################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4688 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4688 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 ARG HA H 1 4.26 0.005 . 1 . . . . . . . . 4688 1 2 . 1 1 2 2 ARG HB2 H 1 1.635 0.005 . 1 . . . . . . . . 4688 1 3 . 1 1 2 2 ARG HG2 H 1 1.508 0.005 . 1 . . . . . . . . 4688 1 4 . 1 1 2 2 ARG HD2 H 1 3.06 0.005 . 1 . . . . . . . . 4688 1 5 . 1 1 2 2 ARG CA C 13 56.156 0.05 . 1 . . . . . . . . 4688 1 6 . 1 1 2 2 ARG CB C 13 31.083 0.05 . 1 . . . . . . . . 4688 1 7 . 1 1 2 2 ARG CG C 13 26.814 0.05 . 1 . . . . . . . . 4688 1 8 . 1 1 2 2 ARG CD C 13 43.235 0.05 . 1 . . . . . . . . 4688 1 9 . 1 1 3 3 LEU H H 1 8.448 0.005 . 1 . . . . . . . . 4688 1 10 . 1 1 3 3 LEU HA H 1 4.546 0.005 . 1 . . . . . . . . 4688 1 11 . 1 1 3 3 LEU HB2 H 1 1.728 0.005 . 2 . . . . . . . . 4688 1 12 . 1 1 3 3 LEU HB3 H 1 1.665 0.005 . 2 . . . . . . . . 4688 1 13 . 1 1 3 3 LEU HG H 1 1.498 0.005 . 1 . . . . . . . . 4688 1 14 . 1 1 3 3 LEU HD11 H 1 0.94 0.005 . 1 . . . . . . . . 4688 1 15 . 1 1 3 3 LEU HD12 H 1 0.94 0.005 . 1 . . . . . . . . 4688 1 16 . 1 1 3 3 LEU HD13 H 1 0.94 0.005 . 1 . . . . . . . . 4688 1 17 . 1 1 3 3 LEU CA C 13 54.984 0.05 . 1 . . . . . . . . 4688 1 18 . 1 1 3 3 LEU CB C 13 42.667 0.05 . 1 . . . . . . . . 4688 1 19 . 1 1 3 3 LEU CG C 13 24.968 0.05 . 1 . . . . . . . . 4688 1 20 . 1 1 3 3 LEU CD1 C 13 23.398 0.05 . 1 . . . . . . . . 4688 1 21 . 1 1 3 3 LEU N N 15 125.146 0.05 . 1 . . . . . . . . 4688 1 22 . 1 1 4 4 THR H H 1 8.31 0.005 . 1 . . . . . . . . 4688 1 23 . 1 1 4 4 THR HA H 1 4.4 0.005 . 1 . . . . . . . . 4688 1 24 . 1 1 4 4 THR HB H 1 4.397 0.005 . 1 . . . . . . . . 4688 1 25 . 1 1 4 4 THR HG21 H 1 1.297 0.005 . 1 . . . . . . . . 4688 1 26 . 1 1 4 4 THR HG22 H 1 1.297 0.005 . 1 . . . . . . . . 4688 1 27 . 1 1 4 4 THR HG23 H 1 1.297 0.005 . 1 . . . . . . . . 4688 1 28 . 1 1 4 4 THR CA C 13 61.511 0.05 . 1 . . . . . . . . 4688 1 29 . 1 1 4 4 THR CB C 13 70.353 0.05 . 1 . . . . . . . . 4688 1 30 . 1 1 4 4 THR CG2 C 13 21.554 0.05 . 1 . . . . . . . . 4688 1 31 . 1 1 4 4 THR N N 15 115.663 0.05 . 1 . . . . . . . . 4688 1 32 . 1 1 5 5 ALA H H 1 8.469 0.005 . 1 . . . . . . . . 