################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25636 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25636 1 2 '2D 1H-13C HSQC aliphatic' . . . 25636 1 6 '3D C(CO)NH' . . . 25636 1 7 '3D HNCACB' . . . 25636 1 11 '2D 1H-1H TOCSY' . . . 25636 1 12 '2D 1H-1H NOESY' . . . 25636 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.386 0.010 . . . . . A 2 PRO HA . 25636 1 2 . 1 1 2 2 PRO HB2 H 1 1.810 0.016 . . . . . A 2 PRO HB2 . 25636 1 3 . 1 1 2 2 PRO HB3 H 1 2.220 0.002 . . . . . A 2 PRO HB3 . 25636 1 4 . 1 1 2 2 PRO HG2 H 1 1.958 0.011 . . . . . A 2 PRO HG2 . 25636 1 5 . 1 1 2 2 PRO HG3 H 1 1.958 0.011 . . . . . A 2 PRO HG3 . 25636 1 6 . 1 1 2 2 PRO HD2 H 1 3.745 0.001 . . . . . A 2 PRO HD2 . 25636 1 7 . 1 1 2 2 PRO HD3 H 1 3.574 0.013 . . . . . A 2 PRO HD3 . 25636 1 8 . 1 1 2 2 PRO CA C 13 62.756 0.000 . . . . . A 2 PRO CA . 25636 1 9 . 1 1 2 2 PRO CB C 13 32.034 0.000 . . . . . A 2 PRO CB . 25636 1 10 . 1 1 2 2 PRO CG C 13 27.303 0.000 . . . . . A 2 PRO CG . 25636 1 11 . 1 1 2 2 PRO CD C 13 50.477 0.000 . . . . . A 2 PRO CD . 25636 1 12 . 1 1 3 3 ALA H H 1 8.192 0.025 . . . . . A 3 ALA H . 25636 1 13 . 1 1 3 3 ALA HA H 1 4.306 0.008 . . . . . A 3 ALA HA . 25636 1 14 . 1 1 3 3 ALA HB1 H 1 1.365 0.003 . . . . . A 3 ALA HB1 . 25636 1 15 . 1 1 3 3 ALA HB2 H 1 1.365 0.003 . . . . . A 3 ALA HB2 . 25636 1 16 . 1 1 3 3 ALA HB3 H 1 1.365 0.003 . . . . . A 3 ALA HB3 . 25636 1 17 . 1 1 3 3 ALA CA C 13 52.756 0.000 . . . . . A 3 ALA CA . 25636 1 18 . 1 1 3 3 ALA CB C 13 19.935 0.000 . . . . . A 3 ALA CB . 25636 1 19 . 1 1 3 3 ALA N N 15 124.343 0.000 . . . . . A 3 ALA N . 25636 1 20 . 1 1 4 4 ARG H H 1 9.195 0.015 . . . . . A 4 ARG H . 25636 1 21 . 1 1 4 4 ARG HA H 1 4.323 0.014 . . . . . A 4 ARG HA . 25636 1 22 . 1 1 4 4 ARG HB2 H 1 1.639 0.017 . . . . . A 4 ARG HB2 . 25636 1 23 . 1 1 4 4 ARG HB3 H 1 1.356 0.004 . . . . . A 4 ARG HB3 . 25636 1 24 . 1 1 4 4 ARG HG2 H 1 1.565 0.001 . . . . . A 4 ARG HG2 . 25636 1 25 . 1 1 4 4 ARG HG3 H 1 1.431 0.001 . . . . . A 4 ARG HG3 . 25636 1 26 . 1 1 4 4 ARG HD2 H 1 3.118 0.000 . . . . . A 4 ARG HD2 . 25636 1 27 . 1 1 4 4 ARG HD3 H 1 2.974 0.005 . . . . . A 4 ARG HD3 . 25636 1 28 . 1 1 4 4 ARG CA C 13 56.231 0.000 . . . . . A 4 ARG CA . 25636 1 29 . 1 1 4 4 ARG CB C 13 33.629 0.000 . . . . . A 4 ARG CB . 25636 1 30 . 1 1 4 4 ARG CG C 13 27.458 0.000 . . . . . A 4 ARG CG . 25636 1 31 . 1 1 4 4 ARG CD C 13 43.384 0.000 . . . . . A 4 ARG CD . 25636 1 32 . 1 1 4 4 ARG N N 15 119.928 0.000 . . . . . A 4 ARG N . 25636 1 33 . 1 1 5 5 PHE H H 1 9.242 0.020 . . . . . A 5 PHE H . 25636 1 34 . 1 1 5 5 PHE HA H 1 5.321 0.016 . . . . . A 5 PHE HA . 25636 1 35 . 1 1 5 5 PHE HB2 H 1 3.144 0.000 . . . . . A 5 PHE HB2 . 25636 1 36 . 1 1 5 5 PHE HB3 H 1 3.016 0.000 . . . . . A 5 PHE HB3 . 25636 1 37 . 1 1 5 5 PHE HD1 H 1 7.117 0.000 . . . . . A 5 PHE HD1 . 25636 1 38 . 1 1 5 5 PHE HD2 H 1 7.117 0.000 . . . . . A 5 PHE HD2 . 25636 1 39 . 1 1 5 5 PHE HE1 H 1 6.908 0.000 . . . . . A 5 PHE HE1 . 25636 1 40 . 1 1 5 5 PHE HE2 H 1 6.908 0.000 . . . . . A 5 PHE HE2 . 25636 1 41 . 1 1 5 5 PHE CA C 13 56.914 0.000 . . . . . A 5 PHE CA . 25636 1 42 . 1 1 5 5 PHE CB C 13 43.554 0.000 . . . . . A 5 PHE CB . 25636 1 43 . 1 1 5 5 PHE N N 15 119.084 0.000 . . . . . A 5 PHE N . 25636 1 44 . 1 1 6 6 CYS H H 1 9.204 0.009 . . . . . A 6 CYS H . 25636 1 45 . 1 1 6 6 CYS HA H 1 5.281 0.005 . . . . . A 6 CYS HA . 25636 1 46 . 1 1 6 6 CYS HB2 H 1 2.463 0.000 . . . . . A 6 CYS HB2 . 25636 1 47 . 1 1 6 6 CYS HB3 H 1 2.224 0.000 . . . . . A 6 CYS HB3 . 25636 1 48 . 1 1 6 6 CYS CA C 13 54.262 0.000 . . . . . A 6 CYS CA . 25636 1 49 . 1 1 6 6 CYS CB C 13 39.730 0.000 . . . . . A 6 CYS CB . 25636 1 50 . 1 1 6 6 CYS N N 15 116.173 0.000 . . . . . A 6 CYS N . 25636 1 51 . 1 1 7 7 VAL H H 1 9.474 0.017 . . . . . A 7 VAL H . 25636 1 52 . 1 1 7 7 VAL HA H 1 4.314 0.013 . . . . . A 7 VAL HA . 25636 1 53 . 1 1 7 7 VAL HB H 1 1.679 0.010 . . . . . A 7 VAL HB . 25636 1 54 . 1 1 7 7 VAL HG11 H 1 0.256 0.002 . . . . . A 7 VAL HG11 . 25636 1 55 . 1 1 7 7 VAL HG12 H 1 0.256 0.002 . . . . . A 7 VAL HG12 . 25636 1 56 . 1 1 7 7 VAL HG13 H 1 0.256 0.002 . . . . . A 7 VAL HG13 . 25636 1 57 . 1 1 7 7 VAL HG21 H 1 0.097 0.020 . . . . . A 7 VAL HG21 . 25636 1 58 . 1 1 7 7 VAL HG22 H 1 0.097 0.020 . . . . . A 7 VAL HG22 . 25636 1 59 . 1 1 7 7 VAL HG23 H 1 0.097 0.020 . . . . . A 7 VAL HG23 . 25636 1 60 . 1 1 7 7 VAL CA C 13 60.665 0.000 . . . . . A 7 VAL CA . 25636 1 61 . 1 1 7 7 VAL CB C 13 32.359 0.000 . . . . . A 7 VAL CB . 25636 1 62 . 1 1 7 7 VAL CG1 C 13 22.292 0.000 . . . . . A 7 VAL CG1 . 25636 1 63 . 1 1 7 7 VAL CG2 C 13 20.794 0.000 . . . . . A 7 VAL CG2 . 25636 1 64 . 1 1 7 7 VAL N N 15 126.228 0.000 . . . . . A 7 VAL N . 25636 1 65 . 1 1 8 8 TYR H H 1 8.195 0.015 . . . . . A 8 TYR H . 25636 1 66 . 1 1 8 8 TYR HA H 1 5.120 0.002 . . . . . A 8 TYR HA . 25636 1 67 . 1 1 8 8 TYR HB2 H 1 2.615 0.012 . . . . . A 8 TYR HB2 . 25636 1 68 . 1 1 8 8 TYR HB3 H 1 2.615 0.012 . . . . . A 8 TYR HB3 . 25636 1 69 . 1 1 8 8 TYR HD1 H 1 6.784 0.000 . . . . . A 8 TYR HD1 . 25636 1 70 . 1 1 8 8 TYR HD2 H 1 6.784 0.000 . . . . . A 8 TYR HD2 . 25636 1 71 . 1 1 8 8 TYR HE1 H 1 6.354 0.000 . . . . . A 8 TYR HE1 . 25636 1 72 . 1 1 8 8 TYR HE2 H 1 6.354 0.000 . . . . . A 8 TYR HE2 . 25636 1 73 . 1 1 8 8 TYR CA C 13 57.174 0.000 . . . . . A 8 TYR CA . 25636 1 74 . 1 1 8 8 TYR CB C 13 40.918 0.000 . . . . . A 8 TYR CB . 25636 1 75 . 1 1 8 8 TYR N N 15 123.478 0.000 . . . . . A 8 TYR N . 25636 1 76 . 1 1 9 9 TYR H H 1 9.410 0.011 . . . . . A 9 TYR H . 25636 1 77 . 1 1 9 9 TYR HA H 1 5.209 0.012 . . . . . A 9 TYR HA . 25636 1 78 . 1 1 9 9 TYR HB2 H 1 2.655 0.011 . . . . . A 9 TYR HB2 . 25636 1 79 . 1 1 9 9 TYR HB3 H 1 2.496 0.016 . . . . . A 9 TYR HB3 . 25636 1 80 . 1 1 9 9 TYR HD1 H 1 6.491 0.000 . . . . . A 9 TYR HD1 . 25636 1 81 . 1 1 9 9 TYR HD2 H 1 6.491 0.000 . . . . . A 9 TYR HD2 . 25636 1 82 . 1 1 9 9 TYR HE1 H 1 6.352 0.000 . . . . . A 9 TYR HE1 . 25636 1 83 . 1 1 9 9 TYR HE2 H 1 6.352 0.000 . . . . . A 9 TYR HE2 . 25636 1 84 . 1 1 9 9 TYR CA C 13 56.930 0.000 . . . . . A 9 TYR CA . 25636 1 85 . 1 1 9 9 TYR CB C 13 44.026 0.000 . . . . . A 9 TYR CB . 25636 1 86 . 1 1 9 9 TYR N N 15 119.745 0.000 . . . . . A 9 TYR N . 25636 1 87 . 1 1 10 10 ASP H H 1 8.948 0.009 . . . . . A 10 ASP H . 25636 1 88 . 1 1 10 10 ASP HA H 1 5.203 0.005 . . . . . A 10 ASP HA . 25636 1 89 . 1 1 10 10 ASP HB2 H 1 2.982 0.007 . . . . . A 10 ASP HB2 . 25636 1 90 . 1 1 10 10 ASP HB3 H 1 2.502 0.004 . . . . . A 10 ASP HB3 . 25636 1 91 . 