################################### # 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 31018 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 31018 1 2 '3D 1H-13C NOESY aliphatic' . . . 31018 1 3 '3D 1H-13C NOESY aromatic' . . . 31018 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 1 1 MET HA H 1 3.980 0.000 . . . . . . A 1 MET HA . 31018 1 2 . 1 . 1 1 1 MET HB2 H 1 2.056 0.000 . . . . . . A 1 MET HB2 . 31018 1 3 . 1 . 1 1 1 MET HB3 H 1 2.056 0.000 . . . . . . A 1 MET HB3 . 31018 1 4 . 1 . 1 1 1 MET HG2 H 1 2.558 0.000 . . . . . . A 1 MET HG2 . 31018 1 5 . 1 . 1 1 1 MET HG3 H 1 2.558 0.000 . . . . . . A 1 MET HG3 . 31018 1 6 . 1 . 1 1 1 MET HE1 H 1 2.042 0.000 . . . . . . A 1 MET HE1 . 31018 1 7 . 1 . 1 1 1 MET HE2 H 1 2.042 0.000 . . . . . . A 1 MET HE2 . 31018 1 8 . 1 . 1 1 1 MET HE3 H 1 2.042 0.000 . . . . . . A 1 MET HE3 . 31018 1 9 . 1 . 1 1 1 MET CA C 13 55.786 0.000 . . . . . . A 1 MET CA . 31018 1 10 . 1 . 1 1 1 MET CB C 13 34.098 0.000 . . . . . . A 1 MET CB . 31018 1 11 . 1 . 1 1 1 MET CG C 13 31.509 0.000 . . . . . . A 1 MET CG . 31018 1 12 . 1 . 1 1 1 MET CE C 13 17.290 0.000 . . . . . . A 1 MET CE . 31018 1 13 . 1 . 1 2 2 ASP HA H 1 4.614 0.000 . . . . . . A 2 ASP HA . 31018 1 14 . 1 . 1 2 2 ASP HB2 H 1 2.686 0.000 . . . . . . A 2 ASP HB2 . 31018 1 15 . 1 . 1 2 2 ASP HB3 H 1 2.613 0.000 . . . . . . A 2 ASP HB3 . 31018 1 16 . 1 . 1 2 2 ASP C C 13 175.851 0.000 . . . . . . A 2 ASP C . 31018 1 17 . 1 . 1 2 2 ASP CA C 13 55.152 0.000 . . . . . . A 2 ASP CA . 31018 1 18 . 1 . 1 2 2 ASP CB C 13 41.990 0.000 . . . . . . A 2 ASP CB . 31018 1 19 . 1 . 1 3 3 GLY H H 1 8.243 0.000 . . . . . . A 3 GLY H . 31018 1 20 . 1 . 1 3 3 GLY HA2 H 1 3.789 0.000 . . . . . . A 3 GLY HA2 . 31018 1 21 . 1 . 1 3 3 GLY HA3 H 1 3.639 0.000 . . . . . . A 3 GLY HA3 . 31018 1 22 . 1 . 1 3 3 GLY C C 13 173.809 0.000 . . . . . . A 3 GLY C . 31018 1 23 . 1 . 1 3 3 GLY CA C 13 45.498 0.000 . . . . . . A 3 GLY CA . 31018 1 24 . 1 . 1 3 3 GLY N N 15 108.112 0.000 . . . . . . A 3 GLY N . 31018 1 25 . 1 . 1 4 4 PHE H H 1 7.592 0.000 . . . . . . A 4 PHE H . 31018 1 26 . 1 . 1 4 4 PHE HA H 1 4.501 0.000 . . . . . . A 4 PHE HA . 31018 1 27 . 1 . 1 4 4 PHE HB2 H 1 2.897 0.000 . . . . . . A 4 PHE HB2 . 31018 1 28 . 1 . 1 4 4 PHE HB3 H 1 2.586 0.000 . . . . . . A 4 PHE HB3 . 31018 1 29 . 1 . 1 4 4 PHE HD1 H 1 6.842 0.000 . . . . . . A 4 PHE HD1 . 31018 1 30 . 1 . 1 4 4 PHE HD2 H 1 6.842 0.000 . . . . . . A 4 PHE HD2 . 31018 1 31 . 1 . 1 4 4 PHE HE1 H 1 7.129 0.000 . . . . . . A 4 PHE HE1 . 31018 1 32 . 1 . 1 4 4 PHE HE2 H 1 7.129 0.000 . . . . . . A 4 PHE HE2 . 31018 1 33 . 1 . 1 4 4 PHE HZ H 1 7.235 0.000 . . . . . . A 4 PHE HZ . 31018 1 34 . 1 . 1 4 4 PHE C C 13 174.595 0.000 . . . . . . A 4 PHE C . 31018 1 35 . 1 . 1 4 4 PHE CA C 13 57.183 0.000 . . . . . . A 4 PHE CA . 31018 1 36 . 1 . 1 4 4 PHE CB C 13 39.546 0.000 . . . . . . A 4 PHE CB . 31018 1 37 . 1 . 1 4 4 PHE CD1 C 13 131.532 0.000 . . . . . . A 4 PHE CD1 . 31018 1 38 . 1 . 1 4 4 PHE CE1 C 13 131.532 0.000 . . . . . . A 4 PHE CE1 . 31018 1 39 . 1 . 1 4 4 PHE CZ C 13 129.978 0.000 . . . . . . A 4 PHE CZ . 31018 1 40 . 1 . 1 4 4 PHE N N 15 119.503 0.000 . . . . . . A 4 PHE N . 31018 1 41 . 1 . 1 5 5 ASP H H 1 7.828 0.001 . . . . . . A 5 ASP H . 31018 1 42 . 1 . 1 5 5 ASP HA H 1 4.673 0.000 . . . . . . A 5 ASP HA . 31018 1 43 . 1 . 1 5 5 ASP HB2 H 1 2.696 0.000 . . . . . . A 5 ASP HB2 . 31018 1 44 . 1 . 1 5 5 ASP HB3 H 1 2.503 0.000 . . . . . . A 5 ASP HB3 . 31018 1 45 . 1 . 1 5 5 ASP C C 13 175.904 0.000 . . . . . . A 5 ASP C . 31018 1 46 . 1 . 1 5 5 ASP CA C 13 53.951 0.000 . . . . . . A 5 ASP CA . 31018 1 47 . 1 . 1 5 5 ASP CB C 13 42.611 0.000 . . . . . . A 5 ASP CB . 31018 1 48 . 1 . 1 5 5 ASP N N 15 120.850 0.000 . . . . . . A 5 ASP N . 31018 1 49 . 1 . 1 6 6 ARG H H 1 8.447 0.001 . . . . . . A 6 ARG H . 31018 1 50 . 1 . 1 6 6 ARG HA H 1 3.880 0.000 . . . . . . A 6 ARG HA . 31018 1 51 . 1 . 1 6 6 ARG HB2 H 1 1.848 0.000 . . . . . . A 6 ARG HB2 . 31018 1 52 . 1 . 1 6 6 ARG HB3 H 1 1.848 0.000 . . . . . . A 6 ARG HB3 . 31018 1 53 . 1 . 1 6 6 ARG HG2 H 1 1.831 0.000 . . . . . . A 6 ARG HG2 . 31018 1 54 . 1 . 1 6 6 ARG HG3 H 1 1.634 0.000 . . . . . . A 6 ARG HG3 . 31018 1 55 . 1 . 1 6 6 ARG HD2 H 1 3.297 0.000 . . . . . . A 6 ARG HD2 . 31018 1 56 . 1 . 1 6 6 ARG HD3 H 1 3.297 0.000 . . . . . . A 6 ARG HD3 . 31018 1 57 . 1 . 1 6 6 ARG C C 13 177.618 0.000 . . . . . . A 6 ARG C . 31018 1 58 . 1 . 1 6 6 ARG CA C 13 58.343 0.000 . . . . . . A 6 ARG CA . 31018 1 59 . 1 . 1 6 6 ARG CB C 13 30.264 0.000 . . . . . . A 6 ARG CB . 31018 1 60 . 1 . 1 6 6 ARG CG C 13 27.737 0.000 . . . . . . A 6 ARG CG . 31018 1 61 . 1 . 1 6 6 ARG CD C 13 44.062 0.000 . . . . . . A 6 ARG CD . 31018 1 62 . 1 . 1 6 6 ARG N N 15 121.302 0.000 . . . . . . A 6 ARG N . 31018 1 63 . 1 . 1 7 7 GLY H H 1 9.032 0.001 . . . . . . A 7 GLY H . 31018 1 64 . 1 . 1 7 7 GLY HA2 H 1 4.325 0.000 . . . . . . A 7 GLY HA2 . 31018 1 65 . 1 . 1 7 7 GLY HA3 H 1 3.743 0.000 . . . . . . A 7 GLY HA3 . 31018 1 66 . 1 . 1 7 7 GLY C C 13 173.929 0.000 . . . . . . A 7 GLY C . 31018 1 67 . 1 . 1 7 7 GLY CA C 13 45.511 0.000 . . . . . . A 7 GLY CA . 31018 1 68 . 1 . 1 7 7 GLY N N 15 113.548 0.000 . . . . . . A 7 GLY N . 31018 1 69 . 1 . 1 8 8 ALA H H 1 8.067 0.000 . . . . . . A 8 ALA H . 31018 1 70 . 1 . 1 8 8 ALA HA H 1 4.386 0.000 . . . . . . A 8 ALA HA . 31018 1 71 . 1 . 1 8 8 ALA HB1 H 1 1.499 0.000 . . . . . . A 8 ALA HB1 . 31018 1 72 . 1 . 1 8 8 ALA HB2 H 1 1.499 0.000 . . . . . . A 8 ALA HB2 . 31018 1 73 . 1 . 1 8 8 ALA HB3 H 1 1.499 0.000 . . . . . . A 8 ALA HB3 . 31018 1 74 . 1 . 1 8 8 ALA C C 13 176.878 0.000 . . . . . . A 8 ALA C . 31018 1 75 . 1 . 1 8 8 ALA CA C 13 52.832 0.000 . . . . . . A 8 ALA CA . 31018 1 76 . 1 . 1 8 8 ALA CB C 13 20.072 0.000 . . . . . . A 8 ALA CB . 31018 1 77 . 1 . 1 8 8 ALA N N 15 123.367 0.000 . . . . . . A 8 ALA N . 31018 1 78 . 1 . 1 9 9 ASP H H 1 8.247 0.000 . . . . . . A 9 ASP H . 31018 1 79 . 1 . 1 9 9 ASP HA H 1 5.423 0.000 . . . . . . A 9 ASP HA . 31018 1 80 . 1 . 1 9 9 ASP HB2 H 1 2.632 0.000 . . . . . . A 9 ASP HB2 . 31018 1 81 . 1 . 1 9 9 ASP HB3 H 1 2.493 0.000 . . . . . . A 9 ASP HB3 . 31018 1 82 . 1 . 1 9 9 ASP C C 13 176.768 0.000 . . . . . . A 9 ASP C . 31018 1 83 . 1 . 1 9 9 ASP CA C 13 54.489 0.000 . . . . . . A 9 ASP CA . 31018 1 84 . 1 . 1 9 9 ASP CB C 13 42.694 0.000 . . . . . . A 9 ASP CB . 31018 1 85 . 1 . 1 9 9 ASP N N 15 119.751 0.000 . . . . . . A 9 ASP N . 31018 1 86 . 1 . 1 10 10 VAL H H 1 9.012 0.001 . . . . . . A 10 VAL H . 31018 1 87 . 1 . 1 10 10 VAL HA H 1 4.953 0.000 . . . . . . A 10 VAL HA . 31018 1 88 . 1 . 1 10 10 VAL HB H 1 2.042 0.000 . . . . . . A 10 VAL HB . 