4688 1 33 . 1 1 5 5 ALA HA H 1 3.852 0.005 . 1 . . . . . . . . 4688 1 34 . 1 1 5 5 ALA HB1 H 1 1.547 0.005 . 1 . . . . . . . . 4688 1 35 . 1 1 5 5 ALA HB2 H 1 1.547 0.005 . 1 . . . . . . . . 4688 1 36 . 1 1 5 5 ALA HB3 H 1 1.547 0.005 . 1 . . . . . . . . 4688 1 37 . 1 1 5 5 ALA CA C 13 53.652 0.05 . 1 . . . . . . . . 4688 1 38 . 1 1 5 5 ALA CB C 13 19.045 0.05 . 1 . . . . . . . . 4688 1 39 . 1 1 5 5 ALA N N 15 125.85 0.05 . 1 . . . . . . . . 4688 1 40 . 1 1 6 6 TYR H H 1 8.074 0.005 . 1 . . . . . . . . 4688 1 41 . 1 1 6 6 TYR HA H 1 4.484 0.005 . 1 . . . . . . . . 4688 1 42 . 1 1 6 6 TYR HB2 H 1 3.084 0.005 . 1 . . . . . . . . 4688 1 43 . 1 1 6 6 TYR HD1 H 1 7.169 0.005 . 1 . . . . . . . . 4688 1 44 . 1 1 6 6 TYR HE1 H 1 6.914 0.005 . 1 . . . . . . . . 4688 1 45 . 1 1 6 6 TYR CA C 13 58.983 0.05 . 1 . . . . . . . . 4688 1 46 . 1 1 6 6 TYR CB C 13 38.535 0.05 . 1 . . . . . . . . 4688 1 47 . 1 1 6 6 TYR N N 15 119.279 0.05 . 1 . . . . . . . . 4688 1 48 . 1 1 7 7 GLU H H 1 8.039 0.005 . 1 . . . . . . . . 4688 1 49 . 1 1 7 7 GLU HA H 1 4.167 0.005 . 1 . . . . . . . . 4688 1 50 . 1 1 7 7 GLU HB2 H 1 2.095 0.005 . 1 . . . . . . . . 4688 1 51 . 1 1 7 7 GLU HG2 H 1 2.333 0.005 . 1 . . . . . . . . 4688 1 52 . 1 1 7 7 GLU CA C 13 57.29 0.05 . 1 . . . . . . . . 4688 1 53 . 1 1 7 7 GLU CB C 13 30.575 0.05 . 1 . . . . . . . . 4688 1 54 . 1 1 7 7 GLU CG C 13 36.633 0.05 . 1 . . . . . . . . 4688 1 55 . 1 1 7 7 GLU N N 15 122.087 0.05 . 1 . . . . . . . . 4688 1 56 . 1 1 8 8 ARG H H 1 8.263 0.005 . 1 . . . . . . . . 4688 1 57 . 1 1 8 8 ARG HA H 1 4.256 0.005 . 1 . . . . . . . . 4688 1 58 . 1 1 8 8 ARG HB2 H 1 1.955 0.005 . 2 . . . . . . . . 4688 1 59 . 1 1 8 8 ARG HB3 H 1 1.851 0.005 . 2 . . . . . . . . 4688 1 60 . 1 1 8 8 ARG HG2 H 1 1.765 0.005 . 2 . . . . . . . . 4688 1 61 . 1 1 8 8 ARG HG3 H 1 1.658 0.005 . 2 . . . . . . . . 4688 1 62 . 1 1 8 8 ARG HD2 H 1 3.281 0.005 . 2 . . . . . . . . 4688 1 63 . 1 1 8 8 ARG HD3 H 1 3.242 0.005 . 2 . . . . . . . . 4688 1 64 . 1 1 8 8 ARG CA C 13 57.313 0.05 . 1 . . . . . . . . 4688 1 65 . 1 1 8 8 ARG CB C 13 30.58 0.05 . 1 . . . . . . . . 4688 1 66 . 1 1 8 8 ARG CG C 13 27.347 0.05 . 1 . . . . . . . . 4688 1 67 . 1 1 8 8 ARG CD C 13 43.271 0.05 . 