1 1 10 10 ASP CA C 13 52.879 0.000 . . . . . A 10 ASP CA . 25636 1 92 . 1 1 10 10 ASP CB C 13 41.522 0.000 . . . . . A 10 ASP CB . 25636 1 93 . 1 1 10 10 ASP N N 15 118.515 0.000 . . . . . A 10 ASP N . 25636 1 94 . 1 1 11 11 GLY H H 1 9.014 0.003 . . . . . A 11 GLY H . 25636 1 95 . 1 1 11 11 GLY HA2 H 1 4.748 0.003 . . . . . A 11 GLY HA2 . 25636 1 96 . 1 1 11 11 GLY HA3 H 1 3.692 0.025 . . . . . A 11 GLY HA3 . 25636 1 97 . 1 1 11 11 GLY CA C 13 44.213 0.000 . . . . . A 11 GLY CA . 25636 1 98 . 1 1 11 11 GLY N N 15 114.853 0.000 . . . . . A 11 GLY N . 25636 1 99 . 1 1 12 12 HIS H H 1 8.133 0.017 . . . . . A 12 HIS H . 25636 1 100 . 1 1 12 12 HIS HA H 1 4.415 0.019 . . . . . A 12 HIS HA . 25636 1 101 . 1 1 12 12 HIS HB2 H 1 3.210 0.006 . . . . . A 12 HIS HB2 . 25636 1 102 . 1 1 12 12 HIS HB3 H 1 2.811 0.018 . . . . . A 12 HIS HB3 . 25636 1 103 . 1 1 12 12 HIS HD2 H 1 7.152 0.000 . . . . . A 12 HIS HD2 . 25636 1 104 . 1 1 12 12 HIS HE1 H 1 8.174 0.000 . . . . . A 12 HIS HE1 . 25636 1 105 . 1 1 12 12 HIS CA C 13 56.572 0.000 . . . . . A 12 HIS CA . 25636 1 106 . 1 1 12 12 HIS CB C 13 32.017 0.000 . . . . . A 12 HIS CB . 25636 1 107 . 1 1 12 12 HIS N N 15 114.423 0.000 . . . . . A 12 HIS N . 25636 1 108 . 1 1 13 13 LEU H H 1 8.385 0.052 . . . . . A 13 LEU H . 25636 1 109 . 1 1 13 13 LEU HA H 1 4.777 0.003 . . . . . A 13 LEU HA . 25636 1 110 . 1 1 13 13 LEU HB2 H 1 1.698 0.012 . . . . . A 13 LEU HB2 . 25636 1 111 . 1 1 13 13 LEU HB3 H 1 1.698 0.012 . . . . . A 13 LEU HB3 . 25636 1 112 . 1 1 13 13 LEU HG H 1 1.540 0.011 . . . . . A 13 LEU HG . 25636 1 113 . 1 1 13 13 LEU HD11 H 1 0.911 0.011 . . . . . A 13 LEU HD11 . 25636 1 114 . 1 1 13 13 LEU HD12 H 1 0.911 0.011 . . . . . A 13 LEU HD12 . 25636 1 115 . 1 1 13 13 LEU HD13 H 1 0.911 0.011 . . . . . A 13 LEU HD13 . 25636 1 116 . 1 1 13 13 LEU HD21 H 1 0.865 0.010 . . . . . A 13 LEU HD21 . 25636 1 117 . 1 1 13 13 LEU HD22 H 1 0.865 0.010 . . . . . A 13 LEU HD22 . 25636 1 118 . 1 1 13 13 LEU HD23 H 1 0.865 0.010 . . . . . A 13 LEU HD23 . 25636 1 119 . 1 1 13 13 LEU CA C 13 52.049 0.000 . . . . . A 13 LEU CA . 25636 1 120 . 1 1 13 13 LEU CB C 13 41.569 0.000 . . . . . A 13 LEU CB . 25636 1 121 . 1 1 13 13 LEU CG C 13 26.821 0.000 . . . . . A 13 LEU CG . 25636 1 122 . 1 1 13 13 LEU CD1 C 13 24.960 0.000 . . . . . A 13 LEU CD1 . 25636 1 123 . 1 1 13 13 LEU CD2 C 13 23.786 0.000 . . . . . A 13 LEU CD2 . 25636 1 124 . 1 1 13 13 LEU N N 15 123.763 0.000 . . . . . A 13 LEU N . 25636 1 125 . 1 1 14 14 PRO HA H 1 3.707 0.015 . . . . . A 14 PRO HA . 25636 1 126 . 1 1 14 14 PRO HB2 H 1 1.869 0.016 . . . . . A 14 PRO HB2 . 25636 1 127 . 1 1 14 14 PRO HB3 H 1 2.184 0.008 . . . . . A 14 PRO HB3 . 25636 1 128 . 1 1 14 14 PRO HG2 H 1 2.087 0.035 . . . . . A 14 PRO HG2 . 25636 1 129 . 1 1 14 14 PRO HG3 H 1 1.756 0.003 . . . . . A 14 PRO HG3 . 25636 1 130 . 1 1 14 14 PRO HD2 H 1 4.037 0.012 . . . . . A 14 PRO HD2 . 25636 1 131 . 1 1 14 14 PRO HD3 H 1 3.776 0.002 . . . . . A 14 PRO HD3 . 25636 1 132 . 1 1 14 14 PRO CA C 13 65.579 0.000 . . . . . A 14 PRO CA . 25636 1 133 . 1 1 14 14 PRO CB C 13 31.895 0.000 . . . . . A 14 PRO CB . 25636 1 134 . 1 1 14 14 PRO CG C 13 27.619 0.000 . . . . . A 14 PRO CG . 25636 1 135 . 1 1 14 14 PRO CD C 13 50.889 0.000 . . . . . A 14 PRO CD . 25636 1 136 . 1 1 15 15 ALA H H 1 8.162 0.031 . . . . . A 15 ALA H . 25636 1 137 . 1 1 15 15 ALA HA H 1 4.149 0.011 . . . . . A 15 ALA HA . 25636 1 138 . 1 1 15 15 ALA HB1 H 1 1.409 0.012 . . . . . A 15 ALA HB1 . 25636 1 139 . 1 1 15 15 ALA HB2 H 1 1.409 0.012 . . . . . A 15 ALA HB2 . 25636 1 140 . 1 1 15 15 ALA HB3 H 1 1.409 0.012 . . . . . A 15 ALA HB3 . 25636 1 141 . 1 1 15 15 ALA CA C 13 54.628 0.000 . . . . . A 15 ALA CA . 25636 1 142 . 1 1 15 15 ALA CB C 13 19.577 0.000 . . . . . A 15 ALA CB . 25636 1 143 . 1 1 15 15 ALA N N 15 115.114 0.000 . . . . . A 15 ALA N . 25636 1 144 . 1 1 16 16 THR H H 1 7.153 0.005 . . . . . A 16 THR H . 25636 1 145 . 1 1 16 16 THR HA H 1 4.553 0.005 . . . . . A 16 THR HA . 25636 1 146 . 1 1 16 16 THR HB H 1 4.366 0.002 . . . . . A 16 THR HB . 25636 1 147 . 1 1 16 16 THR HG21 H 1 1.050 0.007 . . . . . A 16 THR HG21 . 25636 1 148 . 1 1 16 16 THR HG22 H 1 1.050 0.007 . . . . . A 16 THR HG22 . 25636 1 149 . 1 1 16 16 THR HG23 H 1 1.050 0.007 . . . . . A 16 THR HG23 . 25636 1 150 . 1 1 16 16 THR CA C 13 60.331 0.000 . . . . . A 16 THR CA . 25636 1 151 . 1 1 16 16 THR CB C 13 70.574 0.000 . . . . . A 16 THR CB . 25636 1 152 . 1 1 16 16 THR CG2 C 13 22.140 0.000 . . . . . A 16 THR CG2 . 25636 1 153 . 1 1 16 16 THR N N 15 102.057 0.000 . . . . . A 16 THR N . 25636 1 154 . 1 1 17 17 ARG H H 1 7.901 0.025 . . . . . A 17 ARG H . 25636 1 155 . 1 1 17 17 ARG HA H 1 4.716 0.006 . . . . . A 17 ARG HA . 25636 1 156 . 1 1 17 17 ARG HB2 H 1 1.468 0.000 . . . . . A 17 ARG HB2 . 25636 1 157 . 1 1 17 17 ARG HB3 H 1 1.360 0.000 . . . . . A 17 ARG HB3 . 25636 1 158 . 1 1 17 17 ARG HG2 H 1 1.464 0.000 . . . . . A 17 ARG HG2 . 25636 1 159 . 1 1 17 17 ARG HG3 H 1 0.960 0.000 . . . . . A 17 ARG HG3 . 25636 1 160 . 1 1 17 17 ARG HD2 H 1 1.781 0.000 . . . . . A 17 ARG HD2 . 25636 1 161 . 1 1 17 17 ARG HD3 H 1 1.697 0.000 . . . . . A 17 ARG HD3 . 25636 1 162 . 1 1 17 17 ARG CA C 13 56.296 0.000 . . . . . A 17 ARG CA . 25636 1 163 . 1 1 17 17 ARG CB C 13 30.021 0.000 . . . . . A 17 ARG CB . 25636 1 164 . 1 1 17 17 ARG N N 15 122.509 0.000 . . . . . A 17 ARG N . 25636 1 165 . 1 1 18 18 VAL H H 1 8.568 0.014 . . . . . A 18 VAL H . 25636 1 166 . 1 1 18 18 VAL HA H 1 4.293 0.007 . . . . . A 18 VAL HA . 25636 1 167 . 1 1 18 18 VAL HB H 1 2.076 0.008 . . . . . A 18 VAL HB . 25636 1 168 . 1 1 18 18 VAL HG11 H 1 0.993 0.052 . . . . . A 18 VAL HG11 . 25636 1 169 . 1 1 18 18 VAL HG12 H 1 0.993 0.052 . . . . . A 18 VAL HG12 . 25636 1 170 . 1 1 18 18 VAL HG13 H 1 0.993 0.052 . . . . . A 18 VAL HG13 . 25636 1 171 . 1 1 18 18 VAL HG21 H 1 0.992 0.075 . . . . . A 18 VAL HG21 . 25636 1 172 . 1 1 18 18 VAL HG22 H 1 0.992 0.075 . . . . . A 18 VAL HG22 . 25636 1 173 . 1 1 18 18 VAL HG23 H 1 0.992 0.075 . . . . . A 18 VAL HG23 . 25636 1 174 . 1 1 18 18 VAL CA C 13 61.462 0.000 . . . . . A 18 VAL CA . 25636 1 175 . 1 1 18 18 VAL CB C 13 35.247 0.000 . . . . . A 18 VAL CB . 25636 1 176 . 1 1 18 18 VAL CG1 C 13 20.879 0.000 . . . . . A 18 VAL CG1 . 25636 1 177 . 1 1 18 18 VAL CG2 C 13 20.908 0.000 . . . . . A 18 VAL CG2 . 25636 1 178 . 1 1 18 18 VAL N N 15 122.027 0.000 . . . . . A 18 VAL N . 25636 1 179 . 1 1 19 19 LEU H H 1 8.670 0.036 . . . . . A 19 LEU H . 25636 1 180 . 1 1 19 19 LEU HA H 1 3.718 0.012 . . . . . A 19 LEU HA . 25636 1 181 . 