLU CB C 13 30.506 0.030 . 1 . . . . A 61 GLU CB . 36771 1 406 . 1 . 1 42 42 GLU CG C 13 36.893 0.011 . 1 . . . . A 61 GLU CG . 36771 1 407 . 1 . 1 42 42 GLU N N 15 125.727 0.001 . 1 . . . . A 61 GLU N . 36771 1 408 . 1 . 1 43 43 THR H H 1 9.134 0.005 . 1 . . . . A 62 THR H . 36771 1 409 . 1 . 1 43 43 THR HA H 1 4.706 0.014 . 1 . . . . A 62 THR HA . 36771 1 410 . 1 . 1 43 43 THR HB H 1 4.940 0.017 . 1 . . . . A 62 THR HB . 36771 1 411 . 1 . 1 43 43 THR HG21 H 1 1.492 0.004 . 1 . . . . A 62 THR HG21 . 36771 1 412 . 1 . 1 43 43 THR HG22 H 1 1.492 0.004 . 1 . . . . A 62 THR HG22 . 36771 1 413 . 1 . 1 43 43 THR HG23 H 1 1.492 0.004 . 1 . . . . A 62 THR HG23 . 36771 1 414 . 1 . 1 43 43 THR C C 13 177.811 0.002 . 1 . . . . A 62 THR C . 36771 1 415 . 1 . 1 43 43 THR CA C 13 61.312 0.001 . 1 . . . . A 62 THR CA . 36771 1 416 . 1 . 1 43 43 THR CB C 13 69.359 0.001 . 1 . . . . A 62 THR CB . 36771 1 417 . 1 . 1 43 43 THR CG2 C 13 22.332 0.013 . 1 . . . . A 62 THR CG2 . 36771 1 418 . 1 . 1 43 43 THR N N 15 106.728 0.009 . 1 . . . . A 62 THR N . 36771 1 419 . 1 . 1 44 44 LEU H H 1 8.163 0.005 . 1 . . . . A 63 LEU H . 36771 1 420 . 1 . 1 44 44 LEU HA H 1 5.457 0.007 . 1 . . . . A 63 LEU HA . 36771 1 421 . 1 . 1 44 44 LEU HB2 H 1 2.724 0.012 . 2 . . . . A 63 LEU HB2 . 36771 1 422 . 1 . 1 44 44 LEU HB3 H 1 3.254 0.011 . 2 . . . . A 63 LEU HB3 . 36771 1 423 . 1 . 1 44 44 LEU HG H 1 2.465 0.006 . 1 . . . . A 63 LEU HG . 36771 1 424 . 1 . 1 44 44 LEU HD11 H 1 0.826 0.010 . 2 . . . . A 63 LEU HD11 . 36771 1 425 . 1 . 1 44 44 LEU HD12 H 1 0.826 0.010 . 2 . . . . A 63 LEU HD12 . 36771 1 426 . 1 . 1 44 44 LEU HD13 H 1 0.826 0.010 . 2 . . . . A 63 LEU HD13 . 36771 1 427 . 1 . 1 44 44 LEU HD21 H 1 0.813 0.009 . 2 . . . . A 63 LEU HD21 . 36771 1 428 . 1 . 1 44 44 LEU HD22 H 1 0.813 0.009 . 2 . . . . A 63 LEU HD22 . 36771 1 429 . 1 . 1 44 44 LEU HD23 H 1 0.813 0.009 . 2 . . . . A 63 LEU HD23 . 36771 1 430 . 1 . 1 44 44 LEU C C 13 174.712 0.002 . 1 . . . . A 63 LEU C . 36771 1 431 . 1 . 1 44 44 LEU CA C 13 61.669 0.027 . 1 . . . . A 63 LEU CA . 36771 1 432 . 1 . 1 44 44 LEU CB C 13 38.025 0.013 . 1 . . . . A 63 LEU CB . 36771 1 433 . 1 . 1 44 44 LEU CG C 13 31.346 0.008 . 1 . . . . A 63 LEU CG . 36771 1 434 . 1 . 1 44 44 LEU CD1 C 13 24.480 0.024 . 2 . . . . A 63 LEU CD1 . 36771 1 435 . 1 . 1 44 44 LEU CD2 C 13 27.338 0.029 . 2 . . . . A 63 LEU CD2 . 36771 1 436 . 1 . 1 44 44 LEU N N 15 114.692 0.014 . 1 . . . . A 63 LEU N . 36771 1 437 . 1 . 1 45 45 ARG H H 1 9.277 0.005 . 1 . . . . A 64 ARG H . 36771 1 438 . 1 . 1 45 45 ARG HA H 1 5.515 0.014 . 1 . . . . A 64 ARG HA . 36771 1 439 . 1 . 1 45 45 ARG HB2 H 1 2.610 0.015 . 2 . . . . A 64 ARG HB2 . 36771 1 440 . 1 . 1 45 45 ARG HB3 H 1 2.242 0.004 . 2 . . . . A 64 ARG HB3 . 36771 1 441 . 1 . 1 45 45 ARG HG2 H 1 2.142 0.037 . 2 . . . . A 64 ARG HG2 . 36771 1 442 . 1 . 1 45 45 ARG HG3 H 1 2.212 0.011 . 2 . . . . A 64 ARG HG3 . 36771 1 443 . 1 . 1 45 45 ARG HD2 H 1 3.741 0.004 . 2 . . . . A 64 ARG HD2 . 36771 1 444 . 1 . 1 45 45 ARG HD3 H 1 3.479 0.013 . 2 . . . . A 64 ARG HD3 . 36771 1 445 . 1 . 1 45 45 ARG C C 13 178.309 0.002 . 1 . . . . A 64 ARG C . 36771 1 446 . 1 . 1 45 45 ARG CA C 13 57.182 0.028 . 1 . . . . A 64 ARG CA . 36771 1 447 . 1 . 1 45 45 ARG CB C 13 30.132 0.062 . 1 . . . . A 64 ARG CB . 36771 1 448 . 1 . 1 45 45 ARG CG C 13 26.763 0.037 . 1 . . . . A 64 ARG CG . 36771 1 449 . 1 . 1 45 45 ARG CD C 13 43.260 0.039 . 1 . . . . A 64 ARG CD . 36771 1 450 . 1 . 1 45 45 ARG N N 15 116.867 0.007 . 1 . . . . A 64 ARG N . 36771 1 451 . 1 . 1 46 46 GLY H H 1 10.534 0.020 . 1 . . . . A 65 GLY H . 36771 1 452 . 1 . 1 46 46 GLY HA2 H 1 4.988 0.002 . 2 . . . . A 65 GLY HA2 . 36771 1 453 . 1 . 1 46 46 GLY HA3 H 1 5.106 0.001 . 2 . . . . A 65 GLY HA3 . 36771 1 454 . 1 . 1 46 46 GLY C C 13 178.098 0.002 . 1 . . . . A 65 GLY C . 36771 1 455 . 1 . 1 46 46 GLY CA C 13 47.592 0.010 . 1 . . . . A 65 GLY CA . 36771 1 456 . 1 . 1 46 46 GLY N N 15 108.487 0.005 . 1 . . . . A 65 GLY N . 36771 1 457 . 1 . 1 47 47 ASP H H 1 8.676 0.003 . 1 . . . . A 66 ASP H . 36771 1 458 . 1 . 1 47 47 ASP HA H 1 4.968 0.013 . 1 . . . . A 66 ASP HA . 36771 1 459 . 1 . 1 47 47 ASP HB2 H 1 3.258 0.012 . 2 . . . . A 66 ASP HB2 . 36771 1 460 . 1 . 1 47 47 ASP HB3 H 1 2.617 0.013 . 2 . . . . A 66 ASP HB3 . 36771 1 461 . 1 . 1 47 47 ASP C C 13 173.661 0.002 . 1 . . . . A 66 ASP C . 36771 1 462 . 1 . 1 47 47 ASP CA C 13 52.548 0.001 . 1 . . . . A 66 ASP CA . 36771 1 463 . 1 . 1 47 47 ASP CB C 13 40.211 0.015 . 1 . . . . A 66 ASP CB . 36771 1 464 . 1 . 1 47 47 ASP N N 15 117.617 0.008 . 1 . . . . A 66 ASP N . 36771 1 465 . 1 . 1 48 48 GLY H H 1 7.744 0.005 . 1 . . . . A 67 GLY H . 36771 1 466 . 1 . 1 48 48 GLY HA2 H 1 4.658 0.010 . 2 . . . . A 67 GLY HA2 . 36771 1 467 . 1 . 1 48 48 GLY HA3 H 1 3.874 0.012 . 2 . . . . A 67 GLY HA3 . 36771 1 468 . 1 . 1 48 48 GLY C C 13 177.552 0.002 . 1 . . . . A 67 GLY C . 36771 1 469 . 1 . 1 48 48 GLY CA C 13 44.984 0.018 . 1 . . . . A 67 GLY CA . 36771 1 470 . 1 . 1 48 48 GLY N N 15 104.704 0.016 . 1 . . . . A 67 GLY N . 36771 1 471 . 1 . 1 49 49 PRO HA H 1 4.468 0.014 . 1 . . . . A 68 PRO HA . 36771 1 472 . 1 . 1 49 49 PRO HB2 H 1 2.467 0.012 . 2 . . . . A 68 PRO HB2 . 36771 1 473 . 1 . 1 49 49 PRO HB3 H 1 2.229 0.004 . 2 . . . . A 68 PRO HB3 . 36771 1 474 . 1 . 1 49 49 PRO HG2 H 1 2.243 0.007 . 2 . . . . A 68 PRO HG2 . 36771 1 475 . 1 . 1 49 49 PRO HG3 H 1 2.243 0.007 . 2 . . . . A 68 PRO HG3 . 36771 1 476 . 1 . 1 49 49 PRO CA C 13 65.095 0.004 . 1 . . . . A 68 PRO CA . 36771 1 477 . 1 . 1 49 49 PRO CB C 13 31.848 0.002 . 1 . . . . A 68 PRO CB . 36771 1 478 . 1 . 1 49 49 PRO CG C 13 27.719 0.025 . 1 . . . . A 68 PRO CG . 36771 1 479 . 1 . 1 49 49 PRO CD C 13 50.323 0.002 . 1 . . . . A 68 PRO CD . 36771 1 480 . 1 . 1 50 50 ASP H H 1 8.631 0.003 . 1 . . . . A 69 ASP H . 36771 1 481 . 1 . 1 50 50 ASP HA H 1 4.741 0.008 . 1 . . . . A 69 ASP HA . 36771 1 482 . 1 . 1 50 50 ASP HB2 H 1 2.261 0.002 . 2 . . . . A 69 ASP HB2 . 36771 1 483 . 1 . 1 50 50 ASP HB3 H 1 2.690 0.005 . 2 . . . . A 69 ASP HB3 . 36771 1 484 . 1 . 1 50 50 ASP C C 13 177.868 0.002 . 1 . . . . A 69 ASP C . 36771 1 485 . 1 . 1 50 50 ASP CA C 13 54.239 0.002 . 1 . . . . A 69 ASP CA . 36771 1 486 . 1 . 1 50 50 ASP CB C 13 41.126 0.060 . 1 . . . . A 69 ASP CB . 36771 1 487 . 1 . 1 50 50 ASP N N 15 116.095 0.016 . 1 . . . . A 69 ASP N . 36771 1 488 . 1 . 1 51 51 ALA H H 1 7.710 0.008 . 1 . . . . A 70 ALA H . 36771 1 489 . 1 . 1 51 51 ALA HA H 1 3.368 0.007 . 1 . . . . A 70 ALA HA . 36771 1 490 . 1 . 1 51 51 ALA HB1 H 1 1.337 0.012 . 1 . . . . A 70 ALA HB1 . 36771 1 491 . 1 . 1 51 51 ALA HB2 H 1 1.337 0.012 . 1 . . . . A 70 ALA HB2 . 36771 1 492 . 1 . 1 51 51 ALA HB3 H 1 1.337 0.012 . 1 . . . . A 70 ALA HB3 . 36771 1 493 . 1 . 1 51 51 ALA C C 13 175.750 0.002 . 1 . . . . A 70 ALA C . 36771 1 494 . 1 . 1 51 51 ALA CA C 13 53.138 0.039 . 1 . . . . A 70 ALA CA . 36771 1 495 . 1 . 1 51 51 ALA CB C 13 19.546 0.015 . 1 . . . . A 70 ALA CB . 36771 1 496 . 1 . 1 51 51 ALA N N 15 120.614 0.018 . 1 . . . . A 70 ALA N . 36771 1 497 . 1 . 1 52 52 HIS H H 1 7.178 0.005 . 1 . . . . A 71 HIS H . 36771 1 498 . 1 . 1 52 52 HIS HA H 1 4.097 0.001 . 1 . . . . A 71 HIS HA . 36771 1 499 . 1 . 1 52 52 HIS HB2 H 1 3.063 0.006 . 2 . . . . A 71 HIS HB2 . 36771 1 500 . 1 . 1 52 52 HIS HB3 H 1 3.011 0.003 . 2 . . . . A 71 HIS HB3 . 36771 1 501 . 1 . 1 52 52 HIS C C 13 178.223 0.002 . 1 . . . . A 71 HIS C . 36771 1 502 . 1 . 1 52 52 HIS CA C 13 57.496 0.001 . 1 . . . . A 71 HIS CA . 36771 1 503 . 1 . 1 52 52 HIS CB C 13 29.519 0.001 . 1 . . . . A 71 HIS CB . 36771 1 504 . 1 . 1 52 52 HIS N N 15 114.885 0.001 . 