31018 1 89 . 1 . 1 10 10 VAL HG11 H 1 0.811 0.000 . . . . . . A 10 VAL HG11 . 31018 1 90 . 1 . 1 10 10 VAL HG12 H 1 0.811 0.000 . . . . . . A 10 VAL HG12 . 31018 1 91 . 1 . 1 10 10 VAL HG13 H 1 0.811 0.000 . . . . . . A 10 VAL HG13 . 31018 1 92 . 1 . 1 10 10 VAL HG21 H 1 0.839 0.000 . . . . . . A 10 VAL HG21 . 31018 1 93 . 1 . 1 10 10 VAL HG22 H 1 0.839 0.000 . . . . . . A 10 VAL HG22 . 31018 1 94 . 1 . 1 10 10 VAL HG23 H 1 0.839 0.000 . . . . . . A 10 VAL HG23 . 31018 1 95 . 1 . 1 10 10 VAL C C 13 174.828 0.000 . . . . . . A 10 VAL C . 31018 1 96 . 1 . 1 10 10 VAL CA C 13 59.793 0.000 . . . . . . A 10 VAL CA . 31018 1 97 . 1 . 1 10 10 VAL CB C 13 35.609 0.000 . . . . . . A 10 VAL CB . 31018 1 98 . 1 . 1 10 10 VAL CG1 C 13 22.682 0.000 . . . . . . A 10 VAL CG1 . 31018 1 99 . 1 . 1 10 10 VAL CG2 C 13 20.610 0.000 . . . . . . A 10 VAL CG2 . 31018 1 100 . 1 . 1 10 10 VAL N N 15 116.997 0.000 . . . . . . A 10 VAL N . 31018 1 101 . 1 . 1 11 11 THR H H 1 8.839 0.001 . . . . . . A 11 THR H . 31018 1 102 . 1 . 1 11 11 THR HA H 1 5.313 0.000 . . . . . . A 11 THR HA . 31018 1 103 . 1 . 1 11 11 THR HB H 1 3.952 0.000 . . . . . . A 11 THR HB . 31018 1 104 . 1 . 1 11 11 THR HG21 H 1 1.105 0.000 . . . . . . A 11 THR HG21 . 31018 1 105 . 1 . 1 11 11 THR HG22 H 1 1.105 0.000 . . . . . . A 11 THR HG22 . 31018 1 106 . 1 . 1 11 11 THR HG23 H 1 1.105 0.000 . . . . . . A 11 THR HG23 . 31018 1 107 . 1 . 1 11 11 THR C C 13 173.638 0.000 . . . . . . A 11 THR C . 31018 1 108 . 1 . 1 11 11 THR CA C 13 61.201 0.000 . . . . . . A 11 THR CA . 31018 1 109 . 1 . 1 11 11 THR CB C 13 71.698 0.000 . . . . . . A 11 THR CB . 31018 1 110 . 1 . 1 11 11 THR CG2 C 13 22.019 0.000 . . . . . . A 11 THR CG2 . 31018 1 111 . 1 . 1 11 11 THR N N 15 116.152 0.000 . . . . . . A 11 THR N . 31018 1 112 . 1 . 1 12 12 TYR H H 1 8.874 0.000 . . . . . . A 12 TYR H . 31018 1 113 . 1 . 1 12 12 TYR HA H 1 4.868 0.000 . . . . . . A 12 TYR HA . 31018 1 114 . 1 . 1 12 12 TYR HB2 H 1 2.736 0.000 . . . . . . A 12 TYR HB2 . 31018 1 115 . 1 . 1 12 12 TYR HB3 H 1 2.642 0.000 . . . . . . A 12 TYR HB3 . 31018 1 116 . 1 . 1 12 12 TYR HD1 H 1 6.829 0.000 . . . . . . A 12 TYR HD1 . 31018 1 117 . 1 . 1 12 12 TYR HD2 H 1 6.829 0.000 . . . . . . A 12 TYR HD2 . 31018 1 118 . 1 . 1 12 12 TYR HE1 H 1 6.670 0.000 . . . . . . A 12 TYR HE1 . 31018 1 119 . 1 . 1 12 12 TYR HE2 H 1 6.670 0.000 . . . . . . A 12 TYR HE2 . 31018 1 120 . 1 . 1 12 12 TYR C C 13 174.273 0.000 . . . . . . A 12 TYR C . 31018 1 121 . 1 . 1 12 12 TYR CA C 13 56.768 0.000 . . . . . . A 12 TYR CA . 31018 1 122 . 1 . 1 12 12 TYR CB C 13 42.900 0.000 . . . . . . A 12 TYR CB . 31018 1 123 . 1 . 1 12 12 TYR CD1 C 13 133.344 0.000 . . . . . . A 12 TYR CD1 . 31018 1 124 . 1 . 1 12 12 TYR CE1 C 13 118.584 0.000 . . . . . . A 12 TYR CE1 . 31018 1 125 . 1 . 1 12 12 TYR N N 15 125.409 0.000 . . . . . . A 12 TYR N . 31018 1 126 . 1 . 1 13 13 THR H H 1 7.900 0.000 . . . . . . A 13 THR H . 31018 1 127 . 1 . 1 13 13 THR HA H 1 4.699 0.000 . . . . . . A 13 THR HA . 31018 1 128 . 1 . 1 13 13 THR HB H 1 3.876 0.000 . . . . . . A 13 THR HB . 31018 1 129 . 1 . 1 13 13 THR HG21 H 1 1.118 0.000 . . . . . . A 13 THR HG21 . 31018 1 130 . 1 . 1 13 13 THR HG22 H 1 1.118 0.000 . . . . . . A 13 THR HG22 . 31018 1 131 . 1 . 1 13 13 THR HG23 H 1 1.118 0.000 . . . . . . A 13 THR HG23 . 31018 1 132 . 1 . 1 13 13 THR C C 13 173.359 0.000 . . . . . . A 13 THR C . 31018 1 133 . 1 . 1 13 13 THR CA C 13 61.933 0.000 . . . . . . A 13 THR CA . 31018 1 134 . 1 . 1 13 13 THR CB C 13 69.833 0.000 . . . . . . A 13 THR CB . 31018 1 135 . 1 . 1 13 13 THR CG2 C 13 21.356 0.000 . . . . . . A 13 THR CG2 . 31018 1 136 . 1 . 1 13 13 THR N N 15 123.085 0.000 . . . . . . A 13 THR N . 31018 1 137 . 1 . 1 14 14 ASP H H 1 8.560 0.000 . . . . . . A 14 ASP H . 31018 1 138 . 1 . 1 14 14 ASP HA H 1 4.651 0.000 . . . . . . A 14 ASP HA . 31018 1 139 . 1 . 1 14 14 ASP HB2 H 1 3.032 0.000 . . . . . . A 14 ASP HB2 . 31018 1 140 . 1 . 1 14 14 ASP HB3 H 1 2.779 0.000 . . . . . . A 14 ASP HB3 . 31018 1 141 . 1 . 1 14 14 ASP C C 13 178.495 0.000 . . . . . . A 14 ASP C . 31018 1 142 . 1 . 1 14 14 ASP CA C 13 53.081 0.000 . . . . . . A 14 ASP CA . 31018 1 143 . 1 . 1 14 14 ASP CB C 13 42.819 0.000 . . . . . . A 14 ASP CB . 31018 1 144 . 1 . 1 14 14 ASP N N 15 126.266 0.000 . . . . . . A 14 ASP N . 31018 1 145 . 1 . 1 15 15 SER H H 1 9.120 0.006 . . . . . . A 15 SER H . 31018 1 146 . 1 . 1 15 15 SER HA H 1 4.207 0.000 . . . . . . A 15 SER HA . 31018 1 147 . 1 . 1 15 15 SER HB2 H 1 4.014 0.000 . . . . . . A 15 SER HB2 . 31018 1 148 . 1 . 1 15 15 SER HB3 H 1 3.981 0.000 . . . . . . A 15 SER HB3 . 31018 1 149 . 1 . 1 15 15 SER C C 13 175.018 0.000 . . . . . . A 15 SER C . 31018 1 150 . 1 . 1 15 15 SER CA C 13 61.284 0.000 . . . . . . A 15 SER CA . 31018 1 151 . 1 . 1 15 15 SER CB C 13 63.576 0.000 . . . . . . A 15 SER CB . 31018 1 152 . 1 . 1 15 15 SER N N 15 116.785 0.000 . . . . . . A 15 SER N . 31018 1 153 . 1 . 1 16 16 ASP H H 1 8.121 0.000 . . . . . . A 16 ASP H . 31018 1 154 . 1 . 1 16 16 ASP HA H 1 4.663 0.000 . . . . . . A 16 ASP HA . 31018 1 155 . 1 . 1 16 16 ASP HB2 H 1 2.978 0.000 . . . . . . A 16 ASP HB2 . 31018 1 156 . 1 . 1 16 16 ASP HB3 H 1 2.733 0.000 . . . . . . A 16 ASP HB3 . 31018 1 157 . 1 . 1 16 16 ASP C C 13 177.233 0.000 . . . . . . A 16 ASP C . 31018 1 158 . 1 . 1 16 16 ASP CA C 13 54.034 0.000 . . . . . . A 16 ASP CA . 31018 1 159 . 1 . 1 16 16 ASP CB C 13 40.871 0.000 . . . . . . A 16 ASP CB . 31018 1 160 . 1 . 1 16 16 ASP N N 15 119.554 0.000 . . . . . . A 16 ASP N . 31018 1 161 . 1 . 1 17 17 GLY H H 1 8.209 0.001 . . . . . . A 17 GLY H . 31018 1 162 . 1 . 1 17 17 GLY HA2 H 1 4.262 0.000 . . . . . . A 17 GLY HA2 . 31018 1 163 . 1 . 1 17 17 GLY HA3 H 1 3.560 0.000 . . . . . . A 17 GLY HA3 . 31018 1 164 . 1 . 1 17 17 GLY C C 13 174.663 0.000 . . . . . . A 17 GLY C . 31018 1 165 . 1 . 1 17 17 GLY CA C 13 45.540 0.000 . . . . . . A 17 GLY CA . 31018 1 166 . 1 . 1 17 17 GLY N N 15 108.827 0.000 . . . . . . A 17 GLY N . 31018 1 167 . 1 . 1 18 18 SER H H 1 8.261 0.003 . . . . . . A 18 SER H . 31018 1 168 . 1 . 1 18 18 SER HA H 1 4.370 0.000 . . . . . . A 18 SER HA . 31018 1 169 . 1 . 1 18 18 SER HB2 H 1 3.970 0.000 . . . . . . A 18 SER HB2 . 31018 1 170 . 1 . 1 18 18 SER HB3 H 1 3.912 0.000 . . . . . . A 18 SER HB3 . 31018 1 171 . 1 . 1 18 18 SER C C 13 173.399 0.000 . . . . . . A 18 SER C . 31018 1 172 . 1 . 1 18 18 SER CA C 13 59.192 0.000 . . . . . . A 18 SER CA . 31018 1 173 . 1 . 1 18 18 SER CB C 13 64.115 0.000 . . . . . . A 18 SER CB . 31018 1 174 . 1 . 1 18 18 SER N N 15 118.114 0.000 . . . . . . A 18 SER N . 31018 1 175 . 1 . 1 19 19 LYS H H 1 8.388 0.000 . . . . . . A 19 LYS H . 