1 1 19 19 LEU HB2 H 1 1.609 0.000 . . . . . A 19 LEU HB2 . 25636 1 182 . 1 1 19 19 LEU HB3 H 1 1.489 0.000 . . . . . A 19 LEU HB3 . 25636 1 183 . 1 1 19 19 LEU HG H 1 0.868 0.012 . . . . . A 19 LEU HG . 25636 1 184 . 1 1 19 19 LEU HD11 H 1 0.563 0.010 . . . . . A 19 LEU HD11 . 25636 1 185 . 1 1 19 19 LEU HD12 H 1 0.563 0.010 . . . . . A 19 LEU HD12 . 25636 1 186 . 1 1 19 19 LEU HD13 H 1 0.563 0.010 . . . . . A 19 LEU HD13 . 25636 1 187 . 1 1 19 19 LEU HD21 H 1 0.418 0.021 . . . . . A 19 LEU HD21 . 25636 1 188 . 1 1 19 19 LEU HD22 H 1 0.418 0.021 . . . . . A 19 LEU HD22 . 25636 1 189 . 1 1 19 19 LEU HD23 H 1 0.418 0.021 . . . . . A 19 LEU HD23 . 25636 1 190 . 1 1 19 19 LEU CA C 13 57.467 0.000 . . . . . A 19 LEU CA . 25636 1 191 . 1 1 19 19 LEU CB C 13 41.862 0.000 . . . . . A 19 LEU CB . 25636 1 192 . 1 1 19 19 LEU CG C 13 27.774 0.000 . . . . . A 19 LEU CG . 25636 1 193 . 1 1 19 19 LEU CD1 C 13 24.639 0.000 . . . . . A 19 LEU CD1 . 25636 1 194 . 1 1 19 19 LEU CD2 C 13 25.281 0.000 . . . . . A 19 LEU CD2 . 25636 1 195 . 1 1 19 19 LEU N N 15 130.327 0.000 . . . . . A 19 LEU N . 25636 1 196 . 1 1 20 20 LEU H H 1 9.236 0.020 . . . . . A 20 LEU H . 25636 1 197 . 1 1 20 20 LEU HA H 1 4.588 0.003 . . . . . A 20 LEU HA . 25636 1 198 . 1 1 20 20 LEU HB2 H 1 1.531 0.007 . . . . . A 20 LEU HB2 . 25636 1 199 . 1 1 20 20 LEU HB3 H 1 1.382 0.009 . . . . . A 20 LEU HB3 . 25636 1 200 . 1 1 20 20 LEU HG H 1 1.847 0.012 . . . . . A 20 LEU HG . 25636 1 201 . 1 1 20 20 LEU HD11 H 1 0.978 0.001 . . . . . A 20 LEU HD11 . 25636 1 202 . 1 1 20 20 LEU HD12 H 1 0.978 0.001 . . . . . A 20 LEU HD12 . 25636 1 203 . 1 1 20 20 LEU HD13 H 1 0.978 0.001 . . . . . A 20 LEU HD13 . 25636 1 204 . 1 1 20 20 LEU HD21 H 1 0.809 0.010 . . . . . A 20 LEU HD21 . 25636 1 205 . 1 1 20 20 LEU HD22 H 1 0.809 0.010 . . . . . A 20 LEU HD22 . 25636 1 206 . 1 1 20 20 LEU HD23 H 1 0.809 0.010 . . . . . A 20 LEU HD23 . 25636 1 207 . 1 1 20 20 LEU CA C 13 55.873 0.000 . . . . . A 20 LEU CA . 25636 1 208 . 1 1 20 20 LEU CB C 13 42.513 0.000 . . . . . A 20 LEU CB . 25636 1 209 . 1 1 20 20 LEU CG C 13 26.445 0.000 . . . . . A 20 LEU CG . 25636 1 210 . 1 1 20 20 LEU CD1 C 13 21.751 0.000 . . . . . A 20 LEU CD1 . 25636 1 211 . 1 1 20 20 LEU CD2 C 13 27.270 0.000 . . . . . A 20 LEU CD2 . 25636 1 212 . 1 1 20 20 LEU N N 15 126.389 0.000 . . . . . A 20 LEU N . 25636 1 213 . 1 1 21 21 MET H H 1 7.022 0.005 . . . . . A 21 MET H . 25636 1 214 . 1 1 21 21 MET HA H 1 4.423 0.009 . . . . . A 21 MET HA . 25636 1 215 . 1 1 21 21 MET HB2 H 1 2.066 0.005 . . . . . A 21 MET HB2 . 25636 1 216 . 1 1 21 21 MET HB3 H 1 1.693 0.018 . . . . . A 21 MET HB3 . 25636 1 217 . 1 1 21 21 MET HG2 H 1 2.454 0.015 . . . . . A 21 MET HG2 . 25636 1 218 . 1 1 21 21 MET HG3 H 1 2.454 0.015 . . . . . A 21 MET HG3 . 25636 1 219 . 1 1 21 21 MET CA C 13 56.214 0.000 . . . . . A 21 MET CA . 25636 1 220 . 1 1 21 21 MET CB C 13 36.964 0.000 . . . . . A 21 MET CB . 25636 1 221 . 1 1 21 21 MET CG C 13 31.822 0.000 . . . . . A 21 MET CG . 25636 1 222 . 1 1 21 21 MET N N 15 114.450 0.000 . . . . . A 21 MET N . 25636 1 223 . 1 1 22 22 TYR H H 1 8.515 0.032 . . . . . A 22 TYR H . 25636 1 224 . 1 1 22 22 TYR HA H 1 4.777 0.010 . . . . . A 22 TYR HA . 25636 1 225 . 1 1 22 22 TYR HB2 H 1 2.777 0.001 . . . . . A 22 TYR HB2 . 25636 1 226 . 1 1 22 22 TYR HB3 H 1 2.194 0.004 . . . . . A 22 TYR HB3 . 25636 1 227 . 1 1 22 22 TYR HD1 H 1 6.481 0.000 . . . . . A 22 TYR HD1 . 25636 1 228 . 1 1 22 22 TYR HD2 H 1 6.481 0.000 . . . . . A 22 TYR HD2 . 25636 1 229 . 1 1 22 22 TYR HE1 H 1 6.048 0.000 . . . . . A 22 TYR HE1 . 25636 1 230 . 1 1 22 22 TYR HE2 H 1 6.048 0.000 . . . . . A 22 TYR HE2 . 25636 1 231 . 1 1 22 22 TYR CA C 13 57.988 0.000 . . . . . A 22 TYR CA . 25636 1 232 . 1 1 22 22 TYR CB C 13 39.356 0.000 . . . . . A 22 TYR CB . 25636 1 233 . 1 1 22 22 TYR N N 15 123.123 0.000 . . . . . A 22 TYR N . 25636 1 234 . 1 1 23 23 VAL H H 1 9.417 0.012 . . . . . A 23 VAL H . 25636 1 235 . 1 1 23 23 VAL HA H 1 4.371 0.004 . . . . . A 23 VAL HA . 25636 1 236 . 1 1 23 23 VAL HB H 1 2.165 0.002 . . . . . A 23 VAL HB . 25636 1 237 . 1 1 23 23 VAL HG11 H 1 0.776 0.016 . . . . . A 23 VAL HG11 . 25636 1 238 . 1 1 23 23 VAL HG12 H 1 0.776 0.016 . . . . . A 23 VAL HG12 . 25636 1 239 . 1 1 23 23 VAL HG13 H 1 0.776 0.016 . . . . . A 23 VAL HG13 . 25636 1 240 . 1 1 23 23 VAL HG21 H 1 0.625 0.011 . . . . . A 23 VAL HG21 . 25636 1 241 . 1 1 23 23 VAL HG22 H 1 0.625 0.011 . . . . . A 23 VAL HG22 . 25636 1 242 . 1 1 23 23 VAL HG23 H 1 0.625 0.011 . . . . . A 23 VAL HG23 . 25636 1 243 . 1 1 23 23 VAL CA C 13 61.503 0.000 . . . . . A 23 VAL CA . 25636 1 244 . 1 1 23 23 VAL CB C 13 35.418 0.000 . . . . . A 23 VAL CB . 25636 1 245 . 1 1 23 23 VAL CG1 C 13 21.774 0.000 . . . . . A 23 VAL CG1 . 25636 1 246 . 1 1 23 23 VAL CG2 C 13 22.229 0.000 . . . . . A 23 VAL CG2 . 25636 1 247 . 1 1 23 23 VAL N N 15 123.811 0.000 . . . . . A 23 VAL N . 25636 1 248 . 1 1 24 24 ARG H H 1 8.892 0.013 . . . . . A 24 ARG H . 25636 1 249 . 1 1 24 24 ARG HA H 1 3.885 0.032 . . . . . A 24 ARG HA . 25636 1 250 . 1 1 24 24 ARG HB2 H 1 1.653 0.021 . . . . . A 24 ARG HB2 . 25636 1 251 . 1 1 24 24 ARG HB3 H 1 1.653 0.021 . . . . . A 24 ARG HB3 . 25636 1 252 . 1 1 24 24 ARG HG2 H 1 1.466 0.025 . . . . . A 24 ARG HG2 . 25636 1 253 . 1 1 24 24 ARG HG3 H 1 1.466 0.025 . . . . . A 24 ARG HG3 . 25636 1 254 . 1 1 24 24 ARG HD2 H 1 2.867 0.039 . . . . . A 24 ARG HD2 . 25636 1 255 . 1 1 24 24 ARG HD3 H 1 2.867 0.039 . . . . . A 24 ARG HD3 . 25636 1 256 . 1 1 24 24 ARG CA C 13 56.784 0.000 . . . . . A 24 ARG CA . 25636 1 257 . 1 1 24 24 ARG CB C 13 30.178 0.000 . . . . . A 24 ARG CB . 25636 1 258 . 1 1 24 24 ARG CG C 13 26.968 0.000 . . . . . A 24 ARG CG . 25636 1 259 . 1 1 24 24 ARG CD C 13 42.871 0.000 . . . . . A 24 ARG CD . 25636 1 260 . 1 1 24 24 ARG N N 15 129.194 0.000 . . . . . A 24 ARG N . 25636 1 261 . 1 1 25 25 ILE H H 1 8.312 0.009 . . . . . A 25 ILE H . 25636 1 262 . 1 1 25 25 ILE HA H 1 3.655 0.011 . . . . . A 25 ILE HA . 25636 1 263 . 1 1 25 25 ILE HB H 1 1.248 0.013 . . . . . A 25 ILE HB . 25636 1 264 . 1 1 25 25 ILE HG12 H 1 1.277 0.007 . . . . . A 25 ILE HG12 . 25636 1 265 . 1 1 25 25 ILE HG13 H 1 0.750 0.017 . . . . . A 25 ILE HG13 . 25636 1 266 . 1 1 25 25 ILE HG21 H 1 0.577 0.011 . . . . . A 25 ILE HG21 . 25636 1 267 . 1 1 25 25 ILE HG22 H 1 0.577 0.011 . . . . . A 25 ILE HG22 . 25636 1 268 . 1 1 25 25 ILE HG23 H 1 0.577 0.011 . . . . . A 25 ILE HG23 . 25636 1 269 . 1 1 25 25 ILE HD11 H 1 0.413 0.018 . . . . . A 25 ILE HD11 . 25636 1 270 . 