1 . . . . A 71 HIS N . 36771 1 505 . 1 . 1 53 53 ASP H H 1 8.320 0.006 . 1 . . . . A 72 ASP H . 36771 1 506 . 1 . 1 53 53 ASP HA H 1 4.089 0.006 . 1 . . . . A 72 ASP HA . 36771 1 507 . 1 . 1 53 53 ASP HB2 H 1 2.550 0.010 . 2 . . . . A 72 ASP HB2 . 36771 1 508 . 1 . 1 53 53 ASP HB3 H 1 2.448 0.006 . 2 . . . . A 72 ASP HB3 . 36771 1 509 . 1 . 1 53 53 ASP C C 13 174.194 0.002 . 1 . . . . A 72 ASP C . 36771 1 510 . 1 . 1 53 53 ASP CA C 13 55.070 0.010 . 1 . . . . A 72 ASP CA . 36771 1 511 . 1 . 1 53 53 ASP CB C 13 39.941 0.001 . 1 . . . . A 72 ASP CB . 36771 1 512 . 1 . 1 53 53 ASP N N 15 116.064 0.007 . 1 . . . . A 72 ASP N . 36771 1 513 . 1 . 1 54 54 LEU H H 1 6.728 0.005 . 1 . . . . A 73 LEU H . 36771 1 514 . 1 . 1 54 54 LEU HA H 1 3.694 0.006 . 1 . . . . A 73 LEU HA . 36771 1 515 . 1 . 1 54 54 LEU HB2 H 1 -0.055 0.003 . 2 . . . . A 73 LEU HB2 . 36771 1 516 . 1 . 1 54 54 LEU HB3 H 1 0.499 0.006 . 2 . . . . A 73 LEU HB3 . 36771 1 517 . 1 . 1 54 54 LEU HG H 1 0.880 0.006 . 1 . . . . A 73 LEU HG . 36771 1 518 . 1 . 1 54 54 LEU HD11 H 1 -0.591 0.010 . 2 . . . . A 73 LEU HD11 . 36771 1 519 . 1 . 1 54 54 LEU HD12 H 1 -0.591 0.010 . 2 . . . . A 73 LEU HD12 . 36771 1 520 . 1 . 1 54 54 LEU HD13 H 1 -0.591 0.010 . 2 . . . . A 73 LEU HD13 . 36771 1 521 . 1 . 1 54 54 LEU HD21 H 1 0.024 0.005 . 2 . . . . A 73 LEU HD21 . 36771 1 522 . 1 . 1 54 54 LEU HD22 H 1 0.024 0.005 . 2 . . . . A 73 LEU HD22 . 36771 1 523 . 1 . 1 54 54 LEU HD23 H 1 0.024 0.005 . 2 . . . . A 73 LEU HD23 . 36771 1 524 . 1 . 1 54 54 LEU C C 13 174.732 0.002 . 1 . . . . A 73 LEU C . 36771 1 525 . 1 . 1 54 54 LEU CA C 13 54.622 0.020 . 1 . . . . A 73 LEU CA . 36771 1 526 . 1 . 1 54 54 LEU CB C 13 41.354 0.014 . 1 . . . . A 73 LEU CB . 36771 1 527 . 1 . 1 54 54 LEU CG C 13 25.890 0.001 . 1 . . . . A 73 LEU CG . 36771 1 528 . 1 . 1 54 54 LEU CD1 C 13 24.587 0.001 . 2 . . . . A 73 LEU CD1 . 36771 1 529 . 1 . 1 54 54 LEU CD2 C 13 22.065 0.020 . 2 . . . . A 73 LEU CD2 . 36771 1 530 . 1 . 1 54 54 LEU N N 15 118.885 0.014 . 1 . . . . A 73 LEU N . 36771 1 531 . 1 . 1 55 55 ASP H H 1 7.276 0.007 . 1 . . . . A 74 ASP H . 36771 1 532 . 1 . 1 55 55 ASP HA H 1 3.944 0.006 . 1 . . . . A 74 ASP HA . 36771 1 533 . 1 . 1 55 55 ASP HB2 H 1 1.979 0.004 . 2 . . . . A 74 ASP HB2 . 36771 1 534 . 1 . 1 55 55 ASP HB3 H 1 2.237 0.002 . 2 . . . . A 74 ASP HB3 . 36771 1 535 . 1 . 1 55 55 ASP C C 13 174.750 0.002 . 1 . . . . A 74 ASP C . 36771 1 536 . 1 . 1 55 55 ASP CA C 13 50.790 0.017 . 1 . . . . A 74 ASP CA . 36771 1 537 . 1 . 1 55 55 ASP CB C 13 43.970 0.020 . 1 . . . . A 74 ASP CB . 36771 1 538 . 1 . 1 55 55 ASP N N 15 120.928 0.006 . 1 . . . . A 74 ASP N . 36771 1 539 . 1 . 1 56 56 PRO HA H 1 4.406 0.002 . 1 . . . . A 75 PRO HA . 36771 1 540 . 1 . 1 56 56 PRO HB2 H 1 0.962 0.004 . 2 . . . . A 75 PRO HB2 . 36771 1 541 . 1 . 1 56 56 PRO HB3 H 1 1.825 0.001 . 2 . . . . A 75 PRO HB3 . 36771 1 542 . 1 . 1 56 56 PRO CA C 13 62.086 0.002 . 1 . . . . A 75 PRO CA . 36771 1 543 . 1 . 1 56 56 PRO CB C 13 32.602 0.001 . 1 . . . . A 75 PRO CB . 36771 1 544 . 1 . 1 57 57 PRO HA H 1 3.366 0.003 . 1 . . . . A 76 PRO HA . 36771 1 545 . 1 . 1 57 57 PRO HB2 H 1 1.265 0.010 . 2 . . . . A 76 PRO HB2 . 36771 1 546 . 1 . 1 57 57 PRO HB3 H 1 1.798 0.007 . 2 . . . . A 76 PRO HB3 . 36771 1 547 . 1 . 1 57 57 PRO HG2 H 1 1.640 0.012 . 2 . . . . A 76 PRO HG2 . 36771 1 548 . 1 . 1 57 57 PRO HG3 H 1 1.498 0.003 . 2 . . . . A 76 PRO HG3 . 36771 1 549 . 1 . 1 57 57 PRO HD2 H 1 3.018 0.006 . 2 . . . . A 76 PRO HD2 . 36771 1 550 . 1 . 1 57 57 PRO HD3 H 1 3.293 0.010 . 2 . . . . A 76 PRO HD3 . 36771 1 551 . 1 . 1 57 57 PRO CA C 13 60.598 0.006 . 1 . . . . A 76 PRO CA . 36771 1 552 . 1 . 1 57 57 PRO CB C 13 31.858 0.057 . 1 . . . . A 76 PRO CB . 36771 1 553 . 1 . 1 57 57 PRO CG C 13 27.091 0.013 . 1 . . . . A 76 PRO CG . 36771 1 554 . 1 . 1 57 57 PRO CD C 13 49.354 0.017 . 1 . . . . A 76 PRO CD . 36771 1 555 . 1 . 1 58 58 VAL H H 1 7.450 0.005 . 1 . . . . A 77 VAL H . 36771 1 556 . 1 . 1 58 58 VAL HA H 1 3.945 0.007 . 1 . . . . A 77 VAL HA . 36771 1 557 . 1 . 1 58 58 VAL HB H 1 1.430 0.001 . 1 . . . . A 77 VAL HB . 36771 1 558 . 1 . 1 58 58 VAL HG11 H 1 -1.546 0.007 . 2 . . . . A 77 VAL HG11 . 36771 1 559 . 1 . 1 58 58 VAL HG12 H 1 -1.546 0.007 . 2 . . . . A 77 VAL HG12 . 36771 1 560 . 1 . 1 58 58 VAL HG13 H 1 -1.546 0.007 . 2 . . . . A 77 VAL HG13 . 36771 1 561 . 1 . 1 58 58 VAL HG21 H 1 0.486 0.012 . 2 . . . . A 77 VAL HG21 . 36771 1 562 . 1 . 1 58 58 VAL HG22 H 1 0.486 0.012 . 2 . . . . A 77 VAL HG22 . 36771 1 563 . 1 . 1 58 58 VAL HG23 H 1 0.486 0.012 . 2 . . . . A 77 VAL HG23 . 36771 1 564 . 1 . 1 58 58 VAL C C 13 175.915 0.002 . 1 . . . . A 77 VAL C . 36771 1 565 . 1 . 1 58 58 VAL CA C 13 64.000 0.023 . 1 . . . . A 77 VAL CA . 36771 1 566 . 1 . 1 58 58 VAL CB C 13 29.409 0.001 . 1 . . . . A 77 VAL CB . 36771 1 567 . 1 . 1 58 58 VAL CG1 C 13 22.824 0.031 . 2 . . . . A 77 VAL CG1 . 36771 1 568 . 1 . 1 58 58 VAL CG2 C 13 21.381 0.001 . 2 . . . . A 77 VAL CG2 . 36771 1 569 . 1 . 1 58 58 VAL N N 15 118.024 0.019 . 1 . . . . A 77 VAL N . 36771 1 570 . 1 . 1 59 59 ALA HA H 1 4.319 0.006 . 1 . . . . A 78 ALA HA . 36771 1 571 . 1 . 1 59 59 ALA HB1 H 1 1.633 0.001 . 1 . . . . A 78 ALA HB1 . 36771 1 572 . 1 . 1 59 59 ALA HB2 H 1 1.633 0.001 . 1 . . . . A 78 ALA HB2 . 36771 1 573 . 1 . 1 59 59 ALA HB3 H 1 1.633 0.001 . 1 . . . . A 78 ALA HB3 . 36771 1 574 . 1 . 1 59 59 ALA CA C 13 53.038 0.002 . 1 . . . . A 78 ALA CA . 36771 1 575 . 1 . 1 59 59 ALA CB C 13 21.769 0.011 . 1 . . . . A 78 ALA CB . 36771 1 576 . 1 . 1 60 60 ASP H H 1 9.363 0.002 . 1 . . . . A 79 ASP H . 36771 1 577 . 1 . 1 60 60 ASP HA H 1 5.676 0.002 . 1 . . . . A 79 ASP HA . 36771 1 578 . 1 . 1 60 60 ASP HB2 H 1 3.509 0.008 . 2 . . . . A 79 ASP HB2 . 36771 1 579 . 1 . 1 60 60 ASP HB3 H 1 3.264 0.009 . 2 . . . . A 79 ASP HB3 . 36771 1 580 . 1 . 1 60 60 ASP C C 13 177.508 0.002 . 1 . . . . A 79 ASP C . 36771 1 581 . 1 . 1 60 60 ASP CA C 13 55.066 0.017 . 1 . . . . A 79 ASP CA . 36771 1 582 . 1 . 1 60 60 ASP CB C 13 41.427 0.027 . 1 . . . . A 79 ASP CB . 36771 1 583 . 1 . 1 60 60 ASP N N 15 123.261 0.009 . 1 . . . . A 79 ASP N . 36771 1 584 . 1 . 1 61 61 LEU H H 1 10.258 0.007 . 1 . . . . A 80 LEU H . 36771 1 585 . 1 . 1 61 61 LEU HA H 1 5.213 0.010 . 1 . . . . A 80 LEU HA . 36771 1 586 . 1 . 1 61 61 LEU HB2 H 1 2.253 0.007 . 2 . . . . A 80 LEU HB2 . 36771 1 587 . 1 . 1 61 61 LEU HB3 H 1 3.568 0.011 . 2 . . . . A 80 LEU HB3 . 36771 1 588 . 1 . 1 61 61 LEU HG H 1 6.003 0.012 . 1 . . . . A 80 LEU HG . 36771 1 589 . 1 . 1 61 61 LEU HD11 H 1 2.420 0.003 . 2 . . . . A 80 LEU HD11 . 36771 1 590 . 1 . 1 61 61 LEU HD12 H 1 2.420 0.003 . 2 . . . . A 80 LEU HD12 . 36771 1 591 . 1 . 1 61 61 LEU HD13 H 1 2.420 0.003 . 2 . . . . A 80 LEU HD13 . 36771 1 592 . 1 . 1 61 61 LEU HD21 H 1 3.401 0.001 . 2 . . . . A 80 LEU HD21 . 36771 1 593 . 1 . 1 61 61 LEU HD22 H 1 3.401 0.001 . 2 . . . . A 80 LEU HD22 . 36771 1 594 . 1 . 1 61 61 LEU HD23 H 1 3.401 0.001 . 2 . . . . A 80 LEU HD23 . 36771 1 595 . 1 . 1 61 61 LEU C C 13 178.176 0.002 . 1 . . . . A 80 LEU C . 36771 1 596 . 1 . 1 61 61 LEU CA C 13 58.395 0.010 . 1 . . . . A 80 LEU CA . 36771 1 597 . 1 . 1 61 61 LEU CB C 13 44.061 0.021 . 1 . . . . A 80 LEU CB . 36771 1 598 . 1 . 1 61 61 LEU CG C 13 29.218 0.001 . 1 . . . . A 80 LEU CG . 36771 1 599 . 1 . 1 61 61 LEU CD1 C 13 26.809 0.001 . 2 . . . . A 80 LEU CD1 . 36771 1 600 . 1 . 1 61 61 LEU CD2 C 13 23.400 0.001 . 2 . . . . A 80 LEU CD2 . 36771 1 601 . 1 . 1 61 61 LEU N N 15 126.875 0.015 . 1 . . . . A 80 LEU N . 36771 1 602 . 1 . 1 62 62 VAL H H 1 8.848 0.003 . 1 . . . . A 81 VAL H . 36771 1 603 . 1 . 