31018 1 176 . 1 . 1 19 19 LYS HA H 1 4.944 0.000 . . . . . . A 19 LYS HA . 31018 1 177 . 1 . 1 19 19 LYS HB2 H 1 1.699 0.000 . . . . . . A 19 LYS HB2 . 31018 1 178 . 1 . 1 19 19 LYS HB3 H 1 1.645 0.000 . . . . . . A 19 LYS HB3 . 31018 1 179 . 1 . 1 19 19 LYS HG2 H 1 1.407 0.000 . . . . . . A 19 LYS HG2 . 31018 1 180 . 1 . 1 19 19 LYS HG3 H 1 1.350 0.000 . . . . . . A 19 LYS HG3 . 31018 1 181 . 1 . 1 19 19 LYS HD2 H 1 1.602 0.000 . . . . . . A 19 LYS HD2 . 31018 1 182 . 1 . 1 19 19 LYS HD3 H 1 1.602 0.000 . . . . . . A 19 LYS HD3 . 31018 1 183 . 1 . 1 19 19 LYS HE2 H 1 2.943 0.000 . . . . . . A 19 LYS HE2 . 31018 1 184 . 1 . 1 19 19 LYS HE3 H 1 2.943 0.000 . . . . . . A 19 LYS HE3 . 31018 1 185 . 1 . 1 19 19 LYS C C 13 176.581 0.000 . . . . . . A 19 LYS C . 31018 1 186 . 1 . 1 19 19 LYS CA C 13 56.050 0.000 . . . . . . A 19 LYS CA . 31018 1 187 . 1 . 1 19 19 LYS CB C 13 34.160 0.000 . . . . . . A 19 LYS CB . 31018 1 188 . 1 . 1 19 19 LYS CG C 13 25.251 0.000 . . . . . . A 19 LYS CG . 31018 1 189 . 1 . 1 19 19 LYS CD C 13 29.643 0.000 . . . . . . A 19 LYS CD . 31018 1 190 . 1 . 1 19 19 LYS CE C 13 42.514 0.000 . . . . . . A 19 LYS CE . 31018 1 191 . 1 . 1 19 19 LYS N N 15 122.532 0.000 . . . . . . A 19 LYS N . 31018 1 192 . 1 . 1 20 20 LYS H H 1 8.743 0.000 . . . . . . A 20 LYS H . 31018 1 193 . 1 . 1 20 20 LYS HA H 1 4.547 0.000 . . . . . . A 20 LYS HA . 31018 1 194 . 1 . 1 20 20 LYS HB2 H 1 1.602 0.000 . . . . . . A 20 LYS HB2 . 31018 1 195 . 1 . 1 20 20 LYS HB3 H 1 1.562 0.000 . . . . . . A 20 LYS HB3 . 31018 1 196 . 1 . 1 20 20 LYS HG2 H 1 1.462 0.000 . . . . . . A 20 LYS HG2 . 31018 1 197 . 1 . 1 20 20 LYS HG3 H 1 1.363 0.000 . . . . . . A 20 LYS HG3 . 31018 1 198 . 1 . 1 20 20 LYS HD2 H 1 1.757 0.000 . . . . . . A 20 LYS HD2 . 31018 1 199 . 1 . 1 20 20 LYS HD3 H 1 1.699 0.000 . . . . . . A 20 LYS HD3 . 31018 1 200 . 1 . 1 20 20 LYS HE2 H 1 3.032 0.000 . . . . . . A 20 LYS HE2 . 31018 1 201 . 1 . 1 20 20 LYS HE3 H 1 3.032 0.000 . . . . . . A 20 LYS HE3 . 31018 1 202 . 1 . 1 20 20 LYS C C 13 175.107 0.000 . . . . . . A 20 LYS C . 31018 1 203 . 1 . 1 20 20 LYS CA C 13 55.194 0.000 . . . . . . A 20 LYS CA . 31018 1 204 . 1 . 1 20 20 LYS CB C 13 36.065 0.000 . . . . . . A 20 LYS CB . 31018 1 205 . 1 . 1 20 20 LYS CG C 13 25.582 0.000 . . . . . . A 20 LYS CG . 31018 1 206 . 1 . 1 20 20 LYS CD C 13 29.229 0.000 . . . . . . A 20 LYS CD . 31018 1 207 . 1 . 1 20 20 LYS CE C 13 42.902 0.000 . . . . . . A 20 LYS CE . 31018 1 208 . 1 . 1 20 20 LYS N N 15 124.933 0.000 . . . . . . A 20 LYS N . 31018 1 209 . 1 . 1 21 21 THR H H 1 8.016 0.000 . . . . . . A 21 THR H . 31018 1 210 . 1 . 1 21 21 THR HA H 1 5.086 0.000 . . . . . . A 21 THR HA . 31018 1 211 . 1 . 1 21 21 THR HB H 1 3.919 0.000 . . . . . . A 21 THR HB . 31018 1 212 . 1 . 1 21 21 THR HG21 H 1 1.159 0.000 . . . . . . A 21 THR HG21 . 31018 1 213 . 1 . 1 21 21 THR HG22 H 1 1.159 0.000 . . . . . . A 21 THR HG22 . 31018 1 214 . 1 . 1 21 21 THR HG23 H 1 1.159 0.000 . . . . . . A 21 THR HG23 . 31018 1 215 . 1 . 1 21 21 THR C C 13 173.638 0.000 . . . . . . A 21 THR C . 31018 1 216 . 1 . 1 21 21 THR CA C 13 61.674 0.000 . . . . . . A 21 THR CA . 31018 1 217 . 1 . 1 21 21 THR CB C 13 70.870 0.000 . . . . . . A 21 THR CB . 31018 1 218 . 1 . 1 21 21 THR CG2 C 13 21.936 0.000 . . . . . . A 21 THR CG2 . 31018 1 219 . 1 . 1 21 21 THR N N 15 116.434 0.000 . . . . . . A 21 THR N . 31018 1 220 . 1 . 1 22 22 TYR H H 1 9.039 0.000 . . . . . . A 22 TYR H . 31018 1 221 . 1 . 1 22 22 TYR HA H 1 5.091 0.000 . . . . . . A 22 TYR HA . 31018 1 222 . 1 . 1 22 22 TYR HB2 H 1 2.372 0.000 . . . . . . A 22 TYR HB2 . 31018 1 223 . 1 . 1 22 22 TYR HB3 H 1 3.008 0.000 . . . . . . A 22 TYR HB3 . 31018 1 224 . 1 . 1 22 22 TYR HD1 H 1 6.760 0.000 . . . . . . A 22 TYR HD1 . 31018 1 225 . 1 . 1 22 22 TYR HD2 H 1 6.760 0.000 . . . . . . A 22 TYR HD2 . 31018 1 226 . 1 . 1 22 22 TYR HE1 H 1 6.624 0.000 . . . . . . A 22 TYR HE1 . 31018 1 227 . 1 . 1 22 22 TYR HE2 H 1 6.624 0.000 . . . . . . A 22 TYR HE2 . 31018 1 228 . 1 . 1 22 22 TYR C C 13 174.270 0.000 . . . . . . A 22 TYR C . 31018 1 229 . 1 . 1 22 22 TYR CA C 13 56.147 0.000 . . . . . . A 22 TYR CA . 31018 1 230 . 1 . 1 22 22 TYR CB C 13 43.523 0.000 . . . . . . A 22 TYR CB . 31018 1 231 . 1 . 1 22 22 TYR CD1 C 13 132.826 0.000 . . . . . . A 22 TYR CD1 . 31018 1 232 . 1 . 1 22 22 TYR CE1 C 13 118.325 0.000 . . . . . . A 22 TYR CE1 . 31018 1 233 . 1 . 1 22 22 TYR N N 15 123.613 0.000 . . . . . . A 22 TYR N . 31018 1 234 . 1 . 1 23 23 LYS H H 1 8.405 0.000 . . . . . . A 23 LYS H . 31018 1 235 . 1 . 1 23 23 LYS HA H 1 5.299 0.000 . . . . . . A 23 LYS HA . 31018 1 236 . 1 . 1 23 23 LYS HB2 H 1 1.830 0.000 . . . . . . A 23 LYS HB2 . 31018 1 237 . 1 . 1 23 23 LYS HB3 H 1 1.711 0.000 . . . . . . A 23 LYS HB3 . 31018 1 238 . 1 . 1 23 23 LYS HG2 H 1 1.452 0.000 . . . . . . A 23 LYS HG2 . 31018 1 239 . 1 . 1 23 23 LYS HG3 H 1 1.452 0.000 . . . . . . A 23 LYS HG3 . 31018 1 240 . 1 . 1 23 23 LYS HD2 H 1 1.717 0.000 . . . . . . A 23 LYS HD2 . 31018 1 241 . 1 . 1 23 23 LYS HD3 H 1 1.738 0.000 . . . . . . A 23 LYS HD3 . 31018 1 242 . 1 . 1 23 23 LYS HE2 H 1 3.027 0.000 . . . . . . A 23 LYS HE2 . 31018 1 243 . 1 . 1 23 23 LYS HE3 H 1 3.027 0.000 . . . . . . A 23 LYS HE3 . 31018 1 244 . 1 . 1 23 23 LYS C C 13 177.482 0.000 . . . . . . A 23 LYS C . 31018 1 245 . 1 . 1 23 23 LYS CA C 13 54.845 0.000 . . . . . . A 23 LYS CA . 31018 1 246 . 1 . 1 23 23 LYS CB C 13 35.568 0.000 . . . . . . A 23 LYS CB . 31018 1 247 . 1 . 1 23 23 LYS CG C 13 24.837 0.000 . . . . . . A 23 LYS CG . 31018 1 248 . 1 . 1 23 23 LYS CD C 13 29.311 0.000 . . . . . . A 23 LYS CD . 31018 1 249 . 1 . 1 23 23 LYS CE C 13 42.239 0.000 . . . . . . A 23 LYS CE . 31018 1 250 . 1 . 1 23 23 LYS N N 15 119.854 0.000 . . . . . . A 23 LYS N . 31018 1 251 . 1 . 1 24 24 VAL H H 1 9.083 0.000 . . . . . . A 24 VAL H . 31018 1 252 . 1 . 1 24 24 VAL HA H 1 3.768 0.000 . . . . . . A 24 VAL HA . 31018 1 253 . 1 . 1 24 24 VAL HB H 1 2.345 0.000 . . . . . . A 24 VAL HB . 31018 1 254 . 1 . 1 24 24 VAL HG11 H 1 0.727 0.000 . . . . . . A 24 VAL HG11 . 31018 1 255 . 1 . 1 24 24 VAL HG12 H 1 0.727 0.000 . . . . . . A 24 VAL HG12 . 31018 1 256 . 1 . 1 24 24 VAL HG13 H 1 0.727 0.000 . . . . . . A 24 VAL HG13 . 31018 1 257 . 1 . 1 24 24 VAL HG21 H 1 0.961 0.000 . . . . . . A 24 VAL HG21 . 31018 1 258 . 1 . 1 24 24 VAL HG22 H 1 0.961 0.000 . . . . . . A 24 VAL HG22 . 31018 1 259 . 1 . 1 24 24 VAL HG23 H 1 0.961 0.000 . . . . . . A 24 VAL HG23 . 31018 1 260 . 1 . 1 24 24 VAL C C 13 176.462 0.000 . . . . . . A 24 VAL C . 31018 1 261 . 1 . 1 24 24 VAL CA C 13 65.502 0.000 . . . . . . A 24 VAL CA . 31018 1 262 . 1 . 