1 1 25 25 ILE HD12 H 1 0.413 0.018 . . . . . A 25 ILE HD12 . 25636 1 271 . 1 1 25 25 ILE HD13 H 1 0.413 0.018 . . . . . A 25 ILE HD13 . 25636 1 272 . 1 1 25 25 ILE CA C 13 64.879 0.000 . . . . . A 25 ILE CA . 25636 1 273 . 1 1 25 25 ILE CB C 13 37.154 0.000 . . . . . A 25 ILE CB . 25636 1 274 . 1 1 25 25 ILE CG1 C 13 30.959 0.000 . . . . . A 25 ILE CG1 . 25636 1 275 . 1 1 25 25 ILE CG2 C 13 16.925 0.000 . . . . . A 25 ILE CG2 . 25636 1 276 . 1 1 25 25 ILE CD1 C 13 13.459 0.000 . . . . . A 25 ILE CD1 . 25636 1 277 . 1 1 25 25 ILE N N 15 128.158 0.000 . . . . . A 25 ILE N . 25636 1 278 . 1 1 26 26 GLY H H 1 9.389 0.007 . . . . . A 26 GLY H . 25636 1 279 . 1 1 26 26 GLY HA2 H 1 4.363 0.017 . . . . . A 26 GLY HA2 . 25636 1 280 . 1 1 26 26 GLY HA3 H 1 3.820 0.008 . . . . . A 26 GLY HA3 . 25636 1 281 . 1 1 26 26 GLY CA C 13 44.352 0.000 . . . . . A 26 GLY CA . 25636 1 282 . 1 1 26 26 GLY N N 15 115.464 0.000 . . . . . A 26 GLY N . 25636 1 283 . 1 1 27 27 THR H H 1 7.877 0.002 . . . . . A 27 THR H . 25636 1 284 . 1 1 27 27 THR HA H 1 4.926 0.007 . . . . . A 27 THR HA . 25636 1 285 . 1 1 27 27 THR HB H 1 4.373 0.011 . . . . . A 27 THR HB . 25636 1 286 . 1 1 27 27 THR HG21 H 1 1.047 0.015 . . . . . A 27 THR HG21 . 25636 1 287 . 1 1 27 27 THR HG22 H 1 1.047 0.015 . . . . . A 27 THR HG22 . 25636 1 288 . 1 1 27 27 THR HG23 H 1 1.047 0.015 . . . . . A 27 THR HG23 . 25636 1 289 . 1 1 27 27 THR CA C 13 60.299 0.000 . . . . . A 27 THR CA . 25636 1 290 . 1 1 27 27 THR CB C 13 72.194 0.000 . . . . . A 27 THR CB . 25636 1 291 . 1 1 27 27 THR CG2 C 13 21.619 0.000 . . . . . A 27 THR CG2 . 25636 1 292 . 1 1 27 27 THR N N 15 111.341 0.000 . . . . . A 27 THR N . 25636 1 293 . 1 1 28 28 THR H H 1 7.732 0.022 . . . . . A 28 THR H . 25636 1 294 . 1 1 28 28 THR HA H 1 5.353 0.009 . . . . . A 28 THR HA . 25636 1 295 . 1 1 28 28 THR HB H 1 3.982 0.012 . . . . . A 28 THR HB . 25636 1 296 . 1 1 28 28 THR HG21 H 1 1.017 0.008 . . . . . A 28 THR HG21 . 25636 1 297 . 1 1 28 28 THR HG22 H 1 1.017 0.008 . . . . . A 28 THR HG22 . 25636 1 298 . 1 1 28 28 THR HG23 H 1 1.017 0.008 . . . . . A 28 THR HG23 . 25636 1 299 . 1 1 28 28 THR CA C 13 59.143 0.000 . . . . . A 28 THR CA . 25636 1 300 . 1 1 28 28 THR CB C 13 71.706 0.000 . . . . . A 28 THR CB . 25636 1 301 . 1 1 28 28 THR CG2 C 13 21.603 0.000 . . . . . A 28 THR CG2 . 25636 1 302 . 1 1 28 28 THR N N 15 108.952 0.000 . . . . . A 28 THR N . 25636 1 303 . 1 1 29 29 ALA H H 1 8.634 0.009 . . . . . A 29 ALA H . 25636 1 304 . 1 1 29 29 ALA HA H 1 4.621 0.011 . . . . . A 29 ALA HA . 25636 1 305 . 1 1 29 29 ALA HB1 H 1 1.260 0.005 . . . . . A 29 ALA HB1 . 25636 1 306 . 1 1 29 29 ALA HB2 H 1 1.260 0.005 . . . . . A 29 ALA HB2 . 25636 1 307 . 1 1 29 29 ALA HB3 H 1 1.260 0.005 . . . . . A 29 ALA HB3 . 25636 1 308 . 1 1 29 29 ALA CA C 13 51.796 0.000 . . . . . A 29 ALA CA . 25636 1 309 . 1 1 29 29 ALA CB C 13 24.556 0.000 . . . . . A 29 ALA CB . 25636 1 310 . 1 1 29 29 ALA N N 15 122.383 0.000 . . . . . A 29 ALA N . 25636 1 311 . 1 1 30 30 THR H H 1 8.317 0.033 . . . . . A 30 THR H . 25636 1 312 . 1 1 30 30 THR HA H 1 4.885 0.007 . . . . . A 30 THR HA . 25636 1 313 . 1 1 30 30 THR HB H 1 3.873 0.005 . . . . . A 30 THR HB . 25636 1 314 . 1 1 30 30 THR HG21 H 1 0.966 0.023 . . . . . A 30 THR HG21 . 25636 1 315 . 1 1 30 30 THR HG22 H 1 0.966 0.023 . . . . . A 30 THR HG22 . 25636 1 316 . 1 1 30 30 THR HG23 H 1 0.966 0.023 . . . . . A 30 THR HG23 . 25636 1 317 . 1 1 30 30 THR CA C 13 62.300 0.000 . . . . . A 30 THR CA . 25636 1 318 . 1 1 30 30 THR CB C 13 69.265 0.000 . . . . . A 30 THR CB . 25636 1 319 . 1 1 30 30 THR CG2 C 13 21.717 0.000 . . . . . A 30 THR CG2 . 25636 1 320 . 1 1 30 30 THR N N 15 115.881 0.000 . . . . . A 30 THR N . 25636 1 321 . 1 1 31 31 ILE H H 1 9.166 0.017 . . . . . A 31 ILE H . 25636 1 322 . 1 1 31 31 ILE HA H 1 4.388 0.000 . . . . . A 31 ILE HA . 25636 1 323 . 1 1 31 31 ILE HB H 1 1.704 0.005 . . . . . A 31 ILE HB . 25636 1 324 . 1 1 31 31 ILE HG12 H 1 1.311 0.000 . . . . . A 31 ILE HG12 . 25636 1 325 . 1 1 31 31 ILE HG13 H 1 0.971 0.000 . . . . . A 31 ILE HG13 . 25636 1 326 . 1 1 31 31 ILE HG21 H 1 0.682 0.008 . . . . . A 31 ILE HG21 . 25636 1 327 . 1 1 31 31 ILE HG22 H 1 0.682 0.008 . . . . . A 31 ILE HG22 . 25636 1 328 . 1 1 31 31 ILE HG23 H 1 0.682 0.008 . . . . . A 31 ILE HG23 . 25636 1 329 . 1 1 31 31 ILE HD11 H 1 0.330 0.008 . . . . . A 31 ILE HD11 . 25636 1 330 . 1 1 31 31 ILE HD12 H 1 0.330 0.008 . . . . . A 31 ILE HD12 . 25636 1 331 . 1 1 31 31 ILE HD13 H 1 0.330 0.008 . . . . . A 31 ILE HD13 . 25636 1 332 . 1 1 31 31 ILE CA C 13 59.562 0.000 . . . . . A 31 ILE CA . 25636 1 333 . 1 1 31 31 ILE CB C 13 40.634 0.000 . . . . . A 31 ILE CB . 25636 1 334 . 1 1 31 31 ILE CG1 C 13 27.108 0.000 . . . . . A 31 ILE CG1 . 25636 1 335 . 1 1 31 31 ILE CG2 C 13 18.219 0.000 . . . . . A 31 ILE CG2 . 25636 1 336 . 1 1 31 31 ILE CD1 C 13 14.126 0.000 . . . . . A 31 ILE CD1 . 25636 1 337 . 1 1 31 31 ILE N N 15 126.005 0.000 . . . . . A 31 ILE N . 25636 1 338 . 1 1 32 32 THR H H 1 8.441 0.042 . . . . . A 32 THR H . 25636 1 339 . 1 1 32 32 THR HA H 1 5.300 0.003 . . . . . A 32 THR HA . 25636 1 340 . 1 1 32 32 THR HB H 1 3.933 0.013 . . . . . A 32 THR HB . 25636 1 341 . 1 1 32 32 THR HG21 H 1 1.030 0.003 . . . . . A 32 THR HG21 . 25636 1 342 . 1 1 32 32 THR HG22 H 1 1.030 0.003 . . . . . A 32 THR HG22 . 25636 1 343 . 1 1 32 32 THR HG23 H 1 1.030 0.003 . . . . . A 32 THR HG23 . 25636 1 344 . 1 1 32 32 THR CA C 13 60.885 0.000 . . . . . A 32 THR CA . 25636 1 345 . 1 1 32 32 THR CB C 13 69.867 0.000 . . . . . A 32 THR CB . 25636 1 346 . 1 1 32 32 THR CG2 C 13 20.740 0.000 . . . . . A 32 THR CG2 . 25636 1 347 . 1 1 32 32 THR N N 15 120.162 0.000 . . . . . A 32 THR N . 25636 1 348 . 1 1 33 33 ALA H H 1 9.130 0.036 . . . . . A 33 ALA H . 25636 1 349 . 1 1 33 33 ALA HA H 1 4.644 0.002 . . . . . A 33 ALA HA . 25636 1 350 . 1 1 33 33 ALA HB1 H 1 1.627 0.004 . . . . . A 33 ALA HB1 . 25636 1 351 . 1 1 33 33 ALA HB2 H 1 1.627 0.004 . . . . . A 33 ALA HB2 . 25636 1 352 . 1 1 33 33 ALA HB3 H 1 1.627 0.004 . . . . . A 33 ALA HB3 . 25636 1 353 . 1 1 33 33 ALA CA C 13 51.975 0.000 . . . . . A 33 ALA CA . 25636 1 354 . 1 1 33 33 ALA CB C 13 22.897 0.000 . . . . . A 33 ALA CB . 25636 1 355 . 1 1 33 33 ALA N N 15 127.525 0.000 . . . . . A 33 ALA N . 25636 1 356 . 1 1 34 34 ARG H H 1 9.232 0.026 . . . . . A 34 ARG H . 25636 1 357 . 1 1 34 34 ARG HA H 1 3.814 0.001 . . . . . A 34 ARG HA . 25636 1 358 . 1 1 34 34 ARG HB2 H 1 2.015 0.000 . . . . . A 34 ARG HB2 . 25636 1 359 . 1 1 34 34 ARG HB3 H 1 1.672 0.000 . . . . . A 34 ARG HB3 . 