1 62 62 VAL HA H 1 3.838 0.008 . 1 . . . . A 81 VAL HA . 36771 1 604 . 1 . 1 62 62 VAL HB H 1 2.710 0.006 . 1 . . . . A 81 VAL HB . 36771 1 605 . 1 . 1 62 62 VAL HG11 H 1 1.362 0.006 . 2 . . . . A 81 VAL HG11 . 36771 1 606 . 1 . 1 62 62 VAL HG12 H 1 1.362 0.006 . 2 . . . . A 81 VAL HG12 . 36771 1 607 . 1 . 1 62 62 VAL HG13 H 1 1.362 0.006 . 2 . . . . A 81 VAL HG13 . 36771 1 608 . 1 . 1 62 62 VAL HG21 H 1 1.156 0.005 . 2 . . . . A 81 VAL HG21 . 36771 1 609 . 1 . 1 62 62 VAL HG22 H 1 1.156 0.005 . 2 . . . . A 81 VAL HG22 . 36771 1 610 . 1 . 1 62 62 VAL HG23 H 1 1.156 0.005 . 2 . . . . A 81 VAL HG23 . 36771 1 611 . 1 . 1 62 62 VAL C C 13 179.590 0.002 . 1 . . . . A 81 VAL C . 36771 1 612 . 1 . 1 62 62 VAL CA C 13 66.974 0.018 . 1 . . . . A 81 VAL CA . 36771 1 613 . 1 . 1 62 62 VAL CB C 13 31.701 0.009 . 1 . . . . A 81 VAL CB . 36771 1 614 . 1 . 1 62 62 VAL CG1 C 13 24.083 0.015 . 2 . . . . A 81 VAL CG1 . 36771 1 615 . 1 . 1 62 62 VAL CG2 C 13 22.113 0.025 . 2 . . . . A 81 VAL CG2 . 36771 1 616 . 1 . 1 62 62 VAL N N 15 121.337 0.016 . 1 . . . . A 81 VAL N . 36771 1 617 . 1 . 1 63 63 GLU H H 1 7.901 0.009 . 1 . . . . A 82 GLU H . 36771 1 618 . 1 . 1 63 63 GLU HA H 1 4.208 0.008 . 1 . . . . A 82 GLU HA . 36771 1 619 . 1 . 1 63 63 GLU HB2 H 1 2.073 0.009 . 2 . . . . A 82 GLU HB2 . 36771 1 620 . 1 . 1 63 63 GLU HB3 H 1 2.116 0.010 . 2 . . . . A 82 GLU HB3 . 36771 1 621 . 1 . 1 63 63 GLU HG2 H 1 2.139 0.009 . 2 . . . . A 82 GLU HG2 . 36771 1 622 . 1 . 1 63 63 GLU HG3 H 1 2.139 0.009 . 2 . . . . A 82 GLU HG3 . 36771 1 623 . 1 . 1 63 63 GLU C C 13 177.793 0.002 . 1 . . . . A 82 GLU C . 36771 1 624 . 1 . 1 63 63 GLU CA C 13 58.078 0.001 . 1 . . . . A 82 GLU CA . 36771 1 625 . 1 . 1 63 63 GLU CB C 13 30.252 0.002 . 1 . . . . A 82 GLU CB . 36771 1 626 . 1 . 1 63 63 GLU CG C 13 35.621 0.003 . 1 . . . . A 82 GLU CG . 36771 1 627 . 1 . 1 63 63 GLU N N 15 117.967 0.016 . 1 . . . . A 82 GLU N . 36771 1 628 . 1 . 1 64 64 HIS H H 1 8.241 0.014 . 1 . . . . A 83 HIS H . 36771 1 629 . 1 . 1 64 64 HIS HA H 1 4.787 0.013 . 1 . . . . A 83 HIS HA . 36771 1 630 . 1 . 1 64 64 HIS HB2 H 1 3.436 0.004 . 2 . . . . A 83 HIS HB2 . 36771 1 631 . 1 . 1 64 64 HIS HB3 H 1 3.632 0.006 . 2 . . . . A 83 HIS HB3 . 36771 1 632 . 1 . 1 64 64 HIS C C 13 178.859 0.002 . 1 . . . . A 83 HIS C . 36771 1 633 . 1 . 1 64 64 HIS CA C 13 59.072 0.001 . 1 . . . . A 83 HIS CA . 36771 1 634 . 1 . 1 64 64 HIS CB C 13 32.032 0.009 . 1 . . . . A 83 HIS CB . 36771 1 635 . 1 . 1 64 64 HIS N N 15 112.572 0.018 . 1 . . . . A 83 HIS N . 36771 1 636 . 1 . 1 65 65 ALA H H 1 8.816 0.007 . 1 . . . . A 84 ALA H . 36771 1 637 . 1 . 1 65 65 ALA HA H 1 4.402 0.007 . 1 . . . . A 84 ALA HA . 36771 1 638 . 1 . 1 65 65 ALA HB1 H 1 1.549 0.004 . 1 . . . . A 84 ALA HB1 . 36771 1 639 . 1 . 1 65 65 ALA HB2 H 1 1.549 0.004 . 1 . . . . A 84 ALA HB2 . 36771 1 640 . 1 . 1 65 65 ALA HB3 H 1 1.549 0.004 . 1 . . . . A 84 ALA HB3 . 36771 1 641 . 1 . 1 65 65 ALA C C 13 177.384 0.002 . 1 . . . . A 84 ALA C . 36771 1 642 . 1 . 1 65 65 ALA CA C 13 57.749 0.001 . 1 . . . . A 84 ALA CA . 36771 1 643 . 1 . 1 65 65 ALA CB C 13 15.542 0.024 . 1 . . . . A 84 ALA CB . 36771 1 644 . 1 . 1 65 65 ALA N N 15 122.426 0.008 . 1 . . . . A 84 ALA N . 36771 1 645 . 1 . 1 66 66 PRO HA H 1 4.312 0.012 . 1 . . . . A 85 PRO HA . 36771 1 646 . 1 . 1 66 66 PRO HB2 H 1 1.243 0.002 . 2 . . . . A 85 PRO HB2 . 36771 1 647 . 1 . 1 66 66 PRO HB3 H 1 2.347 0.006 . 2 . . . . A 85 PRO HB3 . 36771 1 648 . 1 . 1 66 66 PRO HG2 H 1 1.870 0.006 . 2 . . . . A 85 PRO HG2 . 36771 1 649 . 1 . 1 66 66 PRO HG3 H 1 1.870 0.006 . 2 . . . . A 85 PRO HG3 . 36771 1 650 . 1 . 1 66 66 PRO HD2 H 1 3.722 0.008 . 2 . . . . A 85 PRO HD2 . 36771 1 651 . 1 . 1 66 66 PRO HD3 H 1 3.317 0.003 . 2 . . . . A 85 PRO HD3 . 36771 1 652 . 1 . 1 66 66 PRO CA C 13 65.476 0.001 . 1 . . . . A 85 PRO CA . 36771 1 653 . 1 . 1 66 66 PRO CB C 13 31.670 0.035 . 1 . . . . A 85 PRO CB . 36771 1 654 . 1 . 1 66 66 PRO CG C 13 28.371 0.001 . 1 . . . . A 85 PRO CG . 36771 1 655 . 1 . 1 66 66 PRO CD C 13 51.799 0.032 . 1 . . . . A 85 PRO CD . 36771 1 656 . 1 . 1 67 67 HIS H H 1 7.467 0.005 . 1 . . . . A 86 HIS H . 36771 1 657 . 1 . 1 67 67 HIS HA H 1 4.602 0.010 . 1 . . . . A 86 HIS HA . 36771 1 658 . 1 . 1 67 67 HIS HB2 H 1 3.184 0.025 . 2 . . . . A 86 HIS HB2 . 36771 1 659 . 1 . 1 67 67 HIS HB3 H 1 2.937 0.022 . 2 . . . . A 86 HIS HB3 . 36771 1 660 . 1 . 1 67 67 HIS C C 13 176.839 0.002 . 1 . . . . A 86 HIS C . 36771 1 661 . 1 . 1 67 67 HIS CA C 13 55.474 0.001 . 1 . . . . A 86 HIS CA . 36771 1 662 . 1 . 1 67 67 HIS CB C 13 30.413 0.002 . 1 . . . . A 86 HIS CB . 36771 1 663 . 1 . 1 67 67 HIS N N 15 112.720 0.007 . 1 . . . . A 86 HIS N . 36771 1 664 . 1 . 1 68 68 HIS H H 1 7.847 0.002 . 1 . . . . A 87 HIS H . 36771 1 665 . 1 . 1 68 68 HIS HA H 1 5.281 0.008 . 1 . . . . A 87 HIS HA . 36771 1 666 . 1 . 1 68 68 HIS HB2 H 1 2.760 0.007 . 2 . . . . A 87 HIS HB2 . 36771 1 667 . 1 . 1 68 68 HIS HB3 H 1 3.078 0.012 . 2 . . . . A 87 HIS HB3 . 36771 1 668 . 1 . 1 68 68 HIS C C 13 174.278 0.002 . 1 . . . . A 87 HIS C . 36771 1 669 . 1 . 1 68 68 HIS CA C 13 53.868 0.001 . 1 . . . . A 87 HIS CA . 36771 1 670 . 1 . 1 68 68 HIS CB C 13 33.317 0.028 . 1 . . . . A 87 HIS CB . 36771 1 671 . 1 . 1 68 68 HIS N N 15 116.837 0.015 . 1 . . . . A 87 HIS N . 36771 1 672 . 1 . 1 69 69 SER H H 1 9.767 0.003 . 1 . . . . A 88 SER H . 36771 1 673 . 1 . 1 69 69 SER HA H 1 4.544 0.004 . 1 . . . . A 88 SER HA . 36771 1 674 . 1 . 1 69 69 SER HB2 H 1 4.127 0.020 . 2 . . . . A 88 SER HB2 . 36771 1 675 . 1 . 1 69 69 SER HB3 H 1 4.123 0.018 . 2 . . . . A 88 SER HB3 . 36771 1 676 . 1 . 1 69 69 SER C C 13 174.727 0.002 . 1 . . . . A 88 SER C . 36771 1 677 . 1 . 1 69 69 SER CA C 13 57.490 0.001 . 1 . . . . A 88 SER CA . 36771 1 678 . 1 . 1 69 69 SER CB C 13 65.338 0.010 . 1 . . . . A 88 SER CB . 36771 1 679 . 1 . 1 69 69 SER N N 15 120.995 0.015 . 1 . . . . A 88 SER N . 36771 1 680 . 1 . 1 70 70 ASP H H 1 9.447 0.007 . 1 . . . . A 89 ASP H . 36771 1 681 . 1 . 1 70 70 ASP HA H 1 4.182 0.014 . 1 . . . . A 89 ASP HA . 36771 1 682 . 1 . 1 70 70 ASP HB2 H 1 2.946 0.005 . 2 . . . . A 89 ASP HB2 . 36771 1 683 . 1 . 1 70 70 ASP HB3 H 1 2.763 0.008 . 2 . . . . A 89 ASP HB3 . 36771 1 684 . 1 . 1 70 70 ASP C C 13 174.495 0.002 . 1 . . . . A 89 ASP C . 36771 1 685 . 1 . 1 70 70 ASP CA C 13 58.356 0.001 . 1 . . . . A 89 ASP CA . 36771 1 686 . 1 . 1 70 70 ASP CB C 13 40.311 0.017 . 1 . . . . A 89 ASP CB . 36771 1 687 . 1 . 1 70 70 ASP N N 15 121.457 0.002 . 1 . . . . A 89 ASP N . 36771 1 688 . 1 . 1 71 71 GLY H H 1 9.091 0.012 . 1 . . . . A 90 GLY H . 36771 1 689 . 1 . 1 71 71 GLY HA2 H 1 4.465 0.014 . 2 . . . . A 90 GLY HA2 . 36771 1 690 . 1 . 1 71 71 GLY HA3 H 1 3.906 0.011 . 2 . . . . A 90 GLY HA3 . 36771 1 691 . 1 . 1 71 71 GLY C C 13 178.104 0.002 . 1 . . . . A 90 GLY C . 36771 1 692 . 1 . 1 71 71 GLY CA C 13 47.557 0.029 . 1 . . . . A 90 GLY CA . 36771 1 693 . 1 . 1 71 71 GLY N N 15 107.284 0.005 . 1 . . . . A 90 GLY N . 36771 1 694 . 1 . 1 72 72 ASP H H 1 7.659 0.007 . 1 . . . . A 91 ASP H . 36771 1 695 . 1 . 1 72 72 ASP HA H 1 4.090 0.011 . 1 . . . . A 91 ASP HA . 36771 1 696 . 1 . 1 72 72 ASP HB2 H 1 2.841 0.007 . 2 . . . . A 91 ASP HB2 . 36771 1 697 . 1 . 1 72 72 ASP HB3 H 1 3.216 0.018 . 2 . . . . A 91 ASP HB3 . 36771 1 698 . 1 . 1 72 72 ASP C C 13 176.571 0.002 . 1 . . . . A 91 ASP C . 36771 1 699 . 1 . 1 72 72 ASP CA C 13 56.480 0.001 . 1 . . . . A 91 ASP CA . 36771 1 700 . 1 . 1 72 72 ASP CB C 13 42.782 0.020 . 1 . . . . A 91 ASP CB . 36771 1 701 . 1 . 1 72 72 ASP N N 15 122.602 0.010 . 1 . . . . A 91 ASP N . 36771 1 702 . 1 . 1 73 73 LEU H H 1 7.971 0.009 . 