1 24 24 VAL CB C 13 32.668 0.000 . . . . . . A 24 VAL CB . 31018 1 263 . 1 . 1 24 24 VAL CG1 C 13 21.688 0.000 . . . . . . A 24 VAL CG1 . 31018 1 264 . 1 . 1 24 24 VAL CG2 C 13 23.759 0.000 . . . . . . A 24 VAL CG2 . 31018 1 265 . 1 . 1 24 24 VAL N N 15 124.164 0.000 . . . . . . A 24 VAL N . 31018 1 266 . 1 . 1 25 25 LEU H H 1 9.449 0.000 . . . . . . A 25 LEU H . 31018 1 267 . 1 . 1 25 25 LEU HA H 1 4.640 0.000 . . . . . . A 25 LEU HA . 31018 1 268 . 1 . 1 25 25 LEU HB2 H 1 1.511 0.000 . . . . . . A 25 LEU HB2 . 31018 1 269 . 1 . 1 25 25 LEU HB3 H 1 1.511 0.000 . . . . . . A 25 LEU HB3 . 31018 1 270 . 1 . 1 25 25 LEU HG H 1 1.574 0.000 . . . . . . A 25 LEU HG . 31018 1 271 . 1 . 1 25 25 LEU HD11 H 1 0.867 0.000 . . . . . . A 25 LEU HD11 . 31018 1 272 . 1 . 1 25 25 LEU HD12 H 1 0.867 0.000 . . . . . . A 25 LEU HD12 . 31018 1 273 . 1 . 1 25 25 LEU HD13 H 1 0.867 0.000 . . . . . . A 25 LEU HD13 . 31018 1 274 . 1 . 1 25 25 LEU HD21 H 1 0.826 0.000 . . . . . . A 25 LEU HD21 . 31018 1 275 . 1 . 1 25 25 LEU HD22 H 1 0.826 0.000 . . . . . . A 25 LEU HD22 . 31018 1 276 . 1 . 1 25 25 LEU HD23 H 1 0.826 0.000 . . . . . . A 25 LEU HD23 . 31018 1 277 . 1 . 1 25 25 LEU C C 13 176.927 0.000 . . . . . . A 25 LEU C . 31018 1 278 . 1 . 1 25 25 LEU CA C 13 56.478 0.000 . . . . . . A 25 LEU CA . 31018 1 279 . 1 . 1 25 25 LEU CB C 13 44.020 0.000 . . . . . . A 25 LEU CB . 31018 1 280 . 1 . 1 25 25 LEU CG C 13 27.074 0.000 . . . . . . A 25 LEU CG . 31018 1 281 . 1 . 1 25 25 LEU CD1 C 13 25.748 0.000 . . . . . . A 25 LEU CD1 . 31018 1 282 . 1 . 1 25 25 LEU CD2 C 13 23.179 0.000 . . . . . . A 25 LEU CD2 . 31018 1 283 . 1 . 1 25 25 LEU N N 15 129.104 0.000 . . . . . . A 25 LEU N . 31018 1 284 . 1 . 1 26 26 SER H H 1 7.962 0.000 . . . . . . A 26 SER H . 31018 1 285 . 1 . 1 26 26 SER HA H 1 4.601 0.000 . . . . . . A 26 SER HA . 31018 1 286 . 1 . 1 26 26 SER HB2 H 1 3.851 0.000 . . . . . . A 26 SER HB2 . 31018 1 287 . 1 . 1 26 26 SER HB3 H 1 3.851 0.000 . . . . . . A 26 SER HB3 . 31018 1 288 . 1 . 1 26 26 SER C C 13 171.745 0.000 . . . . . . A 26 SER C . 31018 1 289 . 1 . 1 26 26 SER CA C 13 58.136 0.000 . . . . . . A 26 SER CA . 31018 1 290 . 1 . 1 26 26 SER CB C 13 65.110 0.000 . . . . . . A 26 SER CB . 31018 1 291 . 1 . 1 26 26 SER N N 15 110.664 0.000 . . . . . . A 26 SER N . 31018 1 292 . 1 . 1 27 27 TYR H H 1 8.466 0.001 . . . . . . A 27 TYR H . 31018 1 293 . 1 . 1 27 27 TYR HA H 1 5.280 0.000 . . . . . . A 27 TYR HA . 31018 1 294 . 1 . 1 27 27 TYR HB2 H 1 3.051 0.000 . . . . . . A 27 TYR HB2 . 31018 1 295 . 1 . 1 27 27 TYR HB3 H 1 3.051 0.000 . . . . . . A 27 TYR HB3 . 31018 1 296 . 1 . 1 27 27 TYR HD1 H 1 7.063 0.000 . . . . . . A 27 TYR HD1 . 31018 1 297 . 1 . 1 27 27 TYR HD2 H 1 7.063 0.000 . . . . . . A 27 TYR HD2 . 31018 1 298 . 1 . 1 27 27 TYR HE1 H 1 6.768 0.000 . . . . . . A 27 TYR HE1 . 31018 1 299 . 1 . 1 27 27 TYR HE2 H 1 6.768 0.000 . . . . . . A 27 TYR HE2 . 31018 1 300 . 1 . 1 27 27 TYR C C 13 174.746 0.000 . . . . . . A 27 TYR C . 31018 1 301 . 1 . 1 27 27 TYR CA C 13 56.975 0.000 . . . . . . A 27 TYR CA . 31018 1 302 . 1 . 1 27 27 TYR CB C 13 41.659 0.000 . . . . . . A 27 TYR CB . 31018 1 303 . 1 . 1 27 27 TYR CD1 C 13 133.603 0.000 . . . . . . A 27 TYR CD1 . 31018 1 304 . 1 . 1 27 27 TYR CE1 C 13 118.584 0.000 . . . . . . A 27 TYR CE1 . 31018 1 305 . 1 . 1 27 27 TYR N N 15 120.580 0.000 . . . . . . A 27 TYR N . 31018 1 306 . 1 . 1 28 28 SER H H 1 8.367 0.000 . . . . . . A 28 SER H . 31018 1 307 . 1 . 1 28 28 SER HA H 1 4.612 0.000 . . . . . . A 28 SER HA . 31018 1 308 . 1 . 1 28 28 SER HB2 H 1 3.846 0.000 . . . . . . A 28 SER HB2 . 31018 1 309 . 1 . 1 28 28 SER HB3 H 1 3.846 0.000 . . . . . . A 28 SER HB3 . 31018 1 310 . 1 . 1 28 28 SER C C 13 175.092 0.000 . . . . . . A 28 SER C . 31018 1 311 . 1 . 1 28 28 SER CA C 13 57.431 0.000 . . . . . . A 28 SER CA . 31018 1 312 . 1 . 1 28 28 SER CB C 13 64.696 0.000 . . . . . . A 28 SER CB . 31018 1 313 . 1 . 1 28 28 SER N N 15 119.125 0.000 . . . . . . A 28 SER N . 31018 1 314 . 1 . 1 29 29 GLY H H 1 8.433 0.001 . . . . . . A 29 GLY H . 31018 1 315 . 1 . 1 29 29 GLY HA2 H 1 4.068 0.000 . . . . . . A 29 GLY HA2 . 31018 1 316 . 1 . 1 29 29 GLY HA3 H 1 3.662 0.000 . . . . . . A 29 GLY HA3 . 31018 1 317 . 1 . 1 29 29 GLY C C 13 174.234 0.000 . . . . . . A 29 GLY C . 31018 1 318 . 1 . 1 29 29 GLY CA C 13 47.736 0.000 . . . . . . A 29 GLY CA . 31018 1 319 . 1 . 1 29 29 GLY N N 15 116.100 0.000 . . . . . . A 29 GLY N . 31018 1 320 . 1 . 1 30 30 ASP H H 1 8.487 0.000 . . . . . . A 30 ASP H . 31018 1 321 . 1 . 1 30 30 ASP HA H 1 4.748 0.000 . . . . . . A 30 ASP HA . 31018 1 322 . 1 . 1 30 30 ASP HB2 H 1 2.881 0.000 . . . . . . A 30 ASP HB2 . 31018 1 323 . 1 . 1 30 30 ASP HB3 H 1 2.881 0.000 . . . . . . A 30 ASP HB3 . 31018 1 324 . 1 . 1 30 30 ASP C C 13 175.729 0.000 . . . . . . A 30 ASP C . 31018 1 325 . 1 . 1 30 30 ASP CA C 13 54.655 0.000 . . . . . . A 30 ASP CA . 31018 1 326 . 1 . 1 30 30 ASP CB C 13 41.451 0.000 . . . . . . A 30 ASP CB . 31018 1 327 . 1 . 1 30 30 ASP N N 15 122.553 0.000 . . . . . . A 30 ASP N . 31018 1 328 . 1 . 1 31 31 LYS H H 1 7.973 0.000 . . . . . . A 31 LYS H . 31018 1 329 . 1 . 1 31 31 LYS HA H 1 5.040 0.000 . . . . . . A 31 LYS HA . 31018 1 330 . 1 . 1 31 31 LYS HB2 H 1 1.924 0.000 . . . . . . A 31 LYS HB2 . 31018 1 331 . 1 . 1 31 31 LYS HB3 H 1 1.559 0.000 . . . . . . A 31 LYS HB3 . 31018 1 332 . 1 . 1 31 31 LYS HG2 H 1 1.459 0.000 . . . . . . A 31 LYS HG2 . 31018 1 333 . 1 . 1 31 31 LYS HG3 H 1 1.459 0.000 . . . . . . A 31 LYS HG3 . 31018 1 334 . 1 . 1 31 31 LYS HD2 H 1 1.631 0.000 . . . . . . A 31 LYS HD2 . 31018 1 335 . 1 . 1 31 31 LYS HD3 H 1 1.479 0.000 . . . . . . A 31 LYS HD3 . 31018 1 336 . 1 . 1 31 31 LYS HE2 H 1 2.978 0.000 . . . . . . A 31 LYS HE2 . 31018 1 337 . 1 . 1 31 31 LYS HE3 H 1 2.978 0.000 . . . . . . A 31 LYS HE3 . 31018 1 338 . 1 . 1 31 31 LYS C C 13 175.613 0.000 . . . . . . A 31 LYS C . 31018 1 339 . 1 . 1 31 31 LYS CA C 13 55.199 0.000 . . . . . . A 31 LYS CA . 31018 1 340 . 1 . 1 31 31 LYS CB C 13 35.402 0.000 . . . . . . A 31 LYS CB . 31018 1 341 . 1 . 1 31 31 LYS CG C 13 24.919 0.000 . . . . . . A 31 LYS CG . 31018 1 342 . 1 . 1 31 31 LYS CD C 13 29.063 0.000 . . . . . . A 31 LYS CD . 31018 1 343 . 1 . 1 31 31 LYS CE C 13 42.736 0.000 . . . . . . A 31 LYS CE . 31018 1 344 . 1 . 1 31 31 LYS N N 15 119.078 0.000 . . . . . . A 31 LYS N . 31018 1 345 . 1 . 1 32 32 VAL H H 1 9.128 0.000 . . . . . . A 32 VAL H . 31018 1 346 . 1 . 1 32 32 VAL HA H 1 4.673 0.000 . . . . . . A 32 VAL HA . 31018 1 347 . 1 . 1 32 32 VAL HB H 1 1.760 0.000 . . . . . . A 32 VAL HB . 31018 1 348 . 1 . 1 32 32 VAL HG11 H 1 0.735 0.000 . . . . . . A 32 VAL HG11 . 31018 1 349 . 