1 . . . . . . . . 4688 1 68 . 1 1 8 8 ARG N N 15 121.628 0.05 . 1 . . . . . . . . 4688 1 69 . 1 1 9 9 ARG H H 1 8.055 0.005 . 1 . . . . . . . . 4688 1 70 . 1 1 9 9 ARG HA H 1 3.836 0.005 . 1 . . . . . . . . 4688 1 71 . 1 1 9 9 ARG HB2 H 1 1.982 0.005 . 1 . . . . . . . . 4688 1 72 . 1 1 9 9 ARG HG2 H 1 1.795 0.005 . 2 . . . . . . . . 4688 1 73 . 1 1 9 9 ARG HG3 H 1 1.72 0.005 . 2 . . . . . . . . 4688 1 74 . 1 1 9 9 ARG HD2 H 1 3.322 0.005 . 1 . . . . . . . . 4688 1 75 . 1 1 9 9 ARG CA C 13 57.106 0.05 . 1 . . . . . . . . 4688 1 76 . 1 1 9 9 ARG CB C 13 30.565 0.05 . 1 . . . . . . . . 4688 1 77 . 1 1 9 9 ARG CG C 13 27.155 0.05 . 1 . . . . . . . . 4688 1 78 . 1 1 9 9 ARG CD C 13 43.383 0.05 . 1 . . . . . . . . 4688 1 79 . 1 1 9 9 ARG N N 15 121.363 0.05 . 1 . . . . . . . . 4688 1 80 . 1 1 10 10 LYS H H 1 8.016 0.005 . 1 . . . . . . . . 4688 1 81 . 1 1 10 10 LYS HA H 1 4.228 0.005 . 1 . . . . . . . . 4688 1 82 . 1 1 10 10 LYS HB2 H 1 1.699 0.005 . 1 . . . . . . . . 4688 1 83 . 1 1 10 10 LYS HG2 H 1 1.347 0.005 . 2 . . . . . . . . 4688 1 84 . 1 1 10 10 LYS HG3 H 1 1.266 0.005 . 2 . . . . . . . . 4688 1 85 . 1 1 10 10 LYS HD2 H 1 1.241 0.005 . 1 . . . . . . . . 4688 1 86 . 1 1 10 10 LYS HE2 H 1 2.979 0.005 . 1 . . . . . . . . 4688 1 87 . 1 1 10 10 LYS CA C 13 56.652 0.05 . 1 . . . . . . . . 4688 1 88 . 1 1 10 10 LYS CB C 13 32.678 0.05 . 1 . . . . . . . . 4688 1 89 . 1 1 10 10 LYS CG C 13 24.51 0.05 . 1 . . . . . . . . 4688 1 90 . 1 1 10 10 LYS CD C 13 28.973 0.05 . 1 . . . . . . . . 4688 1 91 . 1 1 10 10 LYS CE C 13 41.902 0.05 . 1 . . . . . . . . 4688 1 92 . 1 1 10 10 LYS N N 15 121.566 0.05 . 1 . . . . . . . . 4688 1 93 . 1 1 11 11 PHE H H 1 8.028 0.005 . 1 . . . . . . . . 4688 1 94 . 1 1 11 11 PHE HA H 1 4.662 0.005 . 1 . . . . . . . . 4688 1 95 . 1 1 11 11 PHE HB2 H 1 3.232 0.005 . 2 . . . . . . . . 4688 1 96 . 1 1 11 11 PHE HB3 H 1 3.094 0.005 . 2 . . . . . . . . 4688 1 97 . 1 1 11 11 PHE HD1 H 1 7.318 0.005 . 1 . . . . . . . . 4688 1 98 . 1 1 11 11 PHE HE1 H 1 7.406 0.005 . 1 . . . . . . . . 4688 1 99 . 1 1 11 11 PHE HZ H 1 7.363 0.005 . 1 . . . . . . . . 4688 1 100 . 1 1 11 11 PHE CA C 13 57.852 0.05 . 1 . . . . . . . . 4688 1 101 . 