1 . . . . A 92 LEU H . 36771 1 703 . 1 . 1 73 73 LEU HA H 1 3.283 0.010 . 1 . . . . A 92 LEU HA . 36771 1 704 . 1 . 1 73 73 LEU HB2 H 1 0.533 0.010 . 2 . . . . A 92 LEU HB2 . 36771 1 705 . 1 . 1 73 73 LEU HB3 H 1 1.849 0.009 . 2 . . . . A 92 LEU HB3 . 36771 1 706 . 1 . 1 73 73 LEU HG H 1 0.793 0.008 . 1 . . . . A 92 LEU HG . 36771 1 707 . 1 . 1 73 73 LEU HD11 H 1 0.560 0.008 . 2 . . . . A 92 LEU HD11 . 36771 1 708 . 1 . 1 73 73 LEU HD12 H 1 0.560 0.008 . 2 . . . . A 92 LEU HD12 . 36771 1 709 . 1 . 1 73 73 LEU HD13 H 1 0.560 0.008 . 2 . . . . A 92 LEU HD13 . 36771 1 710 . 1 . 1 73 73 LEU HD21 H 1 0.559 0.008 . 2 . . . . A 92 LEU HD21 . 36771 1 711 . 1 . 1 73 73 LEU HD22 H 1 0.559 0.008 . 2 . . . . A 92 LEU HD22 . 36771 1 712 . 1 . 1 73 73 LEU HD23 H 1 0.559 0.008 . 2 . . . . A 92 LEU HD23 . 36771 1 713 . 1 . 1 73 73 LEU C C 13 177.103 0.002 . 1 . . . . A 92 LEU C . 36771 1 714 . 1 . 1 73 73 LEU CA C 13 58.354 0.033 . 1 . . . . A 92 LEU CA . 36771 1 715 . 1 . 1 73 73 LEU CB C 13 42.595 0.026 . 1 . . . . A 92 LEU CB . 36771 1 716 . 1 . 1 73 73 LEU CG C 13 25.353 0.001 . 1 . . . . A 92 LEU CG . 36771 1 717 . 1 . 1 73 73 LEU CD1 C 13 22.874 0.014 . 2 . . . . A 92 LEU CD1 . 36771 1 718 . 1 . 1 73 73 LEU CD2 C 13 22.872 0.018 . 2 . . . . A 92 LEU CD2 . 36771 1 719 . 1 . 1 73 73 LEU N N 15 114.901 0.009 . 1 . . . . A 92 LEU N . 36771 1 720 . 1 . 1 74 74 ALA H H 1 8.316 0.006 . 1 . . . . A 93 ALA H . 36771 1 721 . 1 . 1 74 74 ALA HA H 1 2.694 0.006 . 1 . . . . A 93 ALA HA . 36771 1 722 . 1 . 1 74 74 ALA HB1 H 1 0.477 0.010 . 1 . . . . A 93 ALA HB1 . 36771 1 723 . 1 . 1 74 74 ALA HB2 H 1 0.477 0.010 . 1 . . . . A 93 ALA HB2 . 36771 1 724 . 1 . 1 74 74 ALA HB3 H 1 0.477 0.010 . 1 . . . . A 93 ALA HB3 . 36771 1 725 . 1 . 1 74 74 ALA C C 13 178.075 0.002 . 1 . . . . A 93 ALA C . 36771 1 726 . 1 . 1 74 74 ALA CA C 13 54.841 0.014 . 1 . . . . A 93 ALA CA . 36771 1 727 . 1 . 1 74 74 ALA CB C 13 18.091 0.029 . 1 . . . . A 93 ALA CB . 36771 1 728 . 1 . 1 74 74 ALA N N 15 118.350 0.009 . 1 . . . . A 93 ALA N . 36771 1 729 . 1 . 1 75 75 TYR H H 1 7.684 0.007 . 1 . . . . A 94 TYR H . 36771 1 730 . 1 . 1 75 75 TYR HA H 1 3.866 0.006 . 1 . . . . A 94 TYR HA . 36771 1 731 . 1 . 1 75 75 TYR HB2 H 1 3.236 0.011 . 2 . . . . A 94 TYR HB2 . 36771 1 732 . 1 . 1 75 75 TYR HB3 H 1 3.104 0.005 . 2 . . . . A 94 TYR HB3 . 36771 1 733 . 1 . 1 75 75 TYR C C 13 178.500 0.002 . 1 . . . . A 94 TYR C . 36771 1 734 . 1 . 1 75 75 TYR CA C 13 62.264 0.024 . 1 . . . . A 94 TYR CA . 36771 1 735 . 1 . 1 75 75 TYR CB C 13 38.560 0.020 . 1 . . . . A 94 TYR CB . 36771 1 736 . 1 . 1 75 75 TYR N N 15 118.870 0.003 . 1 . . . . A 94 TYR N . 36771 1 737 . 1 . 1 76 76 ARG H H 1 7.914 0.003 . 1 . . . . A 95 ARG H . 36771 1 738 . 1 . 1 76 76 ARG HA H 1 4.373 0.010 . 1 . . . . A 95 ARG HA . 36771 1 739 . 1 . 1 76 76 ARG HB2 H 1 1.473 0.001 . 2 . . . . A 95 ARG HB2 . 36771 1 740 . 1 . 1 76 76 ARG HB3 H 1 1.410 0.002 . 2 . . . . A 95 ARG HB3 . 36771 1 741 . 1 . 1 76 76 ARG HD2 H 1 2.112 0.017 . 2 . . . . A 95 ARG HD2 . 36771 1 742 . 1 . 1 76 76 ARG HD3 H 1 2.029 0.011 . 2 . . . . A 95 ARG HD3 . 36771 1 743 . 1 . 1 76 76 ARG C C 13 177.146 0.002 . 1 . . . . A 95 ARG C . 36771 1 744 . 1 . 1 76 76 ARG CA C 13 60.105 0.002 . 1 . . . . A 95 ARG CA . 36771 1 745 . 1 . 1 76 76 ARG CB C 13 29.185 0.001 . 1 . . . . A 95 ARG CB . 36771 1 746 . 1 . 1 76 76 ARG CD C 13 44.722 0.001 . 1 . . . . A 95 ARG CD . 36771 1 747 . 1 . 1 76 76 ARG N N 15 117.464 0.007 . 1 . . . . A 95 ARG N . 36771 1 748 . 1 . 1 77 77 VAL H H 1 6.891 0.008 . 1 . . . . A 96 VAL H . 36771 1 749 . 1 . 1 77 77 VAL HA H 1 2.334 0.013 . 1 . . . . A 96 VAL HA . 36771 1 750 . 1 . 1 77 77 VAL HB H 1 1.108 0.008 . 1 . . . . A 96 VAL HB . 36771 1 751 . 1 . 1 77 77 VAL HG11 H 1 -1.231 0.010 . 2 . . . . A 96 VAL HG11 . 36771 1 752 . 1 . 1 77 77 VAL HG12 H 1 -1.231 0.010 . 2 . . . . A 96 VAL HG12 . 36771 1 753 . 1 . 1 77 77 VAL HG13 H 1 -1.231 0.010 . 2 . . . . A 96 VAL HG13 . 36771 1 754 . 1 . 1 77 77 VAL HG21 H 1 -2.278 0.009 . 2 . . . . A 96 VAL HG21 . 36771 1 755 . 1 . 1 77 77 VAL HG22 H 1 -2.278 0.009 . 2 . . . . A 96 VAL HG22 . 36771 1 756 . 1 . 1 77 77 VAL HG23 H 1 -2.278 0.009 . 2 . . . . A 96 VAL HG23 . 36771 1 757 . 1 . 1 77 77 VAL C C 13 178.875 0.002 . 1 . . . . A 96 VAL C . 36771 1 758 . 1 . 1 77 77 VAL CA C 13 65.512 0.024 . 1 . . . . A 96 VAL CA . 36771 1 759 . 1 . 1 77 77 VAL CB C 13 30.055 0.006 . 1 . . . . A 96 VAL CB . 36771 1 760 . 1 . 1 77 77 VAL CG1 C 13 20.770 0.021 . 2 . . . . A 96 VAL CG1 . 36771 1 761 . 1 . 1 77 77 VAL CG2 C 13 21.711 0.035 . 2 . . . . A 96 VAL CG2 . 36771 1 762 . 1 . 1 77 77 VAL N N 15 114.795 0.003 . 1 . . . . A 96 VAL N . 36771 1 763 . 1 . 1 78 78 ARG H H 1 8.463 0.005 . 1 . . . . A 97 ARG H . 36771 1 764 . 1 . 1 78 78 ARG HA H 1 3.507 0.010 . 1 . . . . A 97 ARG HA . 36771 1 765 . 1 . 1 78 78 ARG HB2 H 1 1.825 0.012 . 2 . . . . A 97 ARG HB2 . 36771 1 766 . 1 . 1 78 78 ARG HB3 H 1 1.768 0.019 . 2 . . . . A 97 ARG HB3 . 36771 1 767 . 1 . 1 78 78 ARG HG2 H 1 1.478 0.008 . 2 . . . . A 97 ARG HG2 . 36771 1 768 . 1 . 1 78 78 ARG HG3 H 1 1.398 0.010 . 2 . . . . A 97 ARG HG3 . 36771 1 769 . 1 . 1 78 78 ARG HD2 H 1 3.176 0.011 . 2 . . . . A 97 ARG HD2 . 36771 1 770 . 1 . 1 78 78 ARG HD3 H 1 3.148 0.015 . 2 . . . . A 97 ARG HD3 . 36771 1 771 . 1 . 1 78 78 ARG C C 13 176.085 0.002 . 1 . . . . A 97 ARG C . 36771 1 772 . 1 . 1 78 78 ARG CA C 13 60.075 0.008 . 1 . . . . A 97 ARG CA . 36771 1 773 . 1 . 1 78 78 ARG CB C 13 31.972 0.001 . 1 . . . . A 97 ARG CB . 36771 1 774 . 1 . 1 78 78 ARG CG C 13 28.666 0.001 . 1 . . . . A 97 ARG CG . 36771 1 775 . 1 . 1 78 78 ARG CD C 13 43.552 0.042 . 1 . . . . A 97 ARG CD . 36771 1 776 . 1 . 1 78 78 ARG N N 15 119.900 0.010 . 1 . . . . A 97 ARG N . 36771 1 777 . 1 . 1 79 79 ILE H H 1 8.930 0.010 . 1 . . . . A 98 ILE H . 36771 1 778 . 1 . 1 79 79 ILE HA H 1 4.653 0.011 . 1 . . . . A 98 ILE HA . 36771 1 779 . 1 . 1 79 79 ILE HB H 1 2.061 0.004 . 1 . . . . A 98 ILE HB . 36771 1 780 . 1 . 1 79 79 ILE HG12 H 1 1.276 0.008 . 2 . . . . A 98 ILE HG12 . 36771 1 781 . 1 . 1 79 79 ILE HG13 H 1 1.276 0.008 . 2 . . . . A 98 ILE HG13 . 36771 1 782 . 1 . 1 79 79 ILE HG21 H 1 1.444 0.007 . 1 . . . . A 98 ILE HG21 . 36771 1 783 . 1 . 1 79 79 ILE HG22 H 1 1.444 0.007 . 1 . . . . A 98 ILE HG22 . 36771 1 784 . 1 . 1 79 79 ILE HG23 H 1 1.444 0.007 . 1 . . . . A 98 ILE HG23 . 36771 1 785 . 1 . 1 79 79 ILE HD11 H 1 0.905 0.007 . 1 . . . . A 98 ILE HD11 . 36771 1 786 . 1 . 1 79 79 ILE HD12 H 1 0.905 0.007 . 1 . . . . A 98 ILE HD12 . 36771 1 787 . 1 . 1 79 79 ILE HD13 H 1 0.905 0.007 . 1 . . . . A 98 ILE HD13 . 36771 1 788 . 1 . 1 79 79 ILE C C 13 178.061 0.002 . 1 . . . . A 98 ILE C . 36771 1 789 . 1 . 1 79 79 ILE CA C 13 60.936 0.001 . 1 . . . . A 98 ILE CA . 36771 1 790 . 1 . 1 79 79 ILE CB C 13 38.575 0.001 . 1 . . . . A 98 ILE CB . 36771 1 791 . 1 . 1 79 79 ILE CG1 C 13 27.501 0.001 . 1 . . . . A 98 ILE CG1 . 36771 1 792 . 1 . 1 79 79 ILE CG2 C 13 17.883 0.005 . 1 . . . . A 98 ILE CG2 . 36771 1 793 . 1 . 1 79 79 ILE CD1 C 13 10.236 0.017 . 1 . . . . A 98 ILE CD1 . 36771 1 794 . 1 . 1 79 79 ILE N N 15 117.306 0.013 . 1 . . . . A 98 ILE N . 36771 1 795 . 1 . 1 80 80 GLY H H 1 8.840 0.011 . 1 . . . . A 99 GLY H . 36771 1 796 . 1 . 1 80 80 GLY HA2 H 1 6.838 0.008 . 2 . . . . A 99 GLY HA2 . 36771 1 797 . 1 . 1 80 80 GLY HA3 H 1 7.408 0.020 . 2 . . . . A 99 GLY HA3 . 36771 1 798 . 1 . 1 80 80 GLY C C 13 178.820 0.002 . 1 . . . . A 99 GLY C . 36771 1 799 . 1 . 1 80 80 GLY CA C 13 46.297 0.011 . 1 . . . . A 99 GLY CA . 36771 1 800 . 1 . 1 80 80 GLY N N 15 109.106 0.006 . 1 . . . . A 99 GLY N . 36771 1 801 . 1 . 