1 . 1 32 32 VAL HG12 H 1 0.735 0.000 . . . . . . A 32 VAL HG12 . 31018 1 350 . 1 . 1 32 32 VAL HG13 H 1 0.735 0.000 . . . . . . A 32 VAL HG13 . 31018 1 351 . 1 . 1 32 32 VAL HG21 H 1 0.486 0.000 . . . . . . A 32 VAL HG21 . 31018 1 352 . 1 . 1 32 32 VAL HG22 H 1 0.486 0.000 . . . . . . A 32 VAL HG22 . 31018 1 353 . 1 . 1 32 32 VAL HG23 H 1 0.486 0.000 . . . . . . A 32 VAL HG23 . 31018 1 354 . 1 . 1 32 32 VAL C C 13 174.592 0.000 . . . . . . A 32 VAL C . 31018 1 355 . 1 . 1 32 32 VAL CA C 13 60.917 0.000 . . . . . . A 32 VAL CA . 31018 1 356 . 1 . 1 32 32 VAL CB C 13 34.781 0.000 . . . . . . A 32 VAL CB . 31018 1 357 . 1 . 1 32 32 VAL CG1 C 13 22.268 0.000 . . . . . . A 32 VAL CG1 . 31018 1 358 . 1 . 1 32 32 VAL CG2 C 13 21.688 0.000 . . . . . . A 32 VAL CG2 . 31018 1 359 . 1 . 1 32 32 VAL N N 15 123.531 0.000 . . . . . . A 32 VAL N . 31018 1 360 . 1 . 1 33 33 THR H H 1 9.024 0.000 . . . . . . A 33 THR H . 31018 1 361 . 1 . 1 33 33 THR HA H 1 5.191 0.000 . . . . . . A 33 THR HA . 31018 1 362 . 1 . 1 33 33 THR HB H 1 4.032 0.000 . . . . . . A 33 THR HB . 31018 1 363 . 1 . 1 33 33 THR HG21 H 1 1.164 0.000 . . . . . . A 33 THR HG21 . 31018 1 364 . 1 . 1 33 33 THR HG22 H 1 1.164 0.000 . . . . . . A 33 THR HG22 . 31018 1 365 . 1 . 1 33 33 THR HG23 H 1 1.164 0.000 . . . . . . A 33 THR HG23 . 31018 1 366 . 1 . 1 33 33 THR C C 13 174.534 0.000 . . . . . . A 33 THR C . 31018 1 367 . 1 . 1 33 33 THR CA C 13 62.610 0.000 . . . . . . A 33 THR CA . 31018 1 368 . 1 . 1 33 33 THR CB C 13 69.710 0.000 . . . . . . A 33 THR CB . 31018 1 369 . 1 . 1 33 33 THR CG2 C 13 22.102 0.000 . . . . . . A 33 THR CG2 . 31018 1 370 . 1 . 1 33 33 THR N N 15 124.619 0.000 . . . . . . A 33 THR N . 31018 1 371 . 1 . 1 34 34 VAL H H 1 9.484 0.000 . . . . . . A 34 VAL H . 31018 1 372 . 1 . 1 34 34 VAL HA H 1 5.378 0.001 . . . . . . A 34 VAL HA . 31018 1 373 . 1 . 1 34 34 VAL HB H 1 2.106 0.000 . . . . . . A 34 VAL HB . 31018 1 374 . 1 . 1 34 34 VAL HG11 H 1 0.716 0.000 . . . . . . A 34 VAL HG11 . 31018 1 375 . 1 . 1 34 34 VAL HG12 H 1 0.716 0.000 . . . . . . A 34 VAL HG12 . 31018 1 376 . 1 . 1 34 34 VAL HG13 H 1 0.716 0.000 . . . . . . A 34 VAL HG13 . 31018 1 377 . 1 . 1 34 34 VAL HG21 H 1 0.430 0.000 . . . . . . A 34 VAL HG21 . 31018 1 378 . 1 . 1 34 34 VAL HG22 H 1 0.430 0.000 . . . . . . A 34 VAL HG22 . 31018 1 379 . 1 . 1 34 34 VAL HG23 H 1 0.430 0.000 . . . . . . A 34 VAL HG23 . 31018 1 380 . 1 . 1 34 34 VAL C C 13 173.635 0.000 . . . . . . A 34 VAL C . 31018 1 381 . 1 . 1 34 34 VAL CA C 13 58.550 0.000 . . . . . . A 34 VAL CA . 31018 1 382 . 1 . 1 34 34 VAL CB C 13 35.941 0.000 . . . . . . A 34 VAL CB . 31018 1 383 . 1 . 1 34 34 VAL CG1 C 13 22.185 0.000 . . . . . . A 34 VAL CG1 . 31018 1 384 . 1 . 1 34 34 VAL CG2 C 13 20.196 0.000 . . . . . . A 34 VAL CG2 . 31018 1 385 . 1 . 1 34 34 VAL N N 15 120.931 0.000 . . . . . . A 34 VAL N . 31018 1 386 . 1 . 1 35 35 GLN H H 1 9.261 0.000 . . . . . . A 35 GLN H . 31018 1 387 . 1 . 1 35 35 GLN HA H 1 5.674 0.000 . . . . . . A 35 GLN HA . 31018 1 388 . 1 . 1 35 35 GLN HB2 H 1 2.083 0.000 . . . . . . A 35 GLN HB2 . 31018 1 389 . 1 . 1 35 35 GLN HB3 H 1 1.912 0.000 . . . . . . A 35 GLN HB3 . 31018 1 390 . 1 . 1 35 35 GLN HG2 H 1 2.611 0.000 . . . . . . A 35 GLN HG2 . 31018 1 391 . 1 . 1 35 35 GLN HG3 H 1 2.199 0.000 . . . . . . A 35 GLN HG3 . 31018 1 392 . 1 . 1 35 35 GLN HE21 H 1 7.329 0.000 . . . . . . A 35 GLN HE21 . 31018 1 393 . 1 . 1 35 35 GLN HE22 H 1 6.792 0.000 . . . . . . A 35 GLN HE22 . 31018 1 394 . 1 . 1 35 35 GLN C C 13 176.766 0.000 . . . . . . A 35 GLN C . 31018 1 395 . 1 . 1 35 35 GLN CA C 13 54.200 0.000 . . . . . . A 35 GLN CA . 31018 1 396 . 1 . 1 35 35 GLN CB C 13 34.076 0.000 . . . . . . A 35 GLN CB . 31018 1 397 . 1 . 1 35 35 GLN CG C 13 35.008 0.188 . . . . . . A 35 GLN CG . 31018 1 398 . 1 . 1 35 35 GLN N N 15 118.854 0.000 . . . . . . A 35 GLN N . 31018 1 399 . 1 . 1 35 35 GLN NE2 N 15 111.485 0.000 . . . . . . A 35 GLN NE2 . 31018 1 400 . 1 . 1 36 36 ASP H H 1 8.869 0.001 . . . . . . A 36 ASP H . 31018 1 401 . 1 . 1 36 36 ASP HA H 1 5.218 0.000 . . . . . . A 36 ASP HA . 31018 1 402 . 1 . 1 36 36 ASP HB2 H 1 3.344 0.000 . . . . . . A 36 ASP HB2 . 31018 1 403 . 1 . 1 36 36 ASP HB3 H 1 2.924 0.000 . . . . . . A 36 ASP HB3 . 31018 1 404 . 1 . 1 36 36 ASP C C 13 178.601 0.000 . . . . . . A 36 ASP C . 31018 1 405 . 1 . 1 36 36 ASP CA C 13 52.791 0.000 . . . . . . A 36 ASP CA . 31018 1 406 . 1 . 1 36 36 ASP CB C 13 43.026 0.000 . . . . . . A 36 ASP CB . 31018 1 407 . 1 . 1 36 36 ASP N N 15 125.774 0.000 . . . . . . A 36 ASP N . 31018 1 408 . 1 . 1 37 37 SER H H 1 8.790 0.000 . . . . . . A 37 SER H . 31018 1 409 . 1 . 1 37 37 SER HA H 1 4.255 0.000 . . . . . . A 37 SER HA . 31018 1 410 . 1 . 1 37 37 SER HB2 H 1 4.080 0.000 . . . . . . A 37 SER HB2 . 31018 1 411 . 1 . 1 37 37 SER HB3 H 1 3.997 0.000 . . . . . . A 37 SER HB3 . 31018 1 412 . 1 . 1 37 37 SER C C 13 175.230 0.000 . . . . . . A 37 SER C . 31018 1 413 . 1 . 1 37 37 SER CA C 13 61.450 0.000 . . . . . . A 37 SER CA . 31018 1 414 . 1 . 1 37 37 SER CB C 13 63.535 0.000 . . . . . . A 37 SER CB . 31018 1 415 . 1 . 1 37 37 SER N N 15 114.988 0.000 . . . . . . A 37 SER N . 31018 1 416 . 1 . 1 38 38 ASP H H 1 8.164 0.000 . . . . . . A 38 ASP H . 31018 1 417 . 1 . 1 38 38 ASP HA H 1 4.847 0.000 . . . . . . A 38 ASP HA . 31018 1 418 . 1 . 1 38 38 ASP HB2 H 1 2.823 0.000 . . . . . . A 38 ASP HB2 . 31018 1 419 . 1 . 1 38 38 ASP HB3 H 1 2.823 0.000 . . . . . . A 38 ASP HB3 . 31018 1 420 . 1 . 1 38 38 ASP C C 13 176.781 0.000 . . . . . . A 38 ASP C . 31018 1 421 . 1 . 1 38 38 ASP CA C 13 54.655 0.000 . . . . . . A 38 ASP CA . 31018 1 422 . 1 . 1 38 38 ASP CB C 13 41.866 0.000 . . . . . . A 38 ASP CB . 31018 1 423 . 1 . 1 38 38 ASP N N 15 120.675 0.000 . . . . . . A 38 ASP N . 31018 1 424 . 1 . 1 39 39 GLY H H 1 8.164 0.000 . . . . . . A 39 GLY H . 31018 1 425 . 1 . 1 39 39 GLY HA2 H 1 3.596 0.000 . . . . . . A 39 GLY HA2 . 31018 1 426 . 1 . 1 39 39 GLY HA3 H 1 4.353 0.000 . . . . . . A 39 GLY HA3 . 31018 1 427 . 1 . 1 39 39 GLY C C 13 174.910 0.000 . . . . . . A 39 GLY C . 31018 1 428 . 1 . 1 39 39 GLY CA C 13 45.581 0.000 . . . . . . A 39 GLY CA . 31018 1 429 . 1 . 1 39 39 GLY N N 15 108.253 0.000 . . . . . . A 39 GLY N . 31018 1 430 . 1 . 1 40 40 ARG H H 1 8.500 0.001 . . . . . . A 40 ARG H . 31018 1 431 . 1 . 1 40 40 ARG HA H 1 4.363 0.000 . . . . . . A 40 ARG HA . 31018 1 432 . 1 . 1 40 40 ARG HB2 H 1 2.009 0.000 . . . . . . A 40 ARG HB2 . 31018 1 433 . 1 . 1 40 40 ARG HB3 H 1 1.851 0.000 . . . . . . A 40 ARG HB3 . 31018 1 434 . 1 . 1 40 40 ARG HG2 H 1 1.734 0.000 . . . . . . A 40 ARG HG2 . 31018 1 435 . 1 . 1 40 40 ARG HG3 H 1 1.624 0.000 . . . . . . A 40 ARG HG3 . 