1 1 11 11 PHE CB C 13 39.525 0.05 . 1 . . . . . . . . 4688 1 102 . 1 1 11 11 PHE N N 15 120.693 0.05 . 1 . . . . . . . . 4688 1 103 . 1 1 12 12 ARG H H 1 8.078 0.005 . 1 . . . . . . . . 4688 1 104 . 1 1 12 12 ARG HA H 1 4.347 0.005 . 1 . . . . . . . . 4688 1 105 . 1 1 12 12 ARG HB2 H 1 1.837 0.005 . 1 . . . . . . . . 4688 1 106 . 1 1 12 12 ARG HG2 H 1 1.639 0.005 . 1 . . . . . . . . 4688 1 107 . 1 1 12 12 ARG HD2 H 1 3.237 0.005 . 1 . . . . . . . . 4688 1 108 . 1 1 12 12 ARG CA C 13 56.398 0.05 . 1 . . . . . . . . 4688 1 109 . 1 1 12 12 ARG CB C 13 30.942 0.05 . 1 . . . . . . . . 4688 1 110 . 1 1 12 12 ARG CG C 13 26.956 0.05 . 1 . . . . . . . . 4688 1 111 . 1 1 12 12 ARG CD C 13 43.271 0.05 . 1 . . . . . . . . 4688 1 112 . 1 1 12 12 ARG N N 15 122.871 0.05 . 1 . . . . . . . . 4688 1 113 . 1 1 13 13 VAL H H 1 8.102 0.005 . 1 . . . . . . . . 4688 1 114 . 1 1 13 13 VAL HA H 1 4.123 0.005 . 1 . . . . . . . . 4688 1 115 . 1 1 13 13 VAL HB H 1 2.14 0.005 . 1 . . . . . . . . 4688 1 116 . 1 1 13 13 VAL HG11 H 1 1.039 0.005 . 2 . . . . . . . . 4688 1 117 . 1 1 13 13 VAL HG12 H 1 1.039 0.005 . 2 . . . . . . . . 4688 1 118 . 1 1 13 13 VAL HG13 H 1 1.039 0.005 . 2 . . . . . . . . 4688 1 119 . 1 1 13 13 VAL HG21 H 1 1.005 0.005 . 2 . . . . . . . . 4688 1 120 . 1 1 13 13 VAL HG22 H 1 1.005 0.005 . 2 . . . . . . . . 4688 1 121 . 1 1 13 13 VAL HG23 H 1 1.005 0.005 . 2 . . . . . . . . 4688 1 122 . 1 1 13 13 VAL CA C 13 62.806 0.05 . 1 . . . . . . . . 4688 1 123 . 1 1 13 13 VAL CB C 13 32.564 0.05 . 1 . . . . . . . . 4688 1 124 . 1 1 13 13 VAL CG1 C 13 20.635 0.050 . 2 . . . . . . . . 4688 1 125 . 1 1 13 13 VAL CG2 C 13 21.033 0.05 . 2 . . . . . . . . 4688 1 126 . 1 1 13 13 VAL N N 15 121.857 0.05 . 1 . . . . . . . . 4688 1 127 . 1 1 14 14 ARG H H 1 8.348 0.005 . 1 . . . . . . . . 4688 1 128 . 1 1 14 14 ARG HA H 1 4.405 0.005 . 1 . . . . . . . . 4688 1 129 . 1 1 14 14 ARG HB2 H 1 1.912 0.005 . 2 . . . . . . . . 4688 1 130 . 1 1 14 14 ARG HB3 H 1 1.847 0.005 . 2 . . . . . . . . 4688 1 131 . 1 1 14 14 ARG HG2 H 1 1.714 0.005 . 1 . . . . . . . . 4688 1 132 . 1 1 14 14 ARG HD2 H 1 3.23 0.005 . 1 . . . . . . . . 4688 1 133 . 1 1 14 14 ARG CA C 13 56.4 0.05 . 1 . . . . . . . . 