1 81 81 ARG H H 1 10.949 0.010 . 1 . . . . A 100 ARG H . 36771 1 802 . 1 . 1 81 81 ARG HA H 1 4.507 0.001 . 1 . . . . A 100 ARG HA . 36771 1 803 . 1 . 1 81 81 ARG HB2 H 1 0.775 0.008 . 2 . . . . A 100 ARG HB2 . 36771 1 804 . 1 . 1 81 81 ARG HB3 H 1 1.315 0.008 . 2 . . . . A 100 ARG HB3 . 36771 1 805 . 1 . 1 81 81 ARG HG2 H 1 1.322 0.003 . 2 . . . . A 100 ARG HG2 . 36771 1 806 . 1 . 1 81 81 ARG HG3 H 1 1.322 0.003 . 2 . . . . A 100 ARG HG3 . 36771 1 807 . 1 . 1 81 81 ARG HD2 H 1 2.257 0.006 . 2 . . . . A 100 ARG HD2 . 36771 1 808 . 1 . 1 81 81 ARG HD3 H 1 1.776 0.009 . 2 . . . . A 100 ARG HD3 . 36771 1 809 . 1 . 1 81 81 ARG C C 13 173.091 0.002 . 1 . . . . A 100 ARG C . 36771 1 810 . 1 . 1 81 81 ARG CA C 13 58.933 0.001 . 1 . . . . A 100 ARG CA . 36771 1 811 . 1 . 1 81 81 ARG CB C 13 31.343 0.036 . 1 . . . . A 100 ARG CB . 36771 1 812 . 1 . 1 81 81 ARG CG C 13 26.820 0.001 . 1 . . . . A 100 ARG CG . 36771 1 813 . 1 . 1 81 81 ARG CD C 13 43.085 0.033 . 1 . . . . A 100 ARG CD . 36771 1 814 . 1 . 1 81 81 ARG N N 15 116.688 0.005 . 1 . . . . A 100 ARG N . 36771 1 815 . 1 . 1 83 83 PRO HA H 1 4.233 0.005 . 1 . . . . A 102 PRO HA . 36771 1 816 . 1 . 1 83 83 PRO HB2 H 1 1.653 0.008 . 2 . . . . A 102 PRO HB2 . 36771 1 817 . 1 . 1 83 83 PRO HB3 H 1 0.424 0.009 . 2 . . . . A 102 PRO HB3 . 36771 1 818 . 1 . 1 83 83 PRO HG2 H 1 1.178 0.006 . 2 . . . . A 102 PRO HG2 . 36771 1 819 . 1 . 1 83 83 PRO HG3 H 1 0.214 0.011 . 2 . . . . A 102 PRO HG3 . 36771 1 820 . 1 . 1 83 83 PRO HD2 H 1 3.345 0.013 . 2 . . . . A 102 PRO HD2 . 36771 1 821 . 1 . 1 83 83 PRO HD3 H 1 3.281 0.004 . 2 . . . . A 102 PRO HD3 . 36771 1 822 . 1 . 1 83 83 PRO CA C 13 63.071 0.011 . 1 . . . . A 102 PRO CA . 36771 1 823 . 1 . 1 83 83 PRO CB C 13 31.881 0.014 . 1 . . . . A 102 PRO CB . 36771 1 824 . 1 . 1 83 83 PRO CG C 13 25.909 0.017 . 1 . . . . A 102 PRO CG . 36771 1 825 . 1 . 1 83 83 PRO CD C 13 50.573 0.022 . 1 . . . . A 102 PRO CD . 36771 1 826 . 1 . 1 84 84 MET H H 1 7.913 0.003 . 1 . . . . A 103 MET H . 36771 1 827 . 1 . 1 84 84 MET HE1 H 1 0.709 0.007 . 1 . . . . A 103 MET HE1 . 36771 1 828 . 1 . 1 84 84 MET HE2 H 1 0.709 0.007 . 1 . . . . A 103 MET HE2 . 36771 1 829 . 1 . 1 84 84 MET HE3 H 1 0.709 0.007 . 1 . . . . A 103 MET HE3 . 36771 1 830 . 1 . 1 84 84 MET C C 13 176.223 0.002 . 1 . . . . A 103 MET C . 36771 1 831 . 1 . 1 84 84 MET CE C 13 15.881 0.016 . 1 . . . . A 103 MET CE . 36771 1 832 . 1 . 1 84 84 MET N N 15 120.034 0.017 . 1 . . . . A 103 MET N . 36771 1 833 . 1 . 1 85 85 PRO HA H 1 6.012 0.005 . 1 . . . . A 104 PRO HA . 36771 1 834 . 1 . 1 85 85 PRO HB2 H 1 3.483 0.003 . 2 . . . . A 104 PRO HB2 . 36771 1 835 . 1 . 1 85 85 PRO HB3 H 1 3.158 0.010 . 2 . . . . A 104 PRO HB3 . 36771 1 836 . 1 . 1 85 85 PRO HG2 H 1 4.004 0.001 . 2 . . . . A 104 PRO HG2 . 36771 1 837 . 1 . 1 85 85 PRO HG3 H 1 3.854 0.005 . 2 . . . . A 104 PRO HG3 . 36771 1 838 . 1 . 1 85 85 PRO CA C 13 65.835 0.030 . 1 . . . . A 104 PRO CA . 36771 1 839 . 1 . 1 85 85 PRO CB C 13 33.506 0.017 . 1 . . . . A 104 PRO CB . 36771 1 840 . 1 . 1 85 85 PRO CG C 13 30.693 0.020 . 1 . . . . A 104 PRO CG . 36771 1 841 . 1 . 1 86 86 GLY H H 1 9.337 0.007 . 1 . . . . A 105 GLY H . 36771 1 842 . 1 . 1 86 86 GLY HA2 H 1 5.971 0.010 . 2 . . . . A 105 GLY HA2 . 36771 1 843 . 1 . 1 86 86 GLY HA3 H 1 4.250 0.008 . 2 . . . . A 105 GLY HA3 . 36771 1 844 . 1 . 1 86 86 GLY C C 13 177.007 0.002 . 1 . . . . A 105 GLY C . 36771 1 845 . 1 . 1 86 86 GLY CA C 13 45.469 0.033 . 1 . . . . A 105 GLY CA . 36771 1 846 . 1 . 1 86 86 GLY N N 15 103.373 0.009 . 1 . . . . A 105 GLY N . 36771 1 847 . 1 . 1 87 87 PHE H H 1 9.354 0.005 . 1 . . . . A 106 PHE H . 36771 1 848 . 1 . 1 87 87 PHE HA H 1 4.742 0.009 . 1 . . . . A 106 PHE HA . 36771 1 849 . 1 . 1 87 87 PHE HB2 H 1 2.766 0.010 . 2 . . . . A 106 PHE HB2 . 36771 1 850 . 1 . 1 87 87 PHE HB3 H 1 1.918 0.008 . 2 . . . . A 106 PHE HB3 . 36771 1 851 . 1 . 1 87 87 PHE C C 13 177.049 0.002 . 1 . . . . A 106 PHE C . 36771 1 852 . 1 . 1 87 87 PHE CA C 13 59.517 0.001 . 1 . . . . A 106 PHE CA . 36771 1 853 . 1 . 1 87 87 PHE CB C 13 39.083 0.020 . 1 . . . . A 106 PHE CB . 36771 1 854 . 1 . 1 87 87 PHE N N 15 120.049 0.005 . 1 . . . . A 106 PHE N . 36771 1 855 . 1 . 1 88 88 GLY H H 1 9.522 0.006 . 1 . . . . A 107 GLY H . 36771 1 856 . 1 . 1 88 88 GLY HA2 H 1 3.945 0.006 . 2 . . . . A 107 GLY HA2 . 36771 1 857 . 1 . 1 88 88 GLY HA3 H 1 3.839 0.011 . 2 . . . . A 107 GLY HA3 . 36771 1 858 . 1 . 1 88 88 GLY C C 13 176.702 0.002 . 1 . . . . A 107 GLY C . 36771 1 859 . 1 . 1 88 88 GLY CA C 13 47.347 0.030 . 1 . . . . A 107 GLY CA . 36771 1 860 . 1 . 1 88 88 GLY N N 15 110.330 0.011 . 1 . . . . A 107 GLY N . 36771 1 861 . 1 . 1 89 89 ASP H H 1 8.374 0.005 . 1 . . . . A 108 ASP H . 36771 1 862 . 1 . 1 89 89 ASP HA H 1 4.788 0.002 . 1 . . . . A 108 ASP HA . 36771 1 863 . 1 . 1 89 89 ASP HB2 H 1 2.750 0.005 . 2 . . . . A 108 ASP HB2 . 36771 1 864 . 1 . 1 89 89 ASP HB3 H 1 2.763 0.015 . 2 . . . . A 108 ASP HB3 . 36771 1 865 . 1 . 1 89 89 ASP C C 13 173.597 0.002 . 1 . . . . A 108 ASP C . 36771 1 866 . 1 . 1 89 89 ASP CA C 13 54.937 0.001 . 1 . . . . A 108 ASP CA . 36771 1 867 . 1 . 1 89 89 ASP CB C 13 40.758 0.005 . 1 . . . . A 108 ASP CB . 36771 1 868 . 1 . 1 89 89 ASP N N 15 116.090 0.007 . 1 . . . . A 108 ASP N . 36771 1 869 . 1 . 1 90 90 ALA H H 1 7.548 0.007 . 1 . . . . A 109 ALA H . 36771 1 870 . 1 . 1 90 90 ALA HA H 1 4.449 0.005 . 1 . . . . A 109 ALA HA . 36771 1 871 . 1 . 1 90 90 ALA HB1 H 1 1.405 0.005 . 1 . . . . A 109 ALA HB1 . 36771 1 872 . 1 . 1 90 90 ALA HB2 H 1 1.405 0.005 . 1 . . . . A 109 ALA HB2 . 36771 1 873 . 1 . 1 90 90 ALA HB3 H 1 1.405 0.005 . 1 . . . . A 109 ALA HB3 . 36771 1 874 . 1 . 1 90 90 ALA C C 13 176.220 0.002 . 1 . . . . A 109 ALA C . 36771 1 875 . 1 . 1 90 90 ALA CA C 13 52.928 0.001 . 1 . . . . A 109 ALA CA . 36771 1 876 . 1 . 1 90 90 ALA CB C 13 21.128 0.015 . 1 . . . . A 109 ALA CB . 36771 1 877 . 1 . 1 90 90 ALA N N 15 121.949 0.013 . 1 . . . . A 109 ALA N . 36771 1 878 . 1 . 1 91 91 LEU H H 1 7.729 0.005 . 1 . . . . A 110 LEU H . 36771 1 879 . 1 . 1 91 91 LEU HA H 1 4.537 0.010 . 1 . . . . A 110 LEU HA . 36771 1 880 . 1 . 1 91 91 LEU HB2 H 1 1.394 0.013 . 2 . . . . A 110 LEU HB2 . 36771 1 881 . 1 . 1 91 91 LEU HB3 H 1 1.279 0.003 . 2 . . . . A 110 LEU HB3 . 36771 1 882 . 1 . 1 91 91 LEU HG H 1 1.384 0.005 . 1 . . . . A 110 LEU HG . 36771 1 883 . 1 . 1 91 91 LEU HD11 H 1 -0.188 0.008 . 2 . . . . A 110 LEU HD11 . 36771 1 884 . 1 . 1 91 91 LEU HD12 H 1 -0.188 0.008 . 2 . . . . A 110 LEU HD12 . 36771 1 885 . 1 . 1 91 91 LEU HD13 H 1 -0.188 0.008 . 2 . . . . A 110 LEU HD13 . 36771 1 886 . 1 . 1 91 91 LEU HD21 H 1 0.312 0.007 . 2 . . . . A 110 LEU HD21 . 36771 1 887 . 1 . 1 91 91 LEU HD22 H 1 0.312 0.007 . 2 . . . . A 110 LEU HD22 . 36771 1 888 . 1 . 1 91 91 LEU HD23 H 1 0.312 0.007 . 2 . . . . A 110 LEU HD23 . 36771 1 889 . 1 . 1 91 91 LEU C C 13 176.476 0.002 . 1 . . . . A 110 LEU C . 36771 1 890 . 1 . 1 91 91 LEU CA C 13 52.954 0.001 . 1 . . . . A 110 LEU CA . 36771 1 891 . 1 . 1 91 91 LEU CB C 13 43.182 0.023 . 1 . . . . A 110 LEU CB . 36771 1 892 . 1 . 1 91 91 LEU CG C 13 26.899 0.034 . 1 . . . . A 110 LEU CG . 36771 1 893 . 1 . 1 91 91 LEU CD1 C 13 25.153 0.014 . 2 . . . . A 110 LEU CD1 . 36771 1 894 . 1 . 1 91 91 LEU CD2 C 13 22.462 0.020 . 2 . . . . A 110 LEU CD2 . 36771 1 895 . 1 . 1 91 91 LEU N N 15 117.859 0.007 . 1 . . . . A 110 LEU N . 36771 1 896 . 1 . 1 92 92 ASP H H 1 8.667 0.002 . 1 . . . . A 111 ASP H . 36771 1 897 . 1 . 1 92 92 ASP HA H 1 4.607 0.004 . 1 . . . . A 111 ASP HA . 36771 1 898 . 1 . 1 92 92 ASP HB2 H 1 2.592 0.006 . 2 . . . . A 111 ASP HB2 . 36771 1 899 . 1 . 