31018 1 436 . 1 . 1 40 40 ARG HD2 H 1 3.282 0.000 . . . . . . A 40 ARG HD2 . 31018 1 437 . 1 . 1 40 40 ARG HD3 H 1 3.282 0.000 . . . . . . A 40 ARG HD3 . 31018 1 438 . 1 . 1 40 40 ARG C C 13 176.210 0.000 . . . . . . A 40 ARG C . 31018 1 439 . 1 . 1 40 40 ARG CA C 13 57.141 0.000 . . . . . . A 40 ARG CA . 31018 1 440 . 1 . 1 40 40 ARG CB C 13 30.844 0.000 . . . . . . A 40 ARG CB . 31018 1 441 . 1 . 1 40 40 ARG CG C 13 28.400 0.000 . . . . . . A 40 ARG CG . 31018 1 442 . 1 . 1 40 40 ARG CD C 13 43.896 0.000 . . . . . . A 40 ARG CD . 31018 1 443 . 1 . 1 40 40 ARG N N 15 123.519 0.000 . . . . . . A 40 ARG N . 31018 1 444 . 1 . 1 41 41 THR H H 1 8.242 0.000 . . . . . . A 41 THR H . 31018 1 445 . 1 . 1 41 41 THR HA H 1 5.311 0.000 . . . . . . A 41 THR HA . 31018 1 446 . 1 . 1 41 41 THR HB H 1 4.002 0.000 . . . . . . A 41 THR HB . 31018 1 447 . 1 . 1 41 41 THR HG21 H 1 1.110 0.000 . . . . . . A 41 THR HG21 . 31018 1 448 . 1 . 1 41 41 THR HG22 H 1 1.110 0.000 . . . . . . A 41 THR HG22 . 31018 1 449 . 1 . 1 41 41 THR HG23 H 1 1.110 0.000 . . . . . . A 41 THR HG23 . 31018 1 450 . 1 . 1 41 41 THR C C 13 174.539 0.000 . . . . . . A 41 THR C . 31018 1 451 . 1 . 1 41 41 THR CA C 13 61.508 0.000 . . . . . . A 41 THR CA . 31018 1 452 . 1 . 1 41 41 THR CB C 13 70.786 0.000 . . . . . . A 41 THR CB . 31018 1 453 . 1 . 1 41 41 THR CG2 C 13 22.268 0.000 . . . . . . A 41 THR CG2 . 31018 1 454 . 1 . 1 41 41 THR N N 15 115.951 0.000 . . . . . . A 41 THR N . 31018 1 455 . 1 . 1 42 42 LEU H H 1 8.838 0.000 . . . . . . A 42 LEU H . 31018 1 456 . 1 . 1 42 42 LEU HA H 1 4.617 0.000 . . . . . . A 42 LEU HA . 31018 1 457 . 1 . 1 42 42 LEU HB2 H 1 1.133 0.000 . . . . . . A 42 LEU HB2 . 31018 1 458 . 1 . 1 42 42 LEU HB3 H 1 1.133 0.000 . . . . . . A 42 LEU HB3 . 31018 1 459 . 1 . 1 42 42 LEU HG H 1 1.375 0.000 . . . . . . A 42 LEU HG . 31018 1 460 . 1 . 1 42 42 LEU HD11 H 1 0.737 0.000 . . . . . . A 42 LEU HD11 . 31018 1 461 . 1 . 1 42 42 LEU HD12 H 1 0.737 0.000 . . . . . . A 42 LEU HD12 . 31018 1 462 . 1 . 1 42 42 LEU HD13 H 1 0.737 0.000 . . . . . . A 42 LEU HD13 . 31018 1 463 . 1 . 1 42 42 LEU HD21 H 1 0.790 0.000 . . . . . . A 42 LEU HD21 . 31018 1 464 . 1 . 1 42 42 LEU HD22 H 1 0.790 0.000 . . . . . . A 42 LEU HD22 . 31018 1 465 . 1 . 1 42 42 LEU HD23 H 1 0.790 0.000 . . . . . . A 42 LEU HD23 . 31018 1 466 . 1 . 1 42 42 LEU C C 13 175.041 0.000 . . . . . . A 42 LEU C . 31018 1 467 . 1 . 1 42 42 LEU CA C 13 54.655 0.000 . . . . . . A 42 LEU CA . 31018 1 468 . 1 . 1 42 42 LEU CB C 13 46.258 0.000 . . . . . . A 42 LEU CB . 31018 1 469 . 1 . 1 42 42 LEU CG C 13 27.737 0.000 . . . . . . A 42 LEU CG . 31018 1 470 . 1 . 1 42 42 LEU CD1 C 13 26.315 0.000 . . . . . . A 42 LEU CD1 . 31018 1 471 . 1 . 1 42 42 LEU CD2 C 13 25.000 0.000 . . . . . . A 42 LEU CD2 . 31018 1 472 . 1 . 1 42 42 LEU N N 15 125.879 0.000 . . . . . . A 42 LEU N . 31018 1 473 . 1 . 1 43 43 THR H H 1 8.031 0.000 . . . . . . A 43 THR H . 31018 1 474 . 1 . 1 43 43 THR HA H 1 5.244 0.000 . . . . . . A 43 THR HA . 31018 1 475 . 1 . 1 43 43 THR HB H 1 3.718 0.000 . . . . . . A 43 THR HB . 31018 1 476 . 1 . 1 43 43 THR HG21 H 1 1.067 0.000 . . . . . . A 43 THR HG21 . 31018 1 477 . 1 . 1 43 43 THR HG22 H 1 1.067 0.000 . . . . . . A 43 THR HG22 . 31018 1 478 . 1 . 1 43 43 THR HG23 H 1 1.067 0.000 . . . . . . A 43 THR HG23 . 31018 1 479 . 1 . 1 43 43 THR C C 13 173.678 0.000 . . . . . . A 43 THR C . 31018 1 480 . 1 . 1 43 43 THR CA C 13 61.697 0.000 . . . . . . A 43 THR CA . 31018 1 481 . 1 . 1 43 43 THR CB C 13 71.325 0.000 . . . . . . A 43 THR CB . 31018 1 482 . 1 . 1 43 43 THR CG2 C 13 22.102 0.000 . . . . . . A 43 THR CG2 . 31018 1 483 . 1 . 1 43 43 THR N N 15 115.575 0.000 . . . . . . A 43 THR N . 31018 1 484 . 1 . 1 44 44 PHE H H 1 8.927 0.000 . . . . . . A 44 PHE H . 31018 1 485 . 1 . 1 44 44 PHE HA H 1 4.883 0.000 . . . . . . A 44 PHE HA . 31018 1 486 . 1 . 1 44 44 PHE HB2 H 1 2.483 0.000 . . . . . . A 44 PHE HB2 . 31018 1 487 . 1 . 1 44 44 PHE HB3 H 1 3.078 0.000 . . . . . . A 44 PHE HB3 . 31018 1 488 . 1 . 1 44 44 PHE HD1 H 1 6.810 0.000 . . . . . . A 44 PHE HD1 . 31018 1 489 . 1 . 1 44 44 PHE HD2 H 1 6.810 0.000 . . . . . . A 44 PHE HD2 . 31018 1 490 . 1 . 1 44 44 PHE HE1 H 1 6.405 0.000 . . . . . . A 44 PHE HE1 . 31018 1 491 . 1 . 1 44 44 PHE HE2 H 1 6.405 0.000 . . . . . . A 44 PHE HE2 . 31018 1 492 . 1 . 1 44 44 PHE HZ H 1 6.640 0.000 . . . . . . A 44 PHE HZ . 31018 1 493 . 1 . 1 44 44 PHE C C 13 175.200 0.000 . . . . . . A 44 PHE C . 31018 1 494 . 1 . 1 44 44 PHE CA C 13 56.354 0.000 . . . . . . A 44 PHE CA . 31018 1 495 . 1 . 1 44 44 PHE CB C 13 44.227 0.000 . . . . . . A 44 PHE CB . 31018 1 496 . 1 . 1 44 44 PHE CD1 C 13 131.273 0.000 . . . . . . A 44 PHE CD1 . 31018 1 497 . 1 . 1 44 44 PHE CE1 C 13 131.014 0.000 . . . . . . A 44 PHE CE1 . 31018 1 498 . 1 . 1 44 44 PHE CZ C 13 129.460 0.000 . . . . . . A 44 PHE CZ . 31018 1 499 . 1 . 1 44 44 PHE N N 15 123.358 0.000 . . . . . . A 44 PHE N . 31018 1 500 . 1 . 1 45 45 ASP H H 1 8.427 0.000 . . . . . . A 45 ASP H . 31018 1 501 . 1 . 1 45 45 ASP HA H 1 4.805 0.000 . . . . . . A 45 ASP HA . 31018 1 502 . 1 . 1 45 45 ASP HB2 H 1 2.650 0.000 . . . . . . A 45 ASP HB2 . 31018 1 503 . 1 . 1 45 45 ASP HB3 H 1 2.878 0.000 . . . . . . A 45 ASP HB3 . 31018 1 504 . 1 . 1 45 45 ASP C C 13 177.297 0.000 . . . . . . A 45 ASP C . 31018 1 505 . 1 . 1 45 45 ASP CA C 13 55.341 0.000 . . . . . . A 45 ASP CA . 31018 1 506 . 1 . 1 45 45 ASP CB C 13 42.114 0.000 . . . . . . A 45 ASP CB . 31018 1 507 . 1 . 1 45 45 ASP N N 15 121.209 0.000 . . . . . . A 45 ASP N . 31018 1 508 . 1 . 1 46 46 ALA H H 1 8.749 0.000 . . . . . . A 46 ALA H . 31018 1 509 . 1 . 1 46 46 ALA HA H 1 3.795 0.000 . . . . . . A 46 ALA HA . 31018 1 510 . 1 . 1 46 46 ALA HB1 H 1 1.360 0.000 . . . . . . A 46 ALA HB1 . 31018 1 511 . 1 . 1 46 46 ALA HB2 H 1 1.360 0.000 . . . . . . A 46 ALA HB2 . 31018 1 512 . 1 . 1 46 46 ALA HB3 H 1 1.360 0.000 . . . . . . A 46 ALA HB3 . 31018 1 513 . 1 . 1 46 46 ALA C C 13 179.305 0.000 . . . . . . A 46 ALA C . 31018 1 514 . 1 . 1 46 46 ALA CA C 13 55.567 0.000 . . . . . . A 46 ALA CA . 31018 1 515 . 1 . 1 46 46 ALA CB C 13 19.284 0.000 . . . . . . A 46 ALA CB . 31018 1 516 . 1 . 1 46 46 ALA N N 15 128.447 0.000 . . . . . . A 46 ALA N . 31018 1 517 . 1 . 1 47 47 ARG H H 1 8.668 0.000 . . . . . . A 47 ARG H . 31018 1 518 . 1 . 1 47 47 ARG HA H 1 4.228 0.000 . . . . . . A 47 ARG HA . 31018 1 519 . 1 . 1 47 47 ARG HB2 H 1 1.969 0.000 . . . . . . A 47 ARG HB2 . 31018 1 520 . 1 . 1 47 47 ARG HB3 H 1 1.916 0.000 . . . . . . A 47 ARG HB3 . 31018 1 521 . 1 . 1 47 47 ARG HG2 H 1 1.723 0.000 . . . . . . A 47 ARG HG2 . 31018 1 522 . 1 . 