4688 1 134 . 1 1 14 14 ARG CB C 13 30.801 0.05 . 1 . . . . . . . . 4688 1 135 . 1 1 14 14 ARG CG C 13 27.071 0.05 . 1 . . . . . . . . 4688 1 136 . 1 1 14 14 ARG CD C 13 43.261 0.05 . 1 . . . . . . . . 4688 1 137 . 1 1 14 14 ARG N N 15 125.034 0.05 . 1 . . . . . . . . 4688 1 138 . 1 1 15 15 ASN H H 1 8.428 0.005 . 1 . . . . . . . . 4688 1 139 . 1 1 15 15 ASN HA H 1 4.741 0.005 . 1 . . . . . . . . 4688 1 140 . 1 1 15 15 ASN HB2 H 1 2.88 0.005 . 2 . . . . . . . . 4688 1 141 . 1 1 15 15 ASN HB3 H 1 2.817 0.005 . 2 . . . . . . . . 4688 1 142 . 1 1 15 15 ASN HD21 H 1 7.582 0.005 . 1 . . . . . . . . 4688 1 143 . 1 1 15 15 ASN HD22 H 1 6.875 0.005 . 1 . . . . . . . . 4688 1 144 . 1 1 15 15 ASN CA C 13 53.312 0.05 . 1 . . . . . . . . 4688 1 145 . 1 1 15 15 ASN CB C 13 38.576 0.05 . 1 . . . . . . . . 4688 1 146 . 1 1 15 15 ASN N N 15 120.417 0.05 . 1 . . . . . . . . 4688 1 147 . 1 1 15 15 ASN ND2 N 15 113.629 0.05 . 1 . . . . . . . . 4688 1 148 . 1 1 16 16 ARG HA H 1 4.198 0.005 . 1 . . . . . . . . 4688 1 149 . 1 1 16 16 ARG HB2 H 1 1.709 0.005 . 1 . . . . . . . . 4688 1 150 . 1 1 16 16 ARG HG2 H 1 1.494 0.005 . 1 . . . . . . . . 4688 1 151 . 1 1 16 16 ARG HD2 H 1 3.093 0.005 . 1 . . . . . . . . 4688 1 152 . 1 1 16 16 ARG CA C 13 56.4 0.05 . 1 . . . . . . . . 4688 1 153 . 1 1 16 16 ARG CB C 13 30.801 0.05 . 1 . . . . . . . . 4688 1 154 . 1 1 16 16 ARG CG C 13 27.071 0.05 . 1 . . . . . . . . 4688 1 155 . 1 1 16 16 ARG CD C 13 43.261 0.05 . 1 . . . . . . . . 4688 1 156 . 1 1 17 17 ILE H H 1 8.118 0.005 . 1 . . . . . . . . 4688 1 157 . 1 1 17 17 ILE HA H 1 4.21 0.005 . 1 . . . . . . . . 4688 1 158 . 1 1 17 17 ILE HB H 1 1.94 0.005 . 1 . . . . . . . . 4688 1 159 . 1 1 17 17 ILE HG12 H 1 1.546 0.005 . 2 . . . . . . . . 4688 1 160 . 1 1 17 17 ILE HG13 H 1 1.275 0.005 . 2 . . . . . . . . 4688 1 161 . 1 1 17 17 ILE HG21 H 1 0.972 0.005 . 1 . . . . . . . . 4688 1 162 . 1 1 17 17 ILE HG22 H 1 0.972 0.005 . 1 . . . . . . . . 4688 1 163 . 1 1 17 17 ILE HG23 H 1 0.972 0.005 . 1 . . . . . . . . 4688 1 164 . 1 1 17 17 ILE HD11 H 1 0.94 0.005 . 1 . . . . . . . . 4688 1 165 . 1 1 17 17 ILE HD12 H 1 0.94 0.005 . 1 . . . . . . . . 4688 1 166 . 1 1 17 17 ILE HD13 H 1 0.94 0.005 . 