1 92 92 ASP HB3 H 1 2.733 0.008 . 2 . . . . A 111 ASP HB3 . 36771 1 900 . 1 . 1 92 92 ASP C C 13 175.917 0.002 . 1 . . . . A 111 ASP C . 36771 1 901 . 1 . 1 92 92 ASP CA C 13 52.944 0.002 . 1 . . . . A 111 ASP CA . 36771 1 902 . 1 . 1 92 92 ASP CB C 13 42.426 0.012 . 1 . . . . A 111 ASP CB . 36771 1 903 . 1 . 1 92 92 ASP N N 15 120.971 0.007 . 1 . . . . A 111 ASP N . 36771 1 904 . 1 . 1 93 93 GLU H H 1 8.338 0.001 . 1 . . . . A 112 GLU H . 36771 1 905 . 1 . 1 93 93 GLU HA H 1 3.652 0.006 . 1 . . . . A 112 GLU HA . 36771 1 906 . 1 . 1 93 93 GLU HB2 H 1 2.047 0.008 . 2 . . . . A 112 GLU HB2 . 36771 1 907 . 1 . 1 93 93 GLU HB3 H 1 1.925 0.011 . 2 . . . . A 112 GLU HB3 . 36771 1 908 . 1 . 1 93 93 GLU HG2 H 1 2.354 0.011 . 2 . . . . A 112 GLU HG2 . 36771 1 909 . 1 . 1 93 93 GLU HG3 H 1 2.256 0.010 . 2 . . . . A 112 GLU HG3 . 36771 1 910 . 1 . 1 93 93 GLU C C 13 176.545 0.002 . 1 . . . . A 112 GLU C . 36771 1 911 . 1 . 1 93 93 GLU CA C 13 60.246 0.013 . 1 . . . . A 112 GLU CA . 36771 1 912 . 1 . 1 93 93 GLU CB C 13 29.639 0.018 . 1 . . . . A 112 GLU CB . 36771 1 913 . 1 . 1 93 93 GLU CG C 13 36.391 0.001 . 1 . . . . A 112 GLU CG . 36771 1 914 . 1 . 1 93 93 GLU N N 15 120.133 0.004 . 1 . . . . A 112 GLU N . 36771 1 915 . 1 . 1 94 94 ARG H H 1 8.409 0.006 . 1 . . . . A 113 ARG H . 36771 1 916 . 1 . 1 94 94 ARG HA H 1 3.875 0.006 . 1 . . . . A 113 ARG HA . 36771 1 917 . 1 . 1 94 94 ARG HB2 H 1 1.803 0.001 . 2 . . . . A 113 ARG HB2 . 36771 1 918 . 1 . 1 94 94 ARG HB3 H 1 1.892 0.016 . 2 . . . . A 113 ARG HB3 . 36771 1 919 . 1 . 1 94 94 ARG HG2 H 1 1.887 0.017 . 2 . . . . A 113 ARG HG2 . 36771 1 920 . 1 . 1 94 94 ARG HG3 H 1 1.883 0.015 . 2 . . . . A 113 ARG HG3 . 36771 1 921 . 1 . 1 94 94 ARG HD2 H 1 3.254 0.002 . 2 . . . . A 113 ARG HD2 . 36771 1 922 . 1 . 1 94 94 ARG HD3 H 1 3.071 0.002 . 2 . . . . A 113 ARG HD3 . 36771 1 923 . 1 . 1 94 94 ARG C C 13 178.305 0.002 . 1 . . . . A 113 ARG C . 36771 1 924 . 1 . 1 94 94 ARG CA C 13 60.334 0.010 . 1 . . . . A 113 ARG CA . 36771 1 925 . 1 . 1 94 94 ARG CB C 13 30.200 0.001 . 1 . . . . A 113 ARG CB . 36771 1 926 . 1 . 1 94 94 ARG CG C 13 26.591 0.001 . 1 . . . . A 113 ARG CG . 36771 1 927 . 1 . 1 94 94 ARG CD C 13 43.779 0.016 . 1 . . . . A 113 ARG CD . 36771 1 928 . 1 . 1 94 94 ARG N N 15 118.039 0.014 . 1 . . . . A 113 ARG N . 36771 1 929 . 1 . 1 95 95 ASP H H 1 7.194 0.003 . 1 . . . . A 114 ASP H . 36771 1 930 . 1 . 1 95 95 ASP HA H 1 3.874 0.008 . 1 . . . . A 114 ASP HA . 36771 1 931 . 1 . 1 95 95 ASP HB2 H 1 2.205 0.009 . 2 . . . . A 114 ASP HB2 . 36771 1 932 . 1 . 1 95 95 ASP HB3 H 1 3.065 0.008 . 2 . . . . A 114 ASP HB3 . 36771 1 933 . 1 . 1 95 95 ASP C C 13 176.738 0.002 . 1 . . . . A 114 ASP C . 36771 1 934 . 1 . 1 95 95 ASP CA C 13 56.940 0.011 . 1 . . . . A 114 ASP CA . 36771 1 935 . 1 . 1 95 95 ASP CB C 13 41.938 0.014 . 1 . . . . A 114 ASP CB . 36771 1 936 . 1 . 1 95 95 ASP N N 15 116.131 0.006 . 1 . . . . A 114 ASP N . 36771 1 937 . 1 . 1 96 96 ILE H H 1 6.998 0.008 . 1 . . . . A 115 ILE H . 36771 1 938 . 1 . 1 96 96 ILE HA H 1 2.816 0.009 . 1 . . . . A 115 ILE HA . 36771 1 939 . 1 . 1 96 96 ILE HB H 1 1.392 0.009 . 1 . . . . A 115 ILE HB . 36771 1 940 . 1 . 1 96 96 ILE HG12 H 1 0.310 0.009 . 2 . . . . A 115 ILE HG12 . 36771 1 941 . 1 . 1 96 96 ILE HG13 H 1 1.129 0.010 . 2 . . . . A 115 ILE HG13 . 36771 1 942 . 1 . 1 96 96 ILE HG21 H 1 -0.121 0.013 . 1 . . . . A 115 ILE HG21 . 36771 1 943 . 1 . 1 96 96 ILE HG22 H 1 -0.121 0.013 . 1 . . . . A 115 ILE HG22 . 36771 1 944 . 1 . 1 96 96 ILE HG23 H 1 -0.121 0.013 . 1 . . . . A 115 ILE HG23 . 36771 1 945 . 1 . 1 96 96 ILE HD11 H 1 0.125 0.008 . 1 . . . . A 115 ILE HD11 . 36771 1 946 . 1 . 1 96 96 ILE HD12 H 1 0.125 0.008 . 1 . . . . A 115 ILE HD12 . 36771 1 947 . 1 . 1 96 96 ILE HD13 H 1 0.125 0.008 . 1 . . . . A 115 ILE HD13 . 36771 1 948 . 1 . 1 96 96 ILE C C 13 177.550 0.002 . 1 . . . . A 115 ILE C . 36771 1 949 . 1 . 1 96 96 ILE CA C 13 64.629 0.019 . 1 . . . . A 115 ILE CA . 36771 1 950 . 1 . 1 96 96 ILE CB C 13 35.602 0.019 . 1 . . . . A 115 ILE CB . 36771 1 951 . 1 . 1 96 96 ILE CG1 C 13 28.677 0.022 . 1 . . . . A 115 ILE CG1 . 36771 1 952 . 1 . 1 96 96 ILE CG2 C 13 17.180 0.016 . 1 . . . . A 115 ILE CG2 . 36771 1 953 . 1 . 1 96 96 ILE CD1 C 13 11.059 0.034 . 1 . . . . A 115 ILE CD1 . 36771 1 954 . 1 . 1 96 96 ILE N N 15 116.919 0.007 . 1 . . . . A 115 ILE N . 36771 1 955 . 1 . 1 97 97 TRP H H 1 7.423 0.004 . 1 . . . . A 116 TRP H . 36771 1 956 . 1 . 1 97 97 TRP HA H 1 4.370 0.009 . 1 . . . . A 116 TRP HA . 36771 1 957 . 1 . 1 97 97 TRP HB2 H 1 3.429 0.006 . 2 . . . . A 116 TRP HB2 . 36771 1 958 . 1 . 1 97 97 TRP HB3 H 1 2.938 0.007 . 2 . . . . A 116 TRP HB3 . 36771 1 959 . 1 . 1 97 97 TRP HE1 H 1 10.465 0.002 . 1 . . . . A 116 TRP HE1 . 36771 1 960 . 1 . 1 97 97 TRP C C 13 177.354 0.002 . 1 . . . . A 116 TRP C . 36771 1 961 . 1 . 1 97 97 TRP CA C 13 59.628 0.001 . 1 . . . . A 116 TRP CA . 36771 1 962 . 1 . 1 97 97 TRP CB C 13 29.570 0.029 . 1 . . . . A 116 TRP CB . 36771 1 963 . 1 . 1 97 97 TRP N N 15 119.754 0.006 . 1 . . . . A 116 TRP N . 36771 1 964 . 1 . 1 97 97 TRP NE1 N 15 128.298 0.012 . 1 . . . . A 116 TRP NE1 . 36771 1 965 . 1 . 1 98 98 ASP H H 1 8.735 0.002 . 1 . . . . A 117 ASP H . 36771 1 966 . 1 . 1 98 98 ASP HA H 1 4.139 0.013 . 1 . . . . A 117 ASP HA . 36771 1 967 . 1 . 1 98 98 ASP HB2 H 1 2.522 0.012 . 2 . . . . A 117 ASP HB2 . 36771 1 968 . 1 . 1 98 98 ASP HB3 H 1 2.522 0.012 . 2 . . . . A 117 ASP HB3 . 36771 1 969 . 1 . 1 98 98 ASP C C 13 178.325 0.002 . 1 . . . . A 117 ASP C . 36771 1 970 . 1 . 1 98 98 ASP CA C 13 58.098 0.002 . 1 . . . . A 117 ASP CA . 36771 1 971 . 1 . 1 98 98 ASP CB C 13 39.515 0.001 . 1 . . . . A 117 ASP CB . 36771 1 972 . 1 . 1 98 98 ASP N N 15 120.493 0.009 . 1 . . . . A 117 ASP N . 36771 1 973 . 1 . 1 99 99 LEU H H 1 7.571 0.006 . 1 . . . . A 118 LEU H . 36771 1 974 . 1 . 1 99 99 LEU HA H 1 3.408 0.007 . 1 . . . . A 118 LEU HA . 36771 1 975 . 1 . 1 99 99 LEU HB2 H 1 -0.270 0.011 . 2 . . . . A 118 LEU HB2 . 36771 1 976 . 1 . 1 99 99 LEU HB3 H 1 1.540 0.008 . 2 . . . . A 118 LEU HB3 . 36771 1 977 . 1 . 1 99 99 LEU HG H 1 -0.553 0.015 . 1 . . . . A 118 LEU HG . 36771 1 978 . 1 . 1 99 99 LEU HD11 H 1 0.013 0.013 . 2 . . . . A 118 LEU HD11 . 36771 1 979 . 1 . 1 99 99 LEU HD12 H 1 0.013 0.013 . 2 . . . . A 118 LEU HD12 . 36771 1 980 . 1 . 1 99 99 LEU HD13 H 1 0.013 0.013 . 2 . . . . A 118 LEU HD13 . 36771 1 981 . 1 . 1 99 99 LEU HD21 H 1 0.015 0.011 . 2 . . . . A 118 LEU HD21 . 36771 1 982 . 1 . 1 99 99 LEU HD22 H 1 0.015 0.011 . 2 . . . . A 118 LEU HD22 . 36771 1 983 . 1 . 1 99 99 LEU HD23 H 1 0.015 0.011 . 2 . . . . A 118 LEU HD23 . 36771 1 984 . 1 . 1 99 99 LEU C C 13 179.269 0.002 . 1 . . . . A 118 LEU C . 36771 1 985 . 1 . 1 99 99 LEU CA C 13 58.386 0.018 . 1 . . . . A 118 LEU CA . 36771 1 986 . 1 . 1 99 99 LEU CB C 13 42.211 0.035 . 1 . . . . A 118 LEU CB . 36771 1 987 . 1 . 1 99 99 LEU CG C 13 26.556 0.010 . 1 . . . . A 118 LEU CG . 36771 1 988 . 1 . 1 99 99 LEU CD2 C 13 24.020 0.028 . 1 . . . . A 118 LEU CD2 . 36771 1 989 . 1 . 1 99 99 LEU N N 15 120.659 0.014 . 1 . . . . A 118 LEU N . 36771 1 990 . 1 . 1 100 100 VAL H H 1 7.851 0.008 . 1 . . . . A 119 VAL H . 36771 1 991 . 1 . 1 100 100 VAL HA H 1 2.913 0.008 . 1 . . . . A 119 VAL HA . 36771 1 992 . 1 . 1 100 100 VAL HB H 1 2.299 0.010 . 1 . . . . A 119 VAL HB . 36771 1 993 . 1 . 1 100 100 VAL HG11 H 1 0.860 0.008 . 2 . . . . A 119 VAL HG11 . 36771 1 994 . 1 . 1 100 100 VAL HG12 H 1 0.860 0.008 . 2 . . . . A 119 VAL HG12 . 36771 1 995 . 1 . 1 100 100 VAL HG13 H 1 0.860 0.008 . 2 . . . . A 119 VAL HG13 . 36771 1 996 . 1 . 1 100 100 VAL HG21 H 1 0.400 0.013 . 