25636 1 360 . 1 1 34 34 ARG HG2 H 1 1.095 0.003 . . . . . A 34 ARG HG2 . 25636 1 361 . 1 1 34 34 ARG HG3 H 1 0.778 0.001 . . . . . A 34 ARG HG3 . 25636 1 362 . 1 1 34 34 ARG HD2 H 1 2.502 0.006 . . . . . A 34 ARG HD2 . 25636 1 363 . 1 1 34 34 ARG HD3 H 1 1.758 0.001 . . . . . A 34 ARG HD3 . 25636 1 364 . 1 1 34 34 ARG HE H 1 6.919 0.000 . . . . . A 34 ARG HE . 25636 1 365 . 1 1 34 34 ARG CA C 13 57.028 0.000 . . . . . A 34 ARG CA . 25636 1 366 . 1 1 34 34 ARG CB C 13 27.337 0.000 . . . . . A 34 ARG CB . 25636 1 367 . 1 1 34 34 ARG CG C 13 26.527 0.000 . . . . . A 34 ARG CG . 25636 1 368 . 1 1 34 34 ARG CD C 13 43.437 0.000 . . . . . A 34 ARG CD . 25636 1 369 . 1 1 34 34 ARG N N 15 118.330 0.000 . . . . . A 34 ARG N . 25636 1 370 . 1 1 35 35 GLY H H 1 8.642 0.032 . . . . . A 35 GLY H . 25636 1 371 . 1 1 35 35 GLY HA2 H 1 3.942 0.009 . . . . . A 35 GLY HA2 . 25636 1 372 . 1 1 35 35 GLY HA3 H 1 3.493 0.006 . . . . . A 35 GLY HA3 . 25636 1 373 . 1 1 35 35 GLY CA C 13 45.368 0.000 . . . . . A 35 GLY CA . 25636 1 374 . 1 1 35 35 GLY N N 15 104.002 0.000 . . . . . A 35 GLY N . 25636 1 375 . 1 1 36 36 HIS H H 1 8.188 0.002 . . . . . A 36 HIS H . 25636 1 376 . 1 1 36 36 HIS HA H 1 4.703 0.001 . . . . . A 36 HIS HA . 25636 1 377 . 1 1 36 36 HIS HB2 H 1 3.057 0.000 . . . . . A 36 HIS HB2 . 25636 1 378 . 1 1 36 36 HIS HB3 H 1 2.757 0.000 . . . . . A 36 HIS HB3 . 25636 1 379 . 1 1 36 36 HIS HD2 H 1 7.008 0.000 . . . . . A 36 HIS HD2 . 25636 1 380 . 1 1 36 36 HIS HE1 H 1 8.238 0.000 . . . . . A 36 HIS HE1 . 25636 1 381 . 1 1 36 36 HIS CA C 13 54.376 0.000 . . . . . A 36 HIS CA . 25636 1 382 . 1 1 36 36 HIS CB C 13 32.880 0.000 . . . . . A 36 HIS CB . 25636 1 383 . 1 1 36 36 HIS N N 15 119.875 0.000 . . . . . A 36 HIS N . 25636 1 384 . 1 1 37 37 GLU H H 1 7.991 0.024 . . . . . A 37 GLU H . 25636 1 385 . 1 1 37 37 GLU HA H 1 5.018 0.003 . . . . . A 37 GLU HA . 25636 1 386 . 1 1 37 37 GLU HB2 H 1 1.700 0.009 . . . . . A 37 GLU HB2 . 25636 1 387 . 1 1 37 37 GLU HB3 H 1 1.606 0.014 . . . . . A 37 GLU HB3 . 25636 1 388 . 1 1 37 37 GLU HG2 H 1 2.049 0.000 . . . . . A 37 GLU HG2 . 25636 1 389 . 1 1 37 37 GLU HG3 H 1 1.987 0.000 . . . . . A 37 GLU HG3 . 25636 1 390 . 1 1 37 37 GLU CA C 13 55.092 0.000 . . . . . A 37 GLU CA . 25636 1 391 . 1 1 37 37 GLU CB C 13 31.863 0.000 . . . . . A 37 GLU CB . 25636 1 392 . 1 1 37 37 GLU CG C 13 36.775 0.000 . . . . . A 37 GLU CG . 25636 1 393 . 1 1 37 37 GLU N N 15 119.578 0.000 . . . . . A 37 GLU N . 25636 1 394 . 1 1 38 38 PHE H H 1 9.149 0.025 . . . . . A 38 PHE H . 25636 1 395 . 1 1 38 38 PHE HA H 1 4.755 0.004 . . . . . A 38 PHE HA . 25636 1 396 . 1 1 38 38 PHE HB2 H 1 2.694 0.017 . . . . . A 38 PHE HB2 . 25636 1 397 . 1 1 38 38 PHE HB3 H 1 2.583 0.009 . . . . . A 38 PHE HB3 . 25636 1 398 . 1 1 38 38 PHE HD1 H 1 7.059 0.000 . . . . . A 38 PHE HD1 . 25636 1 399 . 1 1 38 38 PHE HD2 H 1 7.059 0.000 . . . . . A 38 PHE HD2 . 25636 1 400 . 1 1 38 38 PHE HE1 H 1 7.394 0.000 . . . . . A 38 PHE HE1 . 25636 1 401 . 1 1 38 38 PHE HE2 H 1 7.394 0.000 . . . . . A 38 PHE HE2 . 25636 1 402 . 1 1 38 38 PHE HZ H 1 7.223 0.000 . . . . . A 38 PHE HZ . 25636 1 403 . 1 1 38 38 PHE CA C 13 56.442 0.000 . . . . . A 38 PHE CA . 25636 1 404 . 1 1 38 38 PHE CB C 13 41.569 0.000 . . . . . A 38 PHE CB . 25636 1 405 . 1 1 38 38 PHE N N 15 121.593 0.000 . . . . . A 38 PHE N . 25636 1 406 . 1 1 39 39 GLU H H 1 8.539 0.020 . . . . . A 39 GLU H . 25636 1 407 . 1 1 39 39 GLU HA H 1 5.186 0.002 . . . . . A 39 GLU HA . 25636 1 408 . 1 1 39 39 GLU HB2 H 1 2.159 0.009 . . . . . A 39 GLU HB2 . 25636 1 409 . 1 1 39 39 GLU HB3 H 1 1.696 0.004 . . . . . A 39 GLU HB3 . 25636 1 410 . 1 1 39 39 GLU HG2 H 1 1.966 0.013 . . . . . A 39 GLU HG2 . 25636 1 411 . 1 1 39 39 GLU HG3 H 1 1.966 0.013 . . . . . A 39 GLU HG3 . 25636 1 412 . 1 1 39 39 GLU CA C 13 55.531 0.000 . . . . . A 39 GLU CA . 25636 1 413 . 1 1 39 39 GLU CB C 13 30.309 0.000 . . . . . A 39 GLU CB . 25636 1 414 . 1 1 39 39 GLU CG C 13 37.322 0.000 . . . . . A 39 GLU CG . 25636 1 415 . 1 1 39 39 GLU N N 15 125.332 0.000 . . . . . A 39 GLU N . 25636 1 416 . 1 1 40 40 VAL H H 1 8.773 0.012 . . . . . A 40 VAL H . 25636 1 417 . 1 1 40 40 VAL HA H 1 5.396 0.001 . . . . . A 40 VAL HA . 25636 1 418 . 1 1 40 40 VAL HB H 1 1.952 0.002 . . . . . A 40 VAL HB . 25636 1 419 . 1 1 40 40 VAL HG11 H 1 0.502 0.010 . . . . . A 40 VAL HG11 . 25636 1 420 . 1 1 40 40 VAL HG12 H 1 0.502 0.010 . . . . . A 40 VAL HG12 . 25636 1 421 . 1 1 40 40 VAL HG13 H 1 0.502 0.010 . . . . . A 40 VAL HG13 . 25636 1 422 . 1 1 40 40 VAL HG21 H 1 0.239 0.012 . . . . . A 40 VAL HG21 . 25636 1 423 . 1 1 40 40 VAL HG22 H 1 0.239 0.012 . . . . . A 40 VAL HG22 . 25636 1 424 . 1 1 40 40 VAL HG23 H 1 0.239 0.012 . . . . . A 40 VAL HG23 . 25636 1 425 . 1 1 40 40 VAL CA C 13 58.517 0.000 . . . . . A 40 VAL CA . 25636 1 426 . 1 1 40 40 VAL CB C 13 34.287 0.000 . . . . . A 40 VAL CB . 25636 1 427 . 1 1 40 40 VAL CG1 C 13 20.830 0.000 . . . . . A 40 VAL CG1 . 25636 1 428 . 1 1 40 40 VAL CG2 C 13 17.087 0.000 . . . . . A 40 VAL CG2 . 25636 1 429 . 1 1 40 40 VAL N N 15 120.623 0.000 . . . . . A 40 VAL N . 25636 1 430 . 1 1 41 41 GLU H H 1 7.973 0.006 . . . . . A 41 GLU H . 25636 1 431 . 1 1 41 41 GLU HA H 1 4.553 0.009 . . . . . A 41 GLU HA . 25636 1 432 . 1 1 41 41 GLU HB2 H 1 1.794 0.003 . . . . . A 41 GLU HB2 . 25636 1 433 . 1 1 41 41 GLU HB3 H 1 1.554 0.008 . . . . . A 41 GLU HB3 . 25636 1 434 . 1 1 41 41 GLU HG2 H 1 1.906 0.000 . . . . . A 41 GLU HG2 . 25636 1 435 . 1 1 41 41 GLU HG3 H 1 1.568 0.000 . . . . . A 41 GLU HG3 . 25636 1 436 . 1 1 41 41 GLU CA C 13 54.359 0.000 . . . . . A 41 GLU CA . 25636 1 437 . 1 1 41 41 GLU CB C 13 32.408 0.000 . . . . . A 41 GLU CB . 25636 1 438 . 1 1 41 41 GLU CG C 13 35.507 0.000 . . . . . A 41 GLU CG . 25636 1 439 . 1 1 41 41 GLU N N 15 118.742 0.000 . . . . . A 41 GLU N . 25636 1 440 . 1 1 42 42 ALA H H 1 8.181 0.003 . . . . . A 42 ALA H . 25636 1 441 . 1 1 42 42 ALA HA H 1 4.662 0.029 . . . . . A 42 ALA HA . 25636 1 442 . 1 1 42 42 ALA HB1 H 1 1.332 0.012 . . . . . A 42 ALA HB1 . 25636 1 443 . 1 1 42 42 ALA HB2 H 1 1.332 0.012 . . . . . A 42 ALA HB2 . 25636 1 444 . 1 1 42 42 ALA HB3 H 1 1.332 0.012 . . . . . A 42 ALA HB3 . 25636 1 445 . 1 1 42 42 ALA CA C 13 50.446 0.000 . . . . . A 42 ALA CA . 25636 1 446 . 1 1 42 42 ALA CB C 13 18.015 0.000 . . . . . A 42 ALA CB . 25636 1 447 . 1 1 42 42 ALA N N 15 132.540 0.000 . . . . . A 42 ALA N . 25636 1 448 . 1 1 43 43 LYS H H 1 9.029 0.027 . . . . . A 43 LYS H . 25636 1 449 . 1 1 43 43 LYS HA H 1 3.955 0.015 . . . . . A 43 LYS HA . 25636 1 450 . 