1 . . . . . . . . 4688 1 167 . 1 1 17 17 ILE CA C 13 61.152 0.05 . 1 . . . . . . . . 4688 1 168 . 1 1 17 17 ILE CB C 13 38.53 0.05 . 1 . . . . . . . . 4688 1 169 . 1 1 17 17 ILE CG1 C 13 27.302 0.05 . 1 . . . . . . . . 4688 1 170 . 1 1 17 17 ILE CG2 C 13 17.393 0.05 . 1 . . . . . . . . 4688 1 171 . 1 1 17 17 ILE CD1 C 13 12.632 0.05 . 1 . . . . . . . . 4688 1 172 . 1 1 17 17 ILE N N 15 122.659 0.05 . 1 . . . . . . . . 4688 1 173 . 1 1 18 18 LYS H H 1 8.352 0.005 . 1 . . . . . . . . 4688 1 174 . 1 1 18 18 LYS HA H 1 4.436 0.005 . 1 . . . . . . . . 4688 1 175 . 1 1 18 18 LYS HB2 H 1 1.887 0.005 . 2 . . . . . . . . 4688 1 176 . 1 1 18 18 LYS HB3 H 1 1.825 0.005 . 2 . . . . . . . . 4688 1 177 . 1 1 18 18 LYS HG2 H 1 1.512 0.005 . 1 . . . . . . . . 4688 1 178 . 1 1 18 18 LYS HD2 H 1 1.757 0.005 . 1 . . . . . . . . 4688 1 179 . 1 1 18 18 LYS HE2 H 1 3.078 0.005 . 1 . . . . . . . . 4688 1 180 . 1 1 18 18 LYS CA C 13 56.364 0.05 . 1 . . . . . . . . 4688 1 181 . 1 1 18 18 LYS CB C 13 33.06 0.05 . 1 . . . . . . . . 4688 1 182 . 1 1 18 18 LYS CG C 13 24.91 0.05 . 1 . . . . . . . . 4688 1 183 . 1 1 18 18 LYS CD C 13 29.208 0.05 . 1 . . . . . . . . 4688 1 184 . 1 1 18 18 LYS CE C 13 41.948 0.05 . 1 . . . . . . . . 4688 1 185 . 1 1 18 18 LYS N N 15 126.502 0.05 . 1 . . . . . . . . 4688 1 186 . 1 1 19 19 ARG H H 1 8.437 0.005 . 1 . . . . . . . . 4688 1 187 . 1 1 19 19 ARG HA H 1 4.527 0.005 . 1 . . . . . . . . 4688 1 188 . 1 1 19 19 ARG HB2 H 1 1.974 0.005 . 2 . . . . . . . . 4688 1 189 . 1 1 19 19 ARG HB3 H 1 1.891 0.005 . 2 . . . . . . . . 4688 1 190 . 1 1 19 19 ARG HG2 H 1 1.729 0.005 . 2 . . . . . . . . 4688 1 191 . 1 1 19 19 ARG HG3 H 1 1.699 0.005 . 2 . . . . . . . . 4688 1 192 . 1 1 19 19 ARG HD2 H 1 3.286 0.005 . 2 . . . . . . . . 4688 1 193 . 1 1 19 19 ARG HD3 H 1 3.218 0.005 . 2 . . . . . . . . 4688 1 194 . 1 1 19 19 ARG CA C 13 55.995 0.05 . 1 . . . . . . . . 4688 1 195 . 1 1 19 19 ARG CB C 13 31.069 0.05 . 1 . . . . . . . . 4688 1 196 . 1 1 19 19 ARG CG C 13 27.071 0.05 . 1 . . . . . . . . 4688 1 197 . 1 1 19 19 ARG CD C 13 43.137 0.05 . 1 . . . . . . . . 4688 1 198 . 1 1 19 19 ARG N N 15 124.12 0.05 . 1 . . . . . . . . 4688 1 199 . 1 1 20 20 THR H H 1 8.268 0.005 . 