2 . . . . A 119 VAL HG21 . 36771 1 997 . 1 . 1 100 100 VAL HG22 H 1 0.400 0.013 . 2 . . . . A 119 VAL HG22 . 36771 1 998 . 1 . 1 100 100 VAL HG23 H 1 0.400 0.013 . 2 . . . . A 119 VAL HG23 . 36771 1 999 . 1 . 1 100 100 VAL C C 13 178.649 0.002 . 1 . . . . A 119 VAL C . 36771 1 1000 . 1 . 1 100 100 VAL CA C 13 67.710 0.018 . 1 . . . . A 119 VAL CA . 36771 1 1001 . 1 . 1 100 100 VAL CB C 13 30.937 0.029 . 1 . . . . A 119 VAL CB . 36771 1 1002 . 1 . 1 100 100 VAL CG1 C 13 21.033 0.001 . 2 . . . . A 119 VAL CG1 . 36771 1 1003 . 1 . 1 100 100 VAL CG2 C 13 22.595 0.001 . 2 . . . . A 119 VAL CG2 . 36771 1 1004 . 1 . 1 100 100 VAL N N 15 121.116 0.006 . 1 . . . . A 119 VAL N . 36771 1 1005 . 1 . 1 101 101 ASN H H 1 8.641 0.006 . 1 . . . . A 120 ASN H . 36771 1 1006 . 1 . 1 101 101 ASN HA H 1 4.220 0.014 . 1 . . . . A 120 ASN HA . 36771 1 1007 . 1 . 1 101 101 ASN HB2 H 1 3.011 0.007 . 2 . . . . A 120 ASN HB2 . 36771 1 1008 . 1 . 1 101 101 ASN HB3 H 1 2.257 0.013 . 2 . . . . A 120 ASN HB3 . 36771 1 1009 . 1 . 1 101 101 ASN HD21 H 1 8.264 0.005 . 1 . . . . A 120 ASN HD21 . 36771 1 1010 . 1 . 1 101 101 ASN HD22 H 1 6.643 0.015 . 1 . . . . A 120 ASN HD22 . 36771 1 1011 . 1 . 1 101 101 ASN C C 13 176.637 0.002 . 1 . . . . A 120 ASN C . 36771 1 1012 . 1 . 1 101 101 ASN CA C 13 55.805 0.035 . 1 . . . . A 120 ASN CA . 36771 1 1013 . 1 . 1 101 101 ASN CB C 13 36.451 0.034 . 1 . . . . A 120 ASN CB . 36771 1 1014 . 1 . 1 101 101 ASN N N 15 119.485 0.022 . 1 . . . . A 120 ASN N . 36771 1 1015 . 1 . 1 101 101 ASN ND2 N 15 110.250 0.007 . 1 . . . . A 120 ASN ND2 . 36771 1 1016 . 1 . 1 102 102 PHE H H 1 8.564 0.004 . 1 . . . . A 121 PHE H . 36771 1 1017 . 1 . 1 102 102 PHE HA H 1 3.987 0.010 . 1 . . . . A 121 PHE HA . 36771 1 1018 . 1 . 1 102 102 PHE HB2 H 1 2.933 0.009 . 2 . . . . A 121 PHE HB2 . 36771 1 1019 . 1 . 1 102 102 PHE HB3 H 1 2.933 0.009 . 2 . . . . A 121 PHE HB3 . 36771 1 1020 . 1 . 1 102 102 PHE C C 13 178.503 0.002 . 1 . . . . A 121 PHE C . 36771 1 1021 . 1 . 1 102 102 PHE CA C 13 62.023 0.039 . 1 . . . . A 121 PHE CA . 36771 1 1022 . 1 . 1 102 102 PHE CB C 13 39.756 0.022 . 1 . . . . A 121 PHE CB . 36771 1 1023 . 1 . 1 102 102 PHE N N 15 122.167 0.005 . 1 . . . . A 121 PHE N . 36771 1 1024 . 1 . 1 103 103 MET H H 1 8.420 0.003 . 1 . . . . A 122 MET H . 36771 1 1025 . 1 . 1 103 103 MET HA H 1 3.281 0.003 . 1 . . . . A 122 MET HA . 36771 1 1026 . 1 . 1 103 103 MET HB2 H 1 1.490 0.009 . 2 . . . . A 122 MET HB2 . 36771 1 1027 . 1 . 1 103 103 MET HB3 H 1 2.134 0.005 . 2 . . . . A 122 MET HB3 . 36771 1 1028 . 1 . 1 103 103 MET HG2 H 1 2.410 0.005 . 2 . . . . A 122 MET HG2 . 36771 1 1029 . 1 . 1 103 103 MET HG3 H 1 2.410 0.005 . 2 . . . . A 122 MET HG3 . 36771 1 1030 . 1 . 1 103 103 MET C C 13 175.900 0.002 . 1 . . . . A 122 MET C . 36771 1 1031 . 1 . 1 103 103 MET CA C 13 60.349 0.028 . 1 . . . . A 122 MET CA . 36771 1 1032 . 1 . 1 103 103 MET CB C 13 34.292 0.019 . 1 . . . . A 122 MET CB . 36771 1 1033 . 1 . 1 103 103 MET CG C 13 31.647 0.001 . 1 . . . . A 122 MET CG . 36771 1 1034 . 1 . 1 103 103 MET N N 15 118.850 0.018 . 1 . . . . A 122 MET N . 36771 1 1035 . 1 . 1 104 104 ARG H H 1 8.489 0.003 . 1 . . . . A 123 ARG H . 36771 1 1036 . 1 . 1 104 104 ARG HA H 1 3.715 0.007 . 1 . . . . A 123 ARG HA . 36771 1 1037 . 1 . 1 104 104 ARG HB2 H 1 1.945 0.012 . 2 . . . . A 123 ARG HB2 . 36771 1 1038 . 1 . 1 104 104 ARG HB3 H 1 1.785 0.014 . 2 . . . . A 123 ARG HB3 . 36771 1 1039 . 1 . 1 104 104 ARG HG2 H 1 1.734 0.008 . 2 . . . . A 123 ARG HG2 . 36771 1 1040 . 1 . 1 104 104 ARG HG3 H 1 1.734 0.008 . 2 . . . . A 123 ARG HG3 . 36771 1 1041 . 1 . 1 104 104 ARG HD2 H 1 3.165 0.020 . 2 . . . . A 123 ARG HD2 . 36771 1 1042 . 1 . 1 104 104 ARG HD3 H 1 3.112 0.019 . 2 . . . . A 123 ARG HD3 . 36771 1 1043 . 1 . 1 104 104 ARG C C 13 177.999 0.002 . 1 . . . . A 123 ARG C . 36771 1 1044 . 1 . 1 104 104 ARG CA C 13 58.711 0.019 . 1 . . . . A 123 ARG CA . 36771 1 1045 . 1 . 1 104 104 ARG CB C 13 28.902 0.001 . 1 . . . . A 123 ARG CB . 36771 1 1046 . 1 . 1 104 104 ARG CG C 13 26.445 0.034 . 1 . . . . A 123 ARG CG . 36771 1 1047 . 1 . 1 104 104 ARG CD C 13 42.182 0.085 . 1 . . . . A 123 ARG CD . 36771 1 1048 . 1 . 1 104 104 ARG N N 15 117.306 0.008 . 1 . . . . A 123 ARG N . 36771 1 1049 . 1 . 1 105 105 ASP H H 1 7.767 0.003 . 1 . . . . A 124 ASP H . 36771 1 1050 . 1 . 1 105 105 ASP HA H 1 4.246 0.005 . 1 . . . . A 124 ASP HA . 36771 1 1051 . 1 . 1 105 105 ASP HB2 H 1 2.558 0.011 . 2 . . . . A 124 ASP HB2 . 36771 1 1052 . 1 . 1 105 105 ASP HB3 H 1 2.530 0.015 . 2 . . . . A 124 ASP HB3 . 36771 1 1053 . 1 . 1 105 105 ASP C C 13 178.569 0.002 . 1 . . . . A 124 ASP C . 36771 1 1054 . 1 . 1 105 105 ASP CA C 13 57.901 0.002 . 1 . . . . A 124 ASP CA . 36771 1 1055 . 1 . 1 105 105 ASP CB C 13 44.091 0.010 . 1 . . . . A 124 ASP CB . 36771 1 1056 . 1 . 1 105 105 ASP N N 15 119.282 0.014 . 1 . . . . A 124 ASP N . 36771 1 1057 . 1 . 1 106 106 ARG H H 1 7.890 0.004 . 1 . . . . A 125 ARG H . 36771 1 1058 . 1 . 1 106 106 ARG HA H 1 3.988 0.010 . 1 . . . . A 125 ARG HA . 36771 1 1059 . 1 . 1 106 106 ARG HB2 H 1 1.614 0.007 . 2 . . . . A 125 ARG HB2 . 36771 1 1060 . 1 . 1 106 106 ARG HB3 H 1 1.472 0.014 . 2 . . . . A 125 ARG HB3 . 36771 1 1061 . 1 . 1 106 106 ARG HG2 H 1 0.853 0.003 . 2 . . . . A 125 ARG HG2 . 36771 1 1062 . 1 . 1 106 106 ARG HG3 H 1 0.945 0.003 . 2 . . . . A 125 ARG HG3 . 36771 1 1063 . 1 . 1 106 106 ARG HD2 H 1 2.983 0.001 . 2 . . . . A 125 ARG HD2 . 36771 1 1064 . 1 . 1 106 106 ARG HD3 H 1 2.919 0.002 . 2 . . . . A 125 ARG HD3 . 36771 1 1065 . 1 . 1 106 106 ARG C C 13 178.735 0.002 . 1 . . . . A 125 ARG C . 36771 1 1066 . 1 . 1 106 106 ARG CA C 13 56.515 0.001 . 1 . . . . A 125 ARG CA . 36771 1 1067 . 1 . 1 106 106 ARG CB C 13 30.242 0.039 . 1 . . . . A 125 ARG CB . 36771 1 1068 . 1 . 1 106 106 ARG CG C 13 25.864 0.001 . 1 . . . . A 125 ARG CG . 36771 1 1069 . 1 . 1 106 106 ARG CD C 13 41.850 0.009 . 1 . . . . A 125 ARG CD . 36771 1 1070 . 1 . 1 106 106 ARG N N 15 115.990 0.019 . 1 . . . . A 125 ARG N . 36771 1 1071 . 1 . 1 107 107 ALA H H 1 8.245 0.005 . 1 . . . . A 126 ALA H . 36771 1 1072 . 1 . 1 107 107 ALA HA H 1 4.412 0.006 . 1 . . . . A 126 ALA HA . 36771 1 1073 . 1 . 1 107 107 ALA HB1 H 1 1.625 0.004 . 1 . . . . A 126 ALA HB1 . 36771 1 1074 . 1 . 1 107 107 ALA HB2 H 1 1.625 0.004 . 1 . . . . A 126 ALA HB2 . 36771 1 1075 . 1 . 1 107 107 ALA HB3 H 1 1.625 0.004 . 1 . . . . A 126 ALA HB3 . 36771 1 1076 . 1 . 1 107 107 ALA C C 13 178.816 0.002 . 1 . . . . A 126 ALA C . 36771 1 1077 . 1 . 1 107 107 ALA CA C 13 54.304 0.018 . 1 . . . . A 126 ALA CA . 36771 1 1078 . 1 . 1 107 107 ALA CB C 13 18.899 0.004 . 1 . . . . A 126 ALA CB . 36771 1 1079 . 1 . 1 107 107 ALA N N 15 121.045 0.043 . 1 . . . . A 126 ALA N . 36771 1 1080 . 1 . 1 108 108 GLN H H 1 7.916 0.009 . 1 . . . . A 127 GLN H . 36771 1 1081 . 1 . 1 108 108 GLN HA H 1 4.290 0.002 . 1 . . . . A 127 GLN HA . 36771 1 1082 . 1 . 1 108 108 GLN HB2 H 1 2.186 0.010 . 2 . . . . A 127 GLN HB2 . 36771 1 1083 . 1 . 1 108 108 GLN HB3 H 1 2.186 0.010 . 2 . . . . A 127 GLN HB3 . 36771 1 1084 . 1 . 1 108 108 GLN HG2 H 1 2.459 0.005 . 1 . . . . A 127 GLN HG2 . 36771 1 1085 . 1 . 1 108 108 GLN HG3 H 1 2.459 0.005 . 1 . . . . A 127 GLN HG3 . 36771 1 1086 . 1 . 1 108 108 GLN HE21 H 1 6.860 0.001 . 1 . . . . A 127 GLN HE21 . 36771 1 1087 . 1 . 1 108 108 GLN HE22 H 1 7.439 0.001 . 1 . . . . A 127 GLN HE22 . 36771 1 1088 . 1 . 1 108 108 GLN C C 13 178.749 0.002 . 1 . . . . A 127 GLN C . 36771 1 1089 . 1 . 1 108 108 GLN CA C 13 57.420 0.001 . 1 . . . . A 127 GLN CA . 36771 1 1090 . 1 . 1 108 108 GLN CB C 13 29.262 0.012 . 1 . . . . A 127 GLN CB . 