1 47 47 ARG HG3 H 1 1.723 0.000 . . . . . . A 47 ARG HG3 . 31018 1 523 . 1 . 1 47 47 ARG HD2 H 1 3.286 0.000 . . . . . . A 47 ARG HD2 . 31018 1 524 . 1 . 1 47 47 ARG HD3 H 1 3.286 0.000 . . . . . . A 47 ARG HD3 . 31018 1 525 . 1 . 1 47 47 ARG C C 13 178.020 0.000 . . . . . . A 47 ARG C . 31018 1 526 . 1 . 1 47 47 ARG CA C 13 58.426 0.000 . . . . . . A 47 ARG CA . 31018 1 527 . 1 . 1 47 47 ARG CB C 13 29.974 0.000 . . . . . . A 47 ARG CB . 31018 1 528 . 1 . 1 47 47 ARG CG C 13 27.654 0.000 . . . . . . A 47 ARG CG . 31018 1 529 . 1 . 1 47 47 ARG CD C 13 43.813 0.000 . . . . . . A 47 ARG CD . 31018 1 530 . 1 . 1 47 47 ARG N N 15 114.359 0.000 . . . . . . A 47 ARG N . 31018 1 531 . 1 . 1 48 48 LEU H H 1 7.835 0.000 . . . . . . A 48 LEU H . 31018 1 532 . 1 . 1 48 48 LEU HA H 1 4.386 0.000 . . . . . . A 48 LEU HA . 31018 1 533 . 1 . 1 48 48 LEU HB2 H 1 1.944 0.000 . . . . . . A 48 LEU HB2 . 31018 1 534 . 1 . 1 48 48 LEU HB3 H 1 1.799 0.000 . . . . . . A 48 LEU HB3 . 31018 1 535 . 1 . 1 48 48 LEU HG H 1 1.729 0.000 . . . . . . A 48 LEU HG . 31018 1 536 . 1 . 1 48 48 LEU HD11 H 1 1.189 0.000 . . . . . . A 48 LEU HD11 . 31018 1 537 . 1 . 1 48 48 LEU HD12 H 1 1.189 0.000 . . . . . . A 48 LEU HD12 . 31018 1 538 . 1 . 1 48 48 LEU HD13 H 1 1.189 0.000 . . . . . . A 48 LEU HD13 . 31018 1 539 . 1 . 1 48 48 LEU HD21 H 1 0.963 0.000 . . . . . . A 48 LEU HD21 . 31018 1 540 . 1 . 1 48 48 LEU HD22 H 1 0.963 0.000 . . . . . . A 48 LEU HD22 . 31018 1 541 . 1 . 1 48 48 LEU HD23 H 1 0.963 0.000 . . . . . . A 48 LEU HD23 . 31018 1 542 . 1 . 1 48 48 LEU C C 13 177.181 0.000 . . . . . . A 48 LEU C . 31018 1 543 . 1 . 1 48 48 LEU CA C 13 55.774 0.000 . . . . . . A 48 LEU CA . 31018 1 544 . 1 . 1 48 48 LEU CB C 13 42.778 0.000 . . . . . . A 48 LEU CB . 31018 1 545 . 1 . 1 48 48 LEU CG C 13 27.737 0.000 . . . . . . A 48 LEU CG . 31018 1 546 . 1 . 1 48 48 LEU CD1 C 13 26.080 0.000 . . . . . . A 48 LEU CD1 . 31018 1 547 . 1 . 1 48 48 LEU CD2 C 13 22.800 0.000 . . . . . . A 48 LEU CD2 . 31018 1 548 . 1 . 1 48 48 LEU N N 15 118.436 0.000 . . . . . . A 48 LEU N . 31018 1 549 . 1 . 1 49 49 LEU H H 1 7.520 0.000 . . . . . . A 49 LEU H . 31018 1 550 . 1 . 1 49 49 LEU HA H 1 4.806 0.000 . . . . . . A 49 LEU HA . 31018 1 551 . 1 . 1 49 49 LEU HB2 H 1 1.337 0.000 . . . . . . A 49 LEU HB2 . 31018 1 552 . 1 . 1 49 49 LEU HB3 H 1 1.834 0.000 . . . . . . A 49 LEU HB3 . 31018 1 553 . 1 . 1 49 49 LEU HG H 1 1.517 0.000 . . . . . . A 49 LEU HG . 31018 1 554 . 1 . 1 49 49 LEU HD11 H 1 0.468 0.000 . . . . . . A 49 LEU HD11 . 31018 1 555 . 1 . 1 49 49 LEU HD12 H 1 0.468 0.000 . . . . . . A 49 LEU HD12 . 31018 1 556 . 1 . 1 49 49 LEU HD13 H 1 0.468 0.000 . . . . . . A 49 LEU HD13 . 31018 1 557 . 1 . 1 49 49 LEU HD21 H 1 0.644 0.000 . . . . . . A 49 LEU HD21 . 31018 1 558 . 1 . 1 49 49 LEU HD22 H 1 0.644 0.000 . . . . . . A 49 LEU HD22 . 31018 1 559 . 1 . 1 49 49 LEU HD23 H 1 0.644 0.000 . . . . . . A 49 LEU HD23 . 31018 1 560 . 1 . 1 49 49 LEU C C 13 176.969 0.000 . . . . . . A 49 LEU C . 31018 1 561 . 1 . 1 49 49 LEU CA C 13 54.738 0.000 . . . . . . A 49 LEU CA . 31018 1 562 . 1 . 1 49 49 LEU CB C 13 44.725 0.000 . . . . . . A 49 LEU CB . 31018 1 563 . 1 . 1 49 49 LEU CG C 13 26.743 0.000 . . . . . . A 49 LEU CG . 31018 1 564 . 1 . 1 49 49 LEU CD1 C 13 23.100 0.000 . . . . . . A 49 LEU CD1 . 31018 1 565 . 1 . 1 49 49 LEU CD2 C 13 26.000 0.000 . . . . . . A 49 LEU CD2 . 31018 1 566 . 1 . 1 49 49 LEU N N 15 118.229 0.000 . . . . . . A 49 LEU N . 31018 1 567 . 1 . 1 50 50 ARG H H 1 8.105 0.000 . . . . . . A 50 ARG H . 31018 1 568 . 1 . 1 50 50 ARG HA H 1 4.636 0.000 . . . . . . A 50 ARG HA . 31018 1 569 . 1 . 1 50 50 ARG HB2 H 1 1.834 0.000 . . . . . . A 50 ARG HB2 . 31018 1 570 . 1 . 1 50 50 ARG HB3 H 1 1.795 0.000 . . . . . . A 50 ARG HB3 . 31018 1 571 . 1 . 1 50 50 ARG HG2 H 1 1.664 0.000 . . . . . . A 50 ARG HG2 . 31018 1 572 . 1 . 1 50 50 ARG HG3 H 1 1.616 0.000 . . . . . . A 50 ARG HG3 . 31018 1 573 . 1 . 1 50 50 ARG HD2 H 1 3.241 0.000 . . . . . . A 50 ARG HD2 . 31018 1 574 . 1 . 1 50 50 ARG HD3 H 1 3.166 0.000 . . . . . . A 50 ARG HD3 . 31018 1 575 . 1 . 1 50 50 ARG C C 13 176.591 0.000 . . . . . . A 50 ARG C . 31018 1 576 . 1 . 1 50 50 ARG CA C 13 55.484 0.000 . . . . . . A 50 ARG CA . 31018 1 577 . 1 . 1 50 50 ARG CB C 13 32.046 0.000 . . . . . . A 50 ARG CB . 31018 1 578 . 1 . 1 50 50 ARG CG C 13 27.488 0.000 . . . . . . A 50 ARG CG . 31018 1 579 . 1 . 1 50 50 ARG CD C 13 43.896 0.000 . . . . . . A 50 ARG CD . 31018 1 580 . 1 . 1 50 50 ARG N N 15 117.988 0.000 . . . . . . A 50 ARG N . 31018 1 581 . 1 . 1 51 51 VAL H H 1 8.161 0.001 . . . . . . A 51 VAL H . 31018 1 582 . 1 . 1 51 51 VAL HA H 1 4.124 0.000 . . . . . . A 51 VAL HA . 31018 1 583 . 1 . 1 51 51 VAL HB H 1 2.003 0.000 . . . . . . A 51 VAL HB . 31018 1 584 . 1 . 1 51 51 VAL HG11 H 1 0.828 0.000 . . . . . . A 51 VAL HG11 . 31018 1 585 . 1 . 1 51 51 VAL HG12 H 1 0.828 0.000 . . . . . . A 51 VAL HG12 . 31018 1 586 . 1 . 1 51 51 VAL HG13 H 1 0.828 0.000 . . . . . . A 51 VAL HG13 . 31018 1 587 . 1 . 1 51 51 VAL HG21 H 1 0.790 0.000 . . . . . . A 51 VAL HG21 . 31018 1 588 . 1 . 1 51 51 VAL HG22 H 1 0.790 0.000 . . . . . . A 51 VAL HG22 . 31018 1 589 . 1 . 1 51 51 VAL HG23 H 1 0.790 0.000 . . . . . . A 51 VAL HG23 . 31018 1 590 . 1 . 1 51 51 VAL C C 13 176.408 0.000 . . . . . . A 51 VAL C . 31018 1 591 . 1 . 1 51 51 VAL CA C 13 63.375 0.000 . . . . . . A 51 VAL CA . 31018 1 592 . 1 . 1 51 51 VAL CB C 13 32.709 0.000 . . . . . . A 51 VAL CB . 31018 1 593 . 1 . 1 51 51 VAL CG1 C 13 21.770 0.000 . . . . . . A 51 VAL CG1 . 31018 1 594 . 1 . 1 51 51 VAL CG2 C 13 21.439 0.000 . . . . . . A 51 VAL CG2 . 31018 1 595 . 1 . 1 51 51 VAL N N 15 121.334 0.000 . . . . . . A 51 VAL N . 31018 1 596 . 1 . 1 52 52 LYS H H 1 8.276 0.001 . . . . . . A 52 LYS H . 31018 1 597 . 1 . 1 52 52 LYS HA H 1 4.165 0.000 . . . . . . A 52 LYS HA . 31018 1 598 . 1 . 1 52 52 LYS HB2 H 1 1.708 0.000 . . . . . . A 52 LYS HB2 . 31018 1 599 . 1 . 1 52 52 LYS HB3 H 1 1.620 0.000 . . . . . . A 52 LYS HB3 . 31018 1 600 . 1 . 1 52 52 LYS HG2 H 1 1.282 0.000 . . . . . . A 52 LYS HG2 . 31018 1 601 . 1 . 1 52 52 LYS HG3 H 1 1.282 0.000 . . . . . . A 52 LYS HG3 . 31018 1 602 . 1 . 1 52 52 LYS HD2 H 1 1.578 0.000 . . . . . . A 52 LYS HD2 . 31018 1 603 . 1 . 1 52 52 LYS HD3 H 1 1.578 0.000 . . . . . . A 52 LYS HD3 . 31018 1 604 . 1 . 1 52 52 LYS HE2 H 1 2.832 0.000 . . . . . . A 52 LYS HE2 . 31018 1 605 . 1 . 1 52 52 LYS HE3 H 1 2.832 0.000 . . . . . . A 52 LYS HE3 . 31018 1 606 . 1 . 1 52 52 LYS C C 13 176.674 0.000 . . . . . . A 52 LYS C . 31018 1 607 . 1 . 1 52 52 LYS CA C 13 57.721 0.000 . . . . . . A 52 LYS CA . 31018 1 608 . 1 . 1 52 52 LYS CB C 13 33.127 0.000 . . . . . . A 52 LYS CB . 