1 . . . . . . . . 4688 1 200 . 1 1 20 20 THR HA H 1 4.477 0.005 . 1 . . . . . . . . 4688 1 201 . 1 1 20 20 THR HB H 1 4.347 0.005 . 1 . . . . . . . . 4688 1 202 . 1 1 20 20 THR HG21 H 1 4.347 0.005 . 1 . . . . . . . . 4688 1 203 . 1 1 20 20 THR HG22 H 1 4.347 0.005 . 1 . . . . . . . . 4688 1 204 . 1 1 20 20 THR HG23 H 1 4.347 0.005 . 1 . . . . . . . . 4688 1 205 . 1 1 20 20 THR CA C 13 61.877 0.05 . 1 . . . . . . . . 4688 1 206 . 1 1 20 20 THR CB C 13 70.087 0.05 . 1 . . . . . . . . 4688 1 207 . 1 1 20 20 THR CG2 C 13 21.498 0.05 . 1 . . . . . . . . 4688 1 208 . 1 1 20 20 THR N N 15 115.985 0.05 . 1 . . . . . . . . 4688 1 209 . 1 1 21 21 GLY H H 1 8.433 0.005 . 1 . . . . . . . . 4688 1 210 . 1 1 21 21 GLY HA2 H 1 4.123 0.005 . 1 . . . . . . . . 4688 1 211 . 1 1 21 21 GLY HA3 H 1 4.07 0.005 . 1 . . . . . . . . 4688 1 212 . 1 1 21 21 GLY CA C 13 45.317 0.05 . 1 . . . . . . . . 4688 1 213 . 1 1 21 21 GLY N N 15 111.76 0.05 . 1 . . . . . . . . 4688 1 214 . 1 1 22 22 ARG H H 1 8.364 0.005 . 1 . . . . . . . . 4688 1 215 . 1 1 22 22 ARG HA H 1 4.537 0.005 . 1 . . . . . . . . 4688 1 216 . 1 1 22 22 ARG HB2 H 1 1.919 0.005 . 1 . . . . . . . . 4688 1 217 . 1 1 22 22 ARG HG2 H 1 1.724 0.005 . 1 . . . . . . . . 4688 1 218 . 1 1 22 22 ARG HD2 H 1 3.182 0.005 . 1 . . . . . . . . 4688 1 219 . 1 1 22 22 ARG CA C 13 55.992 0.05 . 1 . . . . . . . . 4688 1 220 . 1 1 22 22 ARG CB C 13 31.569 0.05 . 1 . . . . . . . . 4688 1 221 . 1 1 22 22 ARG CG C 13 26.894 0.05 . 1 . . . . . . . . 4688 1 222 . 1 1 22 22 ARG CD C 13 43.571 0.05 . 1 . . . . . . . . 4688 1 223 . 1 1 22 22 ARG N N 15 121.779 0.05 . 1 . . . . . . . . 4688 1 224 . 1 1 23 23 LEU H H 1 8.244 0.005 . 1 . . . . . . . . 4688 1 225 . 1 1 23 23 LEU HA H 1 5.07 0.005 . 1 . . . . . . . . 4688 1 226 . 1 1 23 23 LEU HB2 H 1 1.996 0.005 . 2 . . . . . . . . 4688 1 227 . 1 1 23 23 LEU HB3 H 1 1.226 0.005 . 2 . . . . . . . . 4688 1 228 . 1 1 23 23 LEU HG H 1 1.875 0.005 . 1 . . . . . . . . 4688 1 229 . 1 1 23 23 LEU HD11 H 1 1.016 0.005 . 2 . . . . . . . . 4688 1 230 . 1 1 23 23 LEU HD12 H 1 1.016 0.005 . 2 . . . . . . . . 4688 1 231 . 1 1 23 23 LEU HD13 H 1 1.016 0.005 . 2 . . . . . . . . 4688 1 232 . 1 1 23 23 LEU HD21 H 1 0.944 0.005 . 