36771 1 1091 . 1 . 1 108 108 GLN CG C 13 34.375 0.021 . 1 . . . . A 127 GLN CG . 36771 1 1092 . 1 . 1 108 108 GLN N N 15 117.071 0.012 . 1 . . . . A 127 GLN N . 36771 1 1093 . 1 . 1 108 108 GLN NE2 N 15 111.124 0.027 . 1 . . . . A 127 GLN NE2 . 36771 1 1094 . 1 . 1 109 109 GLY H H 1 8.150 0.001 . 1 . . . . A 128 GLY H . 36771 1 1095 . 1 . 1 109 109 GLY HA2 H 1 3.991 0.015 . 2 . . . . A 128 GLY HA2 . 36771 1 1096 . 1 . 1 109 109 GLY HA3 H 1 3.991 0.015 . 2 . . . . A 128 GLY HA3 . 36771 1 1097 . 1 . 1 109 109 GLY C C 13 177.707 0.002 . 1 . . . . A 128 GLY C . 36771 1 1098 . 1 . 1 109 109 GLY CA C 13 46.204 0.001 . 1 . . . . A 128 GLY CA . 36771 1 1099 . 1 . 1 109 109 GLY N N 15 108.021 0.011 . 1 . . . . A 128 GLY N . 36771 1 1100 . 1 . 1 110 110 ALA H H 1 7.911 0.007 . 1 . . . . A 129 ALA H . 36771 1 1101 . 1 . 1 110 110 ALA HA H 1 4.343 0.013 . 1 . . . . A 129 ALA HA . 36771 1 1102 . 1 . 1 110 110 ALA HB1 H 1 1.519 0.005 . 1 . . . . A 129 ALA HB1 . 36771 1 1103 . 1 . 1 110 110 ALA HB2 H 1 1.519 0.005 . 1 . . . . A 129 ALA HB2 . 36771 1 1104 . 1 . 1 110 110 ALA HB3 H 1 1.519 0.005 . 1 . . . . A 129 ALA HB3 . 36771 1 1105 . 1 . 1 110 110 ALA C C 13 175.086 0.002 . 1 . . . . A 129 ALA C . 36771 1 1106 . 1 . 1 110 110 ALA CA C 13 53.407 0.001 . 1 . . . . A 129 ALA CA . 36771 1 1107 . 1 . 1 110 110 ALA CB C 13 19.351 0.020 . 1 . . . . A 129 ALA CB . 36771 1 1108 . 1 . 1 110 110 ALA N N 15 123.414 0.009 . 1 . . . . A 129 ALA N . 36771 1 1109 . 1 . 1 111 111 ALA H H 1 7.995 0.001 . 1 . . . . A 130 ALA H . 36771 1 1110 . 1 . 1 111 111 ALA HA H 1 4.306 0.001 . 1 . . . . A 130 ALA HA . 36771 1 1111 . 1 . 1 111 111 ALA HB1 H 1 1.484 0.007 . 1 . . . . A 130 ALA HB1 . 36771 1 1112 . 1 . 1 111 111 ALA HB2 H 1 1.484 0.007 . 1 . . . . A 130 ALA HB2 . 36771 1 1113 . 1 . 1 111 111 ALA HB3 H 1 1.484 0.007 . 1 . . . . A 130 ALA HB3 . 36771 1 1114 . 1 . 1 111 111 ALA C C 13 178.452 0.002 . 1 . . . . A 130 ALA C . 36771 1 1115 . 1 . 1 111 111 ALA CA C 13 53.241 0.001 . 1 . . . . A 130 ALA CA . 36771 1 1116 . 1 . 1 111 111 ALA CB C 13 18.869 0.009 . 1 . . . . A 130 ALA CB . 36771 1 1117 . 1 . 1 111 111 ALA N N 15 121.670 0.002 . 1 . . . . A 130 ALA N . 36771 1 1118 . 1 . 1 112 112 LEU H H 1 8.005 0.002 . 1 . . . . A 131 LEU H . 36771 1 1119 . 1 . 1 112 112 LEU HA H 1 4.337 0.006 . 1 . . . . A 131 LEU HA . 36771 1 1120 . 1 . 1 112 112 LEU HB2 H 1 1.635 0.002 . 2 . . . . A 131 LEU HB2 . 36771 1 1121 . 1 . 1 112 112 LEU HB3 H 1 1.716 0.001 . 2 . . . . A 131 LEU HB3 . 36771 1 1122 . 1 . 1 112 112 LEU HG H 1 1.715 0.001 . 1 . . . . A 131 LEU HG . 36771 1 1123 . 1 . 1 112 112 LEU HD11 H 1 0.934 0.007 . 2 . . . . A 131 LEU HD11 . 36771 1 1124 . 1 . 1 112 112 LEU HD12 H 1 0.934 0.007 . 2 . . . . A 131 LEU HD12 . 36771 1 1125 . 1 . 1 112 112 LEU HD13 H 1 0.934 0.007 . 2 . . . . A 131 LEU HD13 . 36771 1 1126 . 1 . 1 112 112 LEU HD21 H 1 0.936 0.004 . 2 . . . . A 131 LEU HD21 . 36771 1 1127 . 1 . 1 112 112 LEU HD22 H 1 0.936 0.004 . 2 . . . . A 131 LEU HD22 . 36771 1 1128 . 1 . 1 112 112 LEU HD23 H 1 0.936 0.004 . 2 . . . . A 131 LEU HD23 . 36771 1 1129 . 1 . 1 112 112 LEU C C 13 176.247 0.002 . 1 . . . . A 131 LEU C . 36771 1 1130 . 1 . 1 112 112 LEU CA C 13 55.431 0.001 . 1 . . . . A 131 LEU CA . 36771 1 1131 . 1 . 1 112 112 LEU CB C 13 42.373 0.001 . 1 . . . . A 131 LEU CB . 36771 1 1132 . 1 . 1 112 112 LEU CG C 13 26.858 0.001 . 1 . . . . A 131 LEU CG . 36771 1 1133 . 1 . 1 112 112 LEU CD1 C 13 23.530 0.002 . 2 . . . . A 131 LEU CD1 . 36771 1 1134 . 1 . 1 112 112 LEU CD2 C 13 25.026 0.001 . 2 . . . . A 131 LEU CD2 . 36771 1 1135 . 1 . 1 112 112 LEU N N 15 120.074 0.030 . 1 . . . . A 131 LEU N . 36771 1 1136 . 1 . 1 113 113 ALA H H 1 8.078 0.001 . 1 . . . . A 132 ALA H . 36771 1 1137 . 1 . 1 113 113 ALA HA H 1 4.351 0.006 . 1 . . . . A 132 ALA HA . 36771 1 1138 . 1 . 1 113 113 ALA HB1 H 1 1.468 0.007 . 1 . . . . A 132 ALA HB1 . 36771 1 1139 . 1 . 1 113 113 ALA HB2 H 1 1.468 0.007 . 1 . . . . A 132 ALA HB2 . 36771 1 1140 . 1 . 1 113 113 ALA HB3 H 1 1.468 0.007 . 1 . . . . A 132 ALA HB3 . 36771 1 1141 . 1 . 1 113 113 ALA C C 13 177.670 0.002 . 1 . . . . A 132 ALA C . 36771 1 1142 . 1 . 1 113 113 ALA CA C 13 53.058 0.002 . 1 . . . . A 132 ALA CA . 36771 1 1143 . 1 . 1 113 113 ALA CB C 13 19.264 0.001 . 1 . . . . A 132 ALA CB . 36771 1 1144 . 1 . 1 113 113 ALA N N 15 123.650 0.001 . 1 . . . . A 132 ALA N . 36771 1 1145 . 1 . 1 114 114 GLY H H 1 8.298 0.001 . 1 . . . . A 133 GLY H . 36771 1 1146 . 1 . 1 114 114 GLY HA2 H 1 4.059 0.001 . 1 . . . . A 133 GLY HA2 . 36771 1 1147 . 1 . 1 114 114 GLY C C 13 178.462 0.002 . 1 . . . . A 133 GLY C . 36771 1 1148 . 1 . 1 114 114 GLY CA C 13 45.509 0.001 . 1 . . . . A 133 GLY CA . 36771 1 1149 . 1 . 1 114 114 GLY N N 15 107.491 0.020 . 1 . . . . A 133 GLY N . 36771 1 1150 . 1 . 1 115 115 THR H H 1 8.090 0.001 . 1 . . . . A 134 THR H . 36771 1 1151 . 1 . 1 115 115 THR HA H 1 4.403 0.001 . 1 . . . . A 134 THR HA . 36771 1 1152 . 1 . 1 115 115 THR HB H 1 4.322 0.001 . 1 . . . . A 134 THR HB . 36771 1 1153 . 1 . 1 115 115 THR HG21 H 1 1.228 0.001 . 1 . . . . A 134 THR HG21 . 36771 1 1154 . 1 . 1 115 115 THR HG22 H 1 1.228 0.001 . 1 . . . . A 134 THR HG22 . 36771 1 1155 . 1 . 1 115 115 THR HG23 H 1 1.228 0.001 . 1 . . . . A 134 THR HG23 . 36771 1 1156 . 1 . 1 115 115 THR C C 13 174.790 0.002 . 1 . . . . A 134 THR C . 36771 1 1157 . 1 . 1 115 115 THR CA C 13 61.697 0.014 . 1 . . . . A 134 THR CA . 36771 1 1158 . 1 . 1 115 115 THR CB C 13 69.947 0.001 . 1 . . . . A 134 THR CB . 36771 1 1159 . 1 . 1 115 115 THR CG2 C 13 21.639 0.001 . 1 . . . . A 134 THR CG2 . 36771 1 1160 . 1 . 1 115 115 THR N N 15 112.869 0.001 . 1 . . . . A 134 THR N . 36771 1 1161 . 1 . 1 116 116 ASN H H 1 8.146 0.002 . 1 . . . . A 135 ASN H . 36771 1 1162 . 1 . 1 116 116 ASN HA H 1 4.621 0.002 . 1 . . . . A 135 ASN HA . 36771 1 1163 . 1 . 1 116 116 ASN HB2 H 1 2.712 0.001 . 1 . . . . A 135 ASN HB2 . 36771 1 1164 . 1 . 1 116 116 ASN HD21 H 1 7.638 0.002 . 1 . . . . A 135 ASN HD21 . 36771 1 1165 . 1 . 1 116 116 ASN HD22 H 1 6.946 0.003 . 1 . . . . A 135 ASN HD22 . 36771 1 1166 . 1 . 1 116 116 ASN C C 13 173.759 0.002 . 1 . . . . A 135 ASN C . 36771 1 1167 . 1 . 1 116 116 ASN CA C 13 55.053 0.001 . 1 . . . . A 135 ASN CA . 36771 1 1168 . 1 . 1 116 116 ASN CB C 13 41.306 0.001 . 1 . . . . A 135 ASN CB . 36771 1 1169 . 1 . 1 116 116 ASN N N 15 126.031 0.039 . 1 . . . . A 135 ASN N . 36771 1 1170 . 1 . 1 116 116 ASN ND2 N 15 112.751 0.007 . 1 . . . . A 135 ASN ND2 . 36771 1 1171 . 1 . 1 117 117 GLY H H 1 8.444 0.001 . 1 . . . . A 136 GLY H . 36771 1 1172 . 1 . 1 117 117 GLY C C 13 175.787 0.002 . 1 . . . . A 136 GLY C . 36771 1 1173 . 1 . 1 117 117 GLY N N 15 109.133 0.018 . 1 . . . . A 136 GLY N . 36771 1 1174 . 2 . 2 1 1 HEC HAB H 1 -0.689 0.010 . 1 . . . . A 201 HEC HAB . 36771 1 1175 . 2 . 2 1 1 HEC HBB1 H 1 -1.911 0.003 . 1 . . . . A 201 HEC HBB1 . 36771 1 1176 . 2 . 2 1 1 HEC HBB2 H 1 -1.911 0.003 . 1 . . . . A 201 HEC HBB2 . 36771 1 1177 . 2 . 2 1 1 HEC HBB3 H 1 -1.911 0.003 . 1 . . . . A 201 HEC HBB3 . 36771 1 1178 . 2 . 2 1 1 HEC HBD1 H 1 1.198 0.002 . 1 . . . . A 201 HEC HBD1 . 36771 1 1179 . 2 . 2 1 1 HEC HMB1 H 1 13.229 0.002 . 1 . . . . A 201 HEC HMB1 . 36771 1 1180 . 2 . 2 1 1 HEC HMB2 H 1 13.229 0.002 . 1 . . . . A 201 HEC HMB2 . 36771 1 1181 . 2 . 2 1 1 HEC HMB3 H 1 13.229 0.002 . 1 . . . . A 201 HEC HMB3 . 36771 1 1182 . 2 . 2 1 1 HEC HMD1 H 1 10.618 0.001 . 1 . . . . A 201 HEC HMD1 . 36771 1 1183 . 2 . 2 1 1 HEC HMD2 H 1 10.618 0.001 . 1 . . . . A 201 HEC HMD2 . 36771 1 1184 . 2 . 2 1 1 HEC HMD3 H 1 10.618 0.001 . 1 . . . . A 201 HEC HMD3 . 36771 1 stop_ save_