1 1 43 43 LYS HB2 H 1 1.692 0.013 . . . . . A 43 LYS HB2 . 25636 1 451 . 1 1 43 43 LYS HB3 H 1 1.577 0.006 . . . . . A 43 LYS HB3 . 25636 1 452 . 1 1 43 43 LYS HG2 H 1 1.371 0.001 . . . . . A 43 LYS HG2 . 25636 1 453 . 1 1 43 43 LYS HG3 H 1 1.225 0.022 . . . . . A 43 LYS HG3 . 25636 1 454 . 1 1 43 43 LYS HD2 H 1 1.560 0.008 . . . . . A 43 LYS HD2 . 25636 1 455 . 1 1 43 43 LYS HD3 H 1 1.560 0.008 . . . . . A 43 LYS HD3 . 25636 1 456 . 1 1 43 43 LYS HE2 H 1 2.879 0.014 . . . . . A 43 LYS HE2 . 25636 1 457 . 1 1 43 43 LYS HE3 H 1 2.879 0.014 . . . . . A 43 LYS HE3 . 25636 1 458 . 1 1 43 43 LYS CA C 13 59.648 0.000 . . . . . A 43 LYS CA . 25636 1 459 . 1 1 43 43 LYS CB C 13 34.670 0.000 . . . . . A 43 LYS CB . 25636 1 460 . 1 1 43 43 LYS CG C 13 25.027 0.000 . . . . . A 43 LYS CG . 25636 1 461 . 1 1 43 43 LYS CD C 13 29.031 0.000 . . . . . A 43 LYS CD . 25636 1 462 . 1 1 43 43 LYS CE C 13 41.878 0.000 . . . . . A 43 LYS CE . 25636 1 463 . 1 1 43 43 LYS N N 15 125.936 0.000 . . . . . A 43 LYS N . 25636 1 464 . 1 1 44 44 ASP H H 1 7.463 0.005 . . . . . A 44 ASP H . 25636 1 465 . 1 1 44 44 ASP HA H 1 4.338 0.009 . . . . . A 44 ASP HA . 25636 1 466 . 1 1 44 44 ASP HB2 H 1 2.958 0.003 . . . . . A 44 ASP HB2 . 25636 1 467 . 1 1 44 44 ASP HB3 H 1 2.958 0.003 . . . . . A 44 ASP HB3 . 25636 1 468 . 1 1 44 44 ASP CA C 13 53.074 0.000 . . . . . A 44 ASP CA . 25636 1 469 . 1 1 44 44 ASP CB C 13 41.337 0.000 . . . . . A 44 ASP CB . 25636 1 470 . 1 1 44 44 ASP N N 15 110.443 0.000 . . . . . A 44 ASP N . 25636 1 471 . 1 1 45 45 GLN H H 1 8.370 0.016 . . . . . A 45 GLN H . 25636 1 472 . 1 1 45 45 GLN HA H 1 4.064 0.007 . . . . . A 45 GLN HA . 25636 1 473 . 1 1 45 45 GLN HB2 H 1 2.149 0.025 . . . . . A 45 GLN HB2 . 25636 1 474 . 1 1 45 45 GLN HB3 H 1 2.056 0.003 . . . . . A 45 GLN HB3 . 25636 1 475 . 1 1 45 45 GLN HG2 H 1 2.295 0.014 . . . . . A 45 GLN HG2 . 25636 1 476 . 1 1 45 45 GLN HG3 H 1 2.295 0.014 . . . . . A 45 GLN HG3 . 25636 1 477 . 1 1 45 45 GLN HE21 H 1 6.950 0.000 . . . . . A 45 GLN HE21 . 25636 1 478 . 1 1 45 45 GLN HE22 H 1 7.540 0.000 . . . . . A 45 GLN HE22 . 25636 1 479 . 1 1 45 45 GLN CA C 13 57.663 0.000 . . . . . A 45 GLN CA . 25636 1 480 . 1 1 45 45 GLN CB C 13 28.047 0.000 . . . . . A 45 GLN CB . 25636 1 481 . 1 1 45 45 GLN CG C 13 33.162 0.000 . . . . . A 45 GLN CG . 25636 1 482 . 1 1 45 45 GLN N N 15 112.575 0.000 . . . . . A 45 GLN N . 25636 1 483 . 1 1 46 46 ASN H H 1 8.704 0.002 . . . . . A 46 ASN H . 25636 1 484 . 1 1 46 46 ASN HA H 1 4.536 0.008 . . . . . A 46 ASN HA . 25636 1 485 . 1 1 46 46 ASN HB2 H 1 2.973 0.000 . . . . . A 46 ASN HB2 . 25636 1 486 . 1 1 46 46 ASN HB3 H 1 2.603 0.000 . . . . . A 46 ASN HB3 . 25636 1 487 . 1 1 46 46 ASN HD21 H 1 7.587 0.000 . . . . . A 46 ASN HD21 . 25636 1 488 . 1 1 46 46 ASN HD22 H 1 7.042 0.000 . . . . . A 46 ASN HD22 . 25636 1 489 . 1 1 46 46 ASN CA C 13 55.271 0.000 . . . . . A 46 ASN CA . 25636 1 490 . 1 1 46 46 ASN CB C 13 38.046 0.000 . . . . . A 46 ASN CB . 25636 1 491 . 1 1 46 46 ASN N N 15 117.659 0.000 . . . . . A 46 ASN N . 25636 1 492 . 1 1 47 47 CYS H H 1 8.486 0.017 . . . . . A 47 CYS H . 25636 1 493 . 1 1 47 47 CYS HA H 1 4.397 0.004 . . . . . A 47 CYS HA . 25636 1 494 . 1 1 47 47 CYS HB2 H 1 2.742 0.001 . . . . . A 47 CYS HB2 . 25636 1 495 . 1 1 47 47 CYS HB3 H 1 2.219 0.016 . . . . . A 47 CYS HB3 . 25636 1 496 . 1 1 47 47 CYS CA C 13 55.075 0.000 . . . . . A 47 CYS CA . 25636 1 497 . 1 1 47 47 CYS CB C 13 36.199 0.000 . . . . . A 47 CYS CB . 25636 1 498 . 1 1 47 47 CYS N N 15 112.520 0.000 . . . . . A 47 CYS N . 25636 1 499 . 1 1 48 48 LYS H H 1 7.970 0.015 . . . . . A 48 LYS H . 25636 1 500 . 1 1 48 48 LYS HA H 1 4.130 0.011 . . . . . A 48 LYS HA . 25636 1 501 . 1 1 48 48 LYS HB2 H 1 1.620 0.002 . . . . . A 48 LYS HB2 . 25636 1 502 . 1 1 48 48 LYS HB3 H 1 1.620 0.002 . . . . . A 48 LYS HB3 . 25636 1 503 . 1 1 48 48 LYS HG2 H 1 1.478 0.004 . . . . . A 48 LYS HG2 . 25636 1 504 . 1 1 48 48 LYS HG3 H 1 1.342 0.014 . . . . . A 48 LYS HG3 . 25636 1 505 . 1 1 48 48 LYS HD2 H 1 1.635 0.005 . . . . . A 48 LYS HD2 . 25636 1 506 . 1 1 48 48 LYS HD3 H 1 1.635 0.005 . . . . . A 48 LYS HD3 . 25636 1 507 . 1 1 48 48 LYS HE2 H 1 2.955 0.004 . . . . . A 48 LYS HE2 . 25636 1 508 . 1 1 48 48 LYS HE3 H 1 2.955 0.004 . . . . . A 48 LYS HE3 . 25636 1 509 . 1 1 48 48 LYS CA C 13 56.865 0.000 . . . . . A 48 LYS CA . 25636 1 510 . 1 1 48 48 LYS CB C 13 32.180 0.000 . . . . . A 48 LYS CB . 25636 1 511 . 1 1 48 48 LYS CG C 13 25.291 0.000 . . . . . A 48 LYS CG . 25636 1 512 . 1 1 48 48 LYS CD C 13 28.698 0.000 . . . . . A 48 LYS CD . 25636 1 513 . 1 1 48 48 LYS CE C 13 42.253 0.000 . . . . . A 48 LYS CE . 25636 1 514 . 1 1 48 48 LYS N N 15 116.117 0.000 . . . . . A 48 LYS N . 25636 1 515 . 1 1 49 49 VAL H H 1 8.951 0.036 . . . . . A 49 VAL H . 25636 1 516 . 1 1 49 49 VAL HA H 1 3.632 0.028 . . . . . A 49 VAL HA . 25636 1 517 . 1 1 49 49 VAL HB H 1 2.007 0.006 . . . . . A 49 VAL HB . 25636 1 518 . 1 1 49 49 VAL HG11 H 1 0.893 0.005 . . . . . A 49 VAL HG11 . 25636 1 519 . 1 1 49 49 VAL HG12 H 1 0.893 0.005 . . . . . A 49 VAL HG12 . 25636 1 520 . 1 1 49 49 VAL HG13 H 1 0.893 0.005 . . . . . A 49 VAL HG13 . 25636 1 521 . 1 1 49 49 VAL HG21 H 1 0.623 0.013 . . . . . A 49 VAL HG21 . 25636 1 522 . 1 1 49 49 VAL HG22 H 1 0.623 0.013 . . . . . A 49 VAL HG22 . 25636 1 523 . 1 1 49 49 VAL HG23 H 1 0.623 0.013 . . . . . A 49 VAL HG23 . 25636 1 524 . 1 1 49 49 VAL CA C 13 64.782 0.000 . . . . . A 49 VAL CA . 25636 1 525 . 1 1 49 49 VAL CB C 13 30.317 0.000 . . . . . A 49 VAL CB . 25636 1 526 . 1 1 49 49 VAL CG1 C 13 21.497 0.000 . . . . . A 49 VAL CG1 . 25636 1 527 . 1 1 49 49 VAL CG2 C 13 22.213 0.000 . . . . . A 49 VAL CG2 . 25636 1 528 . 1 1 49 49 VAL N N 15 126.872 0.000 . . . . . A 49 VAL N . 25636 1 529 . 1 1 50 50 ILE H H 1 8.666 0.028 . . . . . A 50 ILE H . 25636 1 530 . 1 1 50 50 ILE HA H 1 4.135 0.010 . . . . . A 50 ILE HA . 25636 1 531 . 1 1 50 50 ILE HB H 1 2.018 0.015 . . . . . A 50 ILE HB . 25636 1 532 . 1 1 50 50 ILE HG12 H 1 1.320 0.005 . . . . . A 50 ILE HG12 . 25636 1 533 . 1 1 50 50 ILE HG13 H 1 0.882 0.000 . . . . . A 50 ILE HG13 . 25636 1 534 . 1 1 50 50 ILE HG21 H 1 0.808 0.009 . . . . . A 50 ILE HG21 . 25636 1 535 . 1 1 50 50 ILE HG22 H 1 0.808 0.009 . . . . . A 50 ILE HG22 . 25636 1 536 . 1 1 50 50 ILE HG23 H 1 0.808 0.009 . . . . . A 50 ILE HG23 . 25636 1 537 . 1 1 50 50 ILE HD11 H 1 0.838 0.000 . . . . . A 50 ILE HD11 . 25636 1 538 . 1 1 50 50 ILE HD12 H 1 0.838 0.000 . . . . . A 50 ILE HD12 . 25636 1 539 . 1 1 50 50 ILE HD13 H 1 0.838 0.000 . . . . . A 50 ILE HD13 . 