31018 1 609 . 1 . 1 52 52 LYS CG C 13 25.500 0.000 . . . . . . A 52 LYS CG . 31018 1 610 . 1 . 1 52 52 LYS CD C 13 29.525 0.000 . . . . . . A 52 LYS CD . 31018 1 611 . 1 . 1 52 52 LYS CE C 13 42.191 0.000 . . . . . . A 52 LYS CE . 31018 1 612 . 1 . 1 52 52 LYS N N 15 125.967 0.000 . . . . . . A 52 LYS N . 31018 1 613 . 1 . 1 53 53 LYS H H 1 8.170 0.001 . . . . . . A 53 LYS H . 31018 1 614 . 1 . 1 53 53 LYS HA H 1 4.304 0.000 . . . . . . A 53 LYS HA . 31018 1 615 . 1 . 1 53 53 LYS HB2 H 1 1.758 0.000 . . . . . . A 53 LYS HB2 . 31018 1 616 . 1 . 1 53 53 LYS HB3 H 1 1.758 0.000 . . . . . . A 53 LYS HB3 . 31018 1 617 . 1 . 1 53 53 LYS HG2 H 1 1.389 0.000 . . . . . . A 53 LYS HG2 . 31018 1 618 . 1 . 1 53 53 LYS HG3 H 1 1.336 0.000 . . . . . . A 53 LYS HG3 . 31018 1 619 . 1 . 1 53 53 LYS HD2 H 1 1.658 0.000 . . . . . . A 53 LYS HD2 . 31018 1 620 . 1 . 1 53 53 LYS HD3 H 1 1.658 0.000 . . . . . . A 53 LYS HD3 . 31018 1 621 . 1 . 1 53 53 LYS HE2 H 1 2.952 0.000 . . . . . . A 53 LYS HE2 . 31018 1 622 . 1 . 1 53 53 LYS HE3 H 1 2.952 0.000 . . . . . . A 53 LYS HE3 . 31018 1 623 . 1 . 1 53 53 LYS C C 13 176.523 0.000 . . . . . . A 53 LYS C . 31018 1 624 . 1 . 1 53 53 LYS CA C 13 57.042 0.000 . . . . . . A 53 LYS CA . 31018 1 625 . 1 . 1 53 53 LYS CB C 13 33.248 0.000 . . . . . . A 53 LYS CB . 31018 1 626 . 1 . 1 53 53 LYS CG C 13 25.002 0.000 . . . . . . A 53 LYS CG . 31018 1 627 . 1 . 1 53 53 LYS CD C 13 29.560 0.000 . . . . . . A 53 LYS CD . 31018 1 628 . 1 . 1 53 53 LYS CE C 13 42.514 0.000 . . . . . . A 53 LYS CE . 31018 1 629 . 1 . 1 53 53 LYS N N 15 121.912 0.000 . . . . . . A 53 LYS N . 31018 1 630 . 1 . 1 54 54 TRP H H 1 8.034 0.004 . . . . . . A 54 TRP H . 31018 1 631 . 1 . 1 54 54 TRP HA H 1 4.651 0.000 . . . . . . A 54 TRP HA . 31018 1 632 . 1 . 1 54 54 TRP HB2 H 1 3.315 0.000 . . . . . . A 54 TRP HB2 . 31018 1 633 . 1 . 1 54 54 TRP HB3 H 1 3.230 0.000 . . . . . . A 54 TRP HB3 . 31018 1 634 . 1 . 1 54 54 TRP HD1 H 1 7.200 0.000 . . . . . . A 54 TRP HD1 . 31018 1 635 . 1 . 1 54 54 TRP HE1 H 1 10.105 0.000 . . . . . . A 54 TRP HE1 . 31018 1 636 . 1 . 1 54 54 TRP HE3 H 1 7.520 0.002 . . . . . . A 54 TRP HE3 . 31018 1 637 . 1 . 1 54 54 TRP HZ2 H 1 7.360 0.000 . . . . . . A 54 TRP HZ2 . 31018 1 638 . 1 . 1 54 54 TRP HZ3 H 1 6.982 0.000 . . . . . . A 54 TRP HZ3 . 31018 1 639 . 1 . 1 54 54 TRP HH2 H 1 7.076 0.000 . . . . . . A 54 TRP HH2 . 31018 1 640 . 1 . 1 54 54 TRP C C 13 176.581 0.000 . . . . . . A 54 TRP C . 31018 1 641 . 1 . 1 54 54 TRP CA C 13 58.105 0.000 . . . . . . A 54 TRP CA . 31018 1 642 . 1 . 1 54 54 TRP CB C 13 29.809 0.000 . . . . . . A 54 TRP CB . 31018 1 643 . 1 . 1 54 54 TRP CD1 C 13 127.388 0.000 . . . . . . A 54 TRP CD1 . 31018 1 644 . 1 . 1 54 54 TRP CE3 C 13 120.900 0.000 . . . . . . A 54 TRP CE3 . 31018 1 645 . 1 . 1 54 54 TRP CZ2 C 13 114.700 0.000 . . . . . . A 54 TRP CZ2 . 31018 1 646 . 1 . 1 54 54 TRP CZ3 C 13 122.468 0.000 . . . . . . A 54 TRP CZ3 . 31018 1 647 . 1 . 1 54 54 TRP CH2 C 13 124.799 0.000 . . . . . . A 54 TRP CH2 . 31018 1 648 . 1 . 1 54 54 TRP N N 15 122.287 0.000 . . . . . . A 54 TRP N . 31018 1 649 . 1 . 1 54 54 TRP NE1 N 15 129.337 0.000 . . . . . . A 54 TRP NE1 . 31018 1 650 . 1 . 1 55 55 LEU H H 1 8.057 0.001 . . . . . . A 55 LEU H . 31018 1 651 . 1 . 1 55 55 LEU HA H 1 4.230 0.000 . . . . . . A 55 LEU HA . 31018 1 652 . 1 . 1 55 55 LEU HB2 H 1 1.550 0.000 . . . . . . A 55 LEU HB2 . 31018 1 653 . 1 . 1 55 55 LEU HB3 H 1 1.471 0.000 . . . . . . A 55 LEU HB3 . 31018 1 654 . 1 . 1 55 55 LEU HG H 1 1.502 0.000 . . . . . . A 55 LEU HG . 31018 1 655 . 1 . 1 55 55 LEU HD11 H 1 0.838 0.000 . . . . . . A 55 LEU HD11 . 31018 1 656 . 1 . 1 55 55 LEU HD12 H 1 0.838 0.000 . . . . . . A 55 LEU HD12 . 31018 1 657 . 1 . 1 55 55 LEU HD13 H 1 0.838 0.000 . . . . . . A 55 LEU HD13 . 31018 1 658 . 1 . 1 55 55 LEU HD21 H 1 0.794 0.000 . . . . . . A 55 LEU HD21 . 31018 1 659 . 1 . 1 55 55 LEU HD22 H 1 0.794 0.000 . . . . . . A 55 LEU HD22 . 31018 1 660 . 1 . 1 55 55 LEU HD23 H 1 0.794 0.000 . . . . . . A 55 LEU HD23 . 31018 1 661 . 1 . 1 55 55 LEU C C 13 177.355 0.000 . . . . . . A 55 LEU C . 31018 1 662 . 1 . 1 55 55 LEU CA C 13 55.774 0.000 . . . . . . A 55 LEU CA . 31018 1 663 . 1 . 1 55 55 LEU CB C 13 42.694 0.000 . . . . . . A 55 LEU CB . 31018 1 664 . 1 . 1 55 55 LEU CG C 13 27.157 0.000 . . . . . . A 55 LEU CG . 31018 1 665 . 1 . 1 55 55 LEU CD1 C 13 25.085 0.000 . . . . . . A 55 LEU CD1 . 31018 1 666 . 1 . 1 55 55 LEU CD2 C 13 23.800 0.000 . . . . . . A 55 LEU CD2 . 31018 1 667 . 1 . 1 55 55 LEU N N 15 122.691 0.000 . . . . . . A 55 LEU N . 31018 1 668 . 1 . 1 56 56 GLU H H 1 8.094 0.000 . . . . . . A 56 GLU H . 31018 1 669 . 1 . 1 56 56 GLU HA H 1 4.138 0.000 . . . . . . A 56 GLU HA . 31018 1 670 . 1 . 1 56 56 GLU HB2 H 1 1.924 0.000 . . . . . . A 56 GLU HB2 . 31018 1 671 . 1 . 1 56 56 GLU HB3 H 1 1.924 0.000 . . . . . . A 56 GLU HB3 . 31018 1 672 . 1 . 1 56 56 GLU HG2 H 1 2.244 0.000 . . . . . . A 56 GLU HG2 . 31018 1 673 . 1 . 1 56 56 GLU HG3 H 1 2.168 0.000 . . . . . . A 56 GLU HG3 . 31018 1 674 . 1 . 1 56 56 GLU C C 13 177.644 0.000 . . . . . . A 56 GLU C . 31018 1 675 . 1 . 1 56 56 GLU CA C 13 57.405 0.000 . . . . . . A 56 GLU CA . 31018 1 676 . 1 . 1 56 56 GLU CB C 13 30.537 0.000 . . . . . . A 56 GLU CB . 31018 1 677 . 1 . 1 56 56 GLU CG C 13 36.688 0.000 . . . . . . A 56 GLU CG . 31018 1 678 . 1 . 1 56 56 GLU N N 15 120.561 0.000 . . . . . . A 56 GLU N . 31018 1 679 . 1 . 1 57 57 HIS H H 1 7.908 0.000 . . . . . . A 57 HIS H . 31018 1 680 . 1 . 1 57 57 HIS C C 13 177.113 0.000 . . . . . . A 57 HIS C . 31018 1 681 . 1 . 1 57 57 HIS N N 15 115.796 0.000 . . . . . . A 57 HIS N . 31018 1 682 . 1 . 1 58 58 HIS H H 1 7.933 0.000 . . . . . . A 58 HIS H . 31018 1 683 . 1 . 1 58 58 HIS N N 15 121.680 0.000 . . . . . . A 58 HIS N . 31018 1 684 . 1 . 1 59 59 HIS C C 13 178.282 0.000 . . . . . . A 59 HIS C . 31018 1 685 . 1 . 1 60 60 HIS H H 1 8.340 0.000 . . . . . . A 60 HIS H . 31018 1 686 . 1 . 1 60 60 HIS N N 15 114.439 0.000 . . . . . . A 60 HIS N . 31018 1 687 . 1 . 1 61 61 HIS HA H 1 4.587 0.000 . . . . . . A 61 HIS HA . 31018 1 688 . 1 . 1 61 61 HIS HB2 H 1 3.045 0.000 . . . . . . A 61 HIS HB2 . 31018 1 689 . 1 . 1 61 61 HIS HB3 H 1 3.045 0.000 . . . . . . A 61 HIS HB3 . 31018 1 690 . 1 . 1 61 61 HIS C C 13 174.195 0.000 . . . . . . A 61 HIS C . 31018 1 691 . 1 . 1 61 61 HIS CA C 13 56.404 0.000 . . . . . . A 61 HIS CA . 31018 1 692 . 1 . 1 61 61 HIS CB C 13 30.803 0.000 . . . . . . A 61 HIS CB . 31018 1 693 . 1 . 1 62 62 HIS H H 1 7.994 0.001 . . . . . . A 62 HIS H . 31018 1 694 . 1 . 1 62 62 HIS N N 15 125.389 0.000 . . . . . . A 62 HIS N . 31018 1 stop_ save_