25636 1 540 . 1 1 50 50 ILE CA C 13 60.535 0.000 . . . . . A 50 ILE CA . 25636 1 541 . 1 1 50 50 ILE CB C 13 41.659 0.000 . . . . . A 50 ILE CB . 25636 1 542 . 1 1 50 50 ILE CG1 C 13 26.872 0.000 . . . . . A 50 ILE CG1 . 25636 1 543 . 1 1 50 50 ILE CG2 C 13 17.494 0.000 . . . . . A 50 ILE CG2 . 25636 1 544 . 1 1 50 50 ILE CD1 C 13 14.142 0.000 . . . . . A 50 ILE CD1 . 25636 1 545 . 1 1 50 50 ILE N N 15 132.487 0.000 . . . . . A 50 ILE N . 25636 1 546 . 1 1 51 51 LEU H H 1 8.789 0.032 . . . . . A 51 LEU H . 25636 1 547 . 1 1 51 51 LEU HA H 1 5.250 0.010 . . . . . A 51 LEU HA . 25636 1 548 . 1 1 51 51 LEU HB2 H 1 2.000 0.004 . . . . . A 51 LEU HB2 . 25636 1 549 . 1 1 51 51 LEU HB3 H 1 1.728 0.019 . . . . . A 51 LEU HB3 . 25636 1 550 . 1 1 51 51 LEU HG H 1 1.595 0.009 . . . . . A 51 LEU HG . 25636 1 551 . 1 1 51 51 LEU HD11 H 1 0.798 0.005 . . . . . A 51 LEU HD11 . 25636 1 552 . 1 1 51 51 LEU HD12 H 1 0.798 0.005 . . . . . A 51 LEU HD12 . 25636 1 553 . 1 1 51 51 LEU HD13 H 1 0.798 0.005 . . . . . A 51 LEU HD13 . 25636 1 554 . 1 1 51 51 LEU HD21 H 1 0.730 0.002 . . . . . A 51 LEU HD21 . 25636 1 555 . 1 1 51 51 LEU HD22 H 1 0.730 0.002 . . . . . A 51 LEU HD22 . 25636 1 556 . 1 1 51 51 LEU HD23 H 1 0.730 0.002 . . . . . A 51 LEU HD23 . 25636 1 557 . 1 1 51 51 LEU CA C 13 53.245 0.000 . . . . . A 51 LEU CA . 25636 1 558 . 1 1 51 51 LEU CB C 13 41.146 0.000 . . . . . A 51 LEU CB . 25636 1 559 . 1 1 51 51 LEU CG C 13 28.120 0.000 . . . . . A 51 LEU CG . 25636 1 560 . 1 1 51 51 LEU CD1 C 13 25.803 0.000 . . . . . A 51 LEU CD1 . 25636 1 561 . 1 1 51 51 LEU CD2 C 13 23.942 0.000 . . . . . A 51 LEU CD2 . 25636 1 562 . 1 1 51 51 LEU N N 15 125.179 0.000 . . . . . A 51 LEU N . 25636 1 563 . 1 1 52 52 THR H H 1 8.528 0.023 . . . . . A 52 THR H . 25636 1 564 . 1 1 52 52 THR HA H 1 4.079 0.009 . . . . . A 52 THR HA . 25636 1 565 . 1 1 52 52 THR HB H 1 4.258 0.010 . . . . . A 52 THR HB . 25636 1 566 . 1 1 52 52 THR HG21 H 1 1.090 0.010 . . . . . A 52 THR HG21 . 25636 1 567 . 1 1 52 52 THR HG22 H 1 1.090 0.010 . . . . . A 52 THR HG22 . 25636 1 568 . 1 1 52 52 THR HG23 H 1 1.090 0.010 . . . . . A 52 THR HG23 . 25636 1 569 . 1 1 52 52 THR CA C 13 63.822 0.000 . . . . . A 52 THR CA . 25636 1 570 . 1 1 52 52 THR CB C 13 68.335 0.000 . . . . . A 52 THR CB . 25636 1 571 . 1 1 52 52 THR CG2 C 13 23.108 0.000 . . . . . A 52 THR CG2 . 25636 1 572 . 1 1 52 52 THR N N 15 115.511 0.000 . . . . . A 52 THR N . 25636 1 573 . 1 1 53 53 ASN H H 1 8.149 0.022 . . . . . A 53 ASN H . 25636 1 574 . 1 1 53 53 ASN HA H 1 4.514 0.016 . . . . . A 53 ASN HA . 25636 1 575 . 1 1 53 53 ASN HB2 H 1 3.153 0.000 . . . . . A 53 ASN HB2 . 25636 1 576 . 1 1 53 53 ASN HB3 H 1 2.888 0.000 . . . . . A 53 ASN HB3 . 25636 1 577 . 1 1 53 53 ASN HD21 H 1 7.271 0.000 . . . . . A 53 ASN HD21 . 25636 1 578 . 1 1 53 53 ASN HD22 H 1 6.641 0.000 . . . . . A 53 ASN HD22 . 25636 1 579 . 1 1 53 53 ASN CA C 13 52.740 0.000 . . . . . A 53 ASN CA . 25636 1 580 . 1 1 53 53 ASN CB C 13 37.314 0.000 . . . . . A 53 ASN CB . 25636 1 581 . 1 1 53 53 ASN N N 15 116.941 0.000 . . . . . A 53 ASN N . 25636 1 582 . 1 1 54 54 GLY H H 1 7.949 0.007 . . . . . A 54 GLY H . 25636 1 583 . 1 1 54 54 GLY HA2 H 1 4.052 0.011 . . . . . A 54 GLY HA2 . 25636 1 584 . 1 1 54 54 GLY HA3 H 1 3.824 0.006 . . . . . A 54 GLY HA3 . 25636 1 585 . 1 1 54 54 GLY CA C 13 45.735 0.000 . . . . . A 54 GLY CA . 25636 1 586 . 1 1 54 54 GLY N N 15 106.580 0.000 . . . . . A 54 GLY N . 25636 1 587 . 1 1 55 55 LYS H H 1 7.806 0.046 . . . . . A 55 LYS H . 25636 1 588 . 1 1 55 55 LYS HA H 1 4.251 0.014 . . . . . A 55 LYS HA . 25636 1 589 . 1 1 55 55 LYS HB2 H 1 1.802 0.003 . . . . . A 55 LYS HB2 . 25636 1 590 . 1 1 55 55 LYS HB3 H 1 1.802 0.003 . . . . . A 55 LYS HB3 . 25636 1 591 . 1 1 55 55 LYS HG2 H 1 1.265 0.014 . . . . . A 55 LYS HG2 . 25636 1 592 . 1 1 55 55 LYS HG3 H 1 1.265 0.014 . . . . . A 55 LYS HG3 . 25636 1 593 . 1 1 55 55 LYS HD2 H 1 1.625 0.021 . . . . . A 55 LYS HD2 . 25636 1 594 . 1 1 55 55 LYS HD3 H 1 1.625 0.021 . . . . . A 55 LYS HD3 . 25636 1 595 . 1 1 55 55 LYS HE2 H 1 2.946 0.020 . . . . . A 55 LYS HE2 . 25636 1 596 . 1 1 55 55 LYS HE3 H 1 2.946 0.020 . . . . . A 55 LYS HE3 . 25636 1 597 . 1 1 55 55 LYS CA C 13 55.848 0.000 . . . . . A 55 LYS CA . 25636 1 598 . 1 1 55 55 LYS CB C 13 32.595 0.000 . . . . . A 55 LYS CB . 25636 1 599 . 1 1 55 55 LYS CG C 13 25.809 0.000 . . . . . A 55 LYS CG . 25636 1 600 . 1 1 55 55 LYS CD C 13 28.690 0.000 . . . . . A 55 LYS CD . 25636 1 601 . 1 1 55 55 LYS CE C 13 42.469 0.000 . . . . . A 55 LYS CE . 25636 1 602 . 1 1 55 55 LYS N N 15 120.679 0.000 . . . . . A 55 LYS N . 25636 1 603 . 1 1 56 56 GLN H H 1 8.241 0.027 . . . . . A 56 GLN H . 25636 1 604 . 1 1 56 56 GLN HA H 1 4.114 0.011 . . . . . A 56 GLN HA . 25636 1 605 . 1 1 56 56 GLN HB2 H 1 1.919 0.008 . . . . . A 56 GLN HB2 . 25636 1 606 . 1 1 56 56 GLN HB3 H 1 1.919 0.008 . . . . . A 56 GLN HB3 . 25636 1 607 . 1 1 56 56 GLN HG2 H 1 2.376 0.010 . . . . . A 56 GLN HG2 . 25636 1 608 . 1 1 56 56 GLN HG3 H 1 2.376 0.010 . . . . . A 56 GLN HG3 . 25636 1 609 . 1 1 56 56 GLN HE21 H 1 6.838 0.000 . . . . . A 56 GLN HE21 . 25636 1 610 . 1 1 56 56 GLN HE22 H 1 7.644 0.000 . . . . . A 56 GLN HE22 . 25636 1 611 . 1 1 56 56 GLN CA C 13 55.865 0.000 . . . . . A 56 GLN CA . 25636 1 612 . 1 1 56 56 GLN CB C 13 29.228 0.000 . . . . . A 56 GLN CB . 25636 1 613 . 1 1 56 56 GLN CG C 13 33.620 0.000 . . . . . A 56 GLN CG . 25636 1 614 . 1 1 56 56 GLN N N 15 119.471 0.000 . . . . . A 56 GLN N . 25636 1 615 . 1 1 57 57 ALA H H 1 8.667 0.040 . . . . . A 57 ALA H . 25636 1 616 . 1 1 57 57 ALA HA H 1 4.136 0.002 . . . . . A 57 ALA HA . 25636 1 617 . 1 1 57 57 ALA HB1 H 1 1.065 0.006 . . . . . A 57 ALA HB1 . 25636 1 618 . 1 1 57 57 ALA HB2 H 1 1.065 0.006 . . . . . A 57 ALA HB2 . 25636 1 619 . 1 1 57 57 ALA HB3 H 1 1.065 0.006 . . . . . A 57 ALA HB3 . 25636 1 620 . 1 1 57 57 ALA CA C 13 50.210 0.000 . . . . . A 57 ALA CA . 25636 1 621 . 1 1 57 57 ALA CB C 13 18.056 0.000 . . . . . A 57 ALA CB . 25636 1 622 . 1 1 57 57 ALA N N 15 129.241 0.000 . . . . . A 57 ALA N . 25636 1 623 . 1 1 58 58 PRO HA H 1 4.181 0.009 . . . . . A 58 PRO HA . 25636 1 624 . 1 1 58 58 PRO HB2 H 1 0.003 0.016 . . . . . A 58 PRO HB2 . 25636 1 625 . 1 1 58 58 PRO HB3 H 1 1.740 0.003 . . . . . A 58 PRO HB3 . 25636 1 626 . 1 1 58 58 PRO HG2 H 1 1.435 0.000 . . . . . A 58 PRO HG2 . 25636 1 627 . 1 1 58 58 PRO HG3 H 1 0.694 0.003 . . . . . A 58 PRO HG3 . 25636 1 628 . 1 1 58 58 PRO HD2 H 1 3.413 0.000 . . . . . A 58 PRO HD2 . 25636 1 629 . 1 1 58 58 PRO HD3 H 1 2.508 0.000 . . . . . A 58 PRO HD3 . 25636 1 630 . 1 1 58 58 PRO CA C 13 62.162 0.000 . . . . . A 58 PRO CA . 25636 1 631 . 1 1 58 58 PRO CB C 13 31.226 0.000 . . . . . A 58 PRO CB . 25636 1 632 . 1 1 58 58 PRO CG C 13 27.444 0.000 . . . . . A 58 PRO CG . 25636 1 633 . 1 1 58 58 PRO CD C 13 49.686 0.000 . . . . . A 58 PRO CD . 25636 1 634 . 1 1 59 59 ASP H H 1 8.576 0.039 . . . . . A 59 ASP H . 25636 1 635 . 1 1 59 59 ASP HA H 1 4.151 0.018 . . . . . A 59 ASP HA . 25636 1 636 . 1 1 59 59 ASP HB2 H 1 2.716 0.003 . . . . . A 59 ASP HB2 . 25636 1 637 . 1 1 59 59 ASP HB3 H 1 2.716 0.003 . . . . . A 59 ASP HB3 . 25636 1 638 . 1 1 59 59 ASP CA C 13 56.483 0.000 . . . . . A 59 ASP CA . 25636 1 639 . 1 1 59 59 ASP CB C 13 40.568 0.000 . . . . . A 59 ASP CB . 25636 1 640 . 1 1 59 59 ASP N N 15 120.839 0.000 . . . . . A 59 ASP N . 25636 1 641 . 1 1 60 60 TRP H H 1 6.701 0.004 . . . . . A 60 TRP H . 25636 1 642 . 1 1 60 60 TRP HA H 1 4.460 0.001 . . . . . A 60 TRP HA . 25636 1 643 . 1 1 60 60 TRP HB2 H 1 3.682 0.004 . . . . . A 60 TRP HB2 . 25636 1 644 . 1 1 60 60 TRP HB3 H 1 3.077 0.007 . . . . . A 60 TRP HB3 . 25636 1 645 . 1 1 60 60 TRP HD1 H 1 7.315 0.000 . . . . . A 60 TRP HD1 . 25636 1 646 . 1 1 60 60 TRP HE1 H 1 10.334 0.000 . . . . . A 60 TRP HE1 . 25636 1 647 . 1 1 60 60 TRP HE3 H 1 7.228 0.000 . . . . . A 60 TRP HE3 . 25636 1 648 . 1 1 60 60 TRP HZ2 H 1 7.387 0.000 . . . . . A 60 TRP HZ2 . 25636 1 649 . 1 1 60 60 TRP HZ3 H 1 6.564 0.000 . . . . . A 60 TRP HZ3 . 25636 1 650 . 1 1 60 60 TRP HH2 H 1 6.905 0.000 . . . . . A 60 TRP HH2 . 25636 1 651 . 1 1 60 60 TRP CA C 13 54.579 0.000 . . . . . A 60 TRP CA . 25636 1 652 . 1 1 60 60 TRP CB C 13 29.366 0.000 . . . . . A 60 TRP CB . 25636 1 653 . 1 1 60 60 TRP N N 15 114.095 0.000 . . . . . A 60 TRP N . 25636 1 654 . 1 1 61 61 LEU H H 1 6.541 0.000 . . . . . A 61 LEU H . 25636 1 655 . 1 1 61 61 LEU HA H 1 4.743 0.018 . . . . . A 61 LEU HA . 25636 1 656 . 1 1 61 61 LEU HB2 H 1 1.249 0.006 . . . . . A 61 LEU HB2 . 25636 1 657 . 1 1 61 61 LEU HB3 H 1 0.190 0.017 . . . . . A 61 LEU HB3 . 25636 1 658 . 1 1 61 61 LEU HG H 1 1.151 0.009 . . . . . A 61 LEU HG . 25636 1 659 . 1 1 61 61 LEU HD11 H 1 0.579 0.013 . . . . . A 61 LEU HD11 . 25636 1 660 . 1 1 61 61 LEU HD12 H 1 0.579 0.013 . . . . . A 61 LEU HD12 . 25636 1 661 . 1 1 61 61 LEU HD13 H 1 0.579 0.013 . . . . . A 61 LEU HD13 . 25636 1 662 . 1 1 61 61 LEU HD21 H 1 0.246 0.012 . . . . . A 61 LEU HD21 . 25636 1 663 . 1 1 61 61 LEU HD22 H 1 0.246 0.012 . . . . . A 61 LEU HD22 . 25636 1 664 . 1 1 61 61 LEU HD23 H 1 0.246 0.012 . . . . . A 61 LEU HD23 . 25636 1 665 . 1 1 61 61 LEU CA C 13 54.839 0.000 . . . . . A 61 LEU CA . 25636 1 666 . 1 1 61 61 LEU CB C 13 42.083 0.000 . . . . . A 61 LEU CB . 25636 1 667 . 1 1 61 61 LEU CG C 13 26.867 0.000 . . . . . A 61 LEU CG . 25636 1 668 . 1 1 61 61 LEU CD1 C 13 23.704 0.000 . . . . . A 61 LEU CD1 . 25636 1 669 . 1 1 61 61 LEU CD2 C 13 25.394 0.000 . . . . . A 61 LEU CD2 . 25636 1 670 . 1 1 61 61 LEU N N 15 123.142 0.000 . . . . . A 61 LEU N . 25636 1 671 . 1 1 62 62 ALA H H 1 8.993 0.020 . . . . . A 62 ALA H . 25636 1 672 . 1 1 62 62 ALA HA H 1 4.644 0.004 . . . . . A 62 ALA HA . 25636 1 673 . 1 1 62 62 ALA HB1 H 1 0.931 0.020 . . . . . A 62 ALA HB1 . 25636 1 674 . 1 1 62 62 ALA HB2 H 1 0.931 0.020 . . . . . A 62 ALA HB2 . 25636 1 675 . 1 1 62 62 ALA HB3 H 1 0.931 0.020 . . . . . A 62 ALA HB3 . 25636 1 676 . 1 1 62 62 ALA CA C 13 50.478 0.000 . . . . . A 62 ALA CA . 25636 1 677 . 1 1 62 62 ALA CB C 13 23.434 0.000 . . . . . A 62 ALA CB . 25636 1 678 . 1 1 62 62 ALA N N 15 131.106 0.000 . . . . . A 62 ALA N . 25636 1 679 . 1 1 63 63 ALA H H 1 8.139 0.030 . . . . . A 63 ALA H . 25636 1 680 . 1 1 63 63 ALA HA H 1 5.633 0.001 . . . . . A 63 ALA HA . 25636 1 681 . 1 1 63 63 ALA HB1 H 1 0.625 0.008 . . . . . A 63 ALA HB1 . 25636 1 682 . 1 1 63 63 ALA HB2 H 1 0.625 0.008 . . . . . A 63 ALA HB2 . 25636 1 683 . 1 1 63 63 ALA HB3 H 1 0.625 0.008 . . . . . A 63 ALA HB3 . 25636 1 684 . 1 1 63 63 ALA CA C 13 51.143 0.000 . . . . . A 63 ALA CA . 25636 1 685 . 1 1 63 63 ALA CB C 13 22.490 0.000 . . . . . A 63 ALA CB . 25636 1 686 . 1 1 63 63 ALA N N 15 118.796 0.000 . . . . . A 63 ALA N . 25636 1 687 . 1 1 64 64 GLU H H 1 8.563 0.004 . . . . . A 64 GLU H . 25636 1 688 . 1 1 64 64 GLU HA H 1 4.902 0.001 . . . . . A 64 GLU HA . 25636 1 689 . 1 1 64 64 GLU HB2 H 1 2.159 0.001 . . . . . A 64 GLU HB2 . 25636 1 690 . 1 1 64 64 GLU HB3 H 1 1.982 0.007 . . . . . A 64 GLU HB3 . 25636 1 691 . 1 1 64 64 GLU HG2 H 1 2.335 0.000 . . . . . A 64 GLU HG2 . 25636 1 692 . 1 1 64 64 GLU HG3 H 1 2.164 0.000 . . . . . A 64 GLU HG3 . 25636 1 693 . 1 1 64 64 GLU CA C 13 53.009 0.000 . . . . . A 64 GLU CA . 25636 1 694 . 1 1 64 64 GLU CB C 13 32.619 0.000 . . . . . A 64 GLU CB . 25636 1 695 . 1 1 64 64 GLU CG C 13 35.642 0.000 . . . . . A 64 GLU CG . 25636 1 696 . 1 1 64 64 GLU N N 15 116.715 0.000 . . . . . A 64 GLU N . 25636 1 697 . 1 1 65 65 PRO HA H 1 5.486 0.006 . . . . . A 65 PRO HA . 25636 1 698 . 1 1 65 65 PRO HB2 H 1 1.905 0.006 . . . . . A 65 PRO HB2 . 25636 1 699 . 1 1 65 65 PRO HB3 H 1 2.380 0.008 . . . . . A 65 PRO HB3 . 25636 1 700 . 1 1 65 65 PRO HG2 H 1 2.093 0.024 . . . . . A 65 PRO HG2 . 25636 1 701 . 1 1 65 65 PRO HG3 H 1 2.093 0.024 . . . . . A 65 PRO HG3 . 25636 1 702 . 1 1 65 65 PRO HD2 H 1 3.767 0.012 . . . . . A 65 PRO HD2 . 25636 1 703 . 1 1 65 65 PRO HD3 H 1 3.498 0.019 . . . . . A 65 PRO HD3 . 25636 1 704 . 1 1 65 65 PRO CA C 13 62.878 0.000 . . . . . A 65 PRO CA . 25636 1 705 . 1 1 65 65 PRO CB C 13 32.606 0.000 . . . . . A 65 PRO CB . 25636 1 706 . 1 1 65 65 PRO CG C 13 27.536 0.000 . . . . . A 65 PRO CG . 25636 1 707 . 1 1 65 65 PRO CD C 13 50.559 0.000 . . . . . A 65 PRO CD . 25636 1 708 . 1 1 66 66 TYR H H 1 8.844 0.009 . . . . . A 66 TYR H . 25636 1 709 . 1 1 66 66 TYR HA H 1 4.397 0.007 . . . . . A 66 TYR HA . 25636 1 710 . 1 1 66 66 TYR HB2 H 1 3.021 0.006 . . . . . A 66 TYR HB2 . 25636 1 711 . 1 1 66 66 TYR HB3 H 1 2.708 0.011 . . . . . A 66 TYR HB3 . 25636 1 712 . 1 1 66 66 TYR HD1 H 1 7.226 0.000 . . . . . A 66 TYR HD1 . 25636 1 713 . 1 1 66 66 TYR HD2 H 1 7.226 0.000 . . . . . A 66 TYR HD2 . 25636 1 714 . 1 1 66 66 TYR HE1 H 1 6.777 0.000 . . . . . A 66 TYR HE1 . 25636 1 715 . 1 1 66 66 TYR HE2 H 1 6.777 0.000 . . . . . A 66 TYR HE2 . 25636 1 716 . 1 1 66 66 TYR CA C 13 61.438 0.000 . . . . . A 66 TYR CA . 25636 1 717 . 1 1 66 66 TYR CB C 13 43.156 0.000 . . . . . A 66 TYR CB . 25636 1 718 . 1 1 66 66 TYR N N 15 127.202 0.000 . . . . . A 66 TYR N . 25636 1 stop_ save_