2 . . . . . . . . 4688 1 233 . 1 1 23 23 LEU HD22 H 1 0.944 0.005 . 2 . . . . . . . . 4688 1 234 . 1 1 23 23 LEU HD23 H 1 0.944 0.005 . 2 . . . . . . . . 4688 1 235 . 1 1 23 23 LEU CA C 13 54.485 0.05 . 1 . . . . . . . . 4688 1 236 . 1 1 23 23 LEU CB C 13 43.831 0.05 . 1 . . . . . . . . 4688 1 237 . 1 1 23 23 LEU CG C 13 27.027 0.05 . 1 . . . . . . . . 4688 1 238 . 1 1 23 23 LEU CD1 C 13 26.967 0.05 . 2 . . . . . . . . 4688 1 239 . 1 1 23 23 LEU CD2 C 13 23.565 0.05 . 2 . . . . . . . . 4688 1 240 . 1 1 23 23 LEU N N 15 123.197 0.05 . 1 . . . . . . . . 4688 1 241 . 1 1 24 24 ARG H H 1 8.972 0.005 . 1 . . . . . . . . 4688 1 242 . 1 1 24 24 ARG HA H 1 5.161 0.005 . 1 . . . . . . . . 4688 1 243 . 1 1 24 24 ARG HB2 H 1 1.968 0.005 . 2 . . . . . . . . 4688 1 244 . 1 1 24 24 ARG HB3 H 1 1.719 0.005 . 2 . . . . . . . . 4688 1 245 . 1 1 24 24 ARG HG2 H 1 1.488 0.005 . 2 . . . . . . . . 4688 1 246 . 1 1 24 24 ARG HG3 H 1 1.411 0.005 . 2 . . . . . . . . 4688 1 247 . 1 1 24 24 ARG HD2 H 1 3.572 0.005 . 2 . . . . . . . . 4688 1 248 . 1 1 24 24 ARG HD3 H 1 3.092 0.005 . 2 . . . . . . . . 4688 1 249 . 1 1 24 24 ARG HE H 1 9.432 0.005 . 1 . . . . . . . . 4688 1 250 . 1 1 24 24 ARG CA C 13 54.878 0.05 . 1 . . . . . . . . 4688 1 251 . 1 1 24 24 ARG CB C 13 35.042 0.05 . 1 . . . . . . . . 4688 1 252 . 1 1 24 24 ARG CG C 13 27.504 0.05 . 1 . . . . . . . . 4688 1 253 . 1 1 24 24 ARG CD C 13 42.906 0.05 . 1 . . . . . . . . 4688 1 254 . 1 1 24 24 ARG N N 15 125.359 0.05 . 1 . . . . . . . . 4688 1 255 . 1 1 24 24 ARG NE N 15 84.792 0.05 . 1 . . . . . . . . 4688 1 256 . 1 1 25 25 LEU H H 1 9.105 0.005 . 1 . . . . . . . . 4688 1 257 . 1 1 25 25 LEU HA H 1 5.254 0.005 . 1 . . . . . . . . 4688 1 258 . 1 1 25 25 LEU HB2 H 1 1.672 0.005 . 2 . . . . . . . . 4688 1 259 . 1 1 25 25 LEU HB3 H 1 1.129 0.005 . 2 . . . . . . . . 4688 1 260 . 1 1 25 25 LEU HG H 1 1.452 0.005 . 1 . . . . . . . . 4688 1 261 . 1 1 25 25 LEU HD11 H 1 0.59 0.005 . 2 . . . . . . . . 4688 1 262 . 1 1 25 25 LEU HD12 H 1 0.59 0.005 . 2 . . . . . . . . 4688 1 263 . 1 1 25 25 LEU HD13 H 1 0.59 0.005 . 2 . . . . . . . . 4688 1 264 . 1 1 25 25 LEU HD21 H 1 0.327 0.005 . 2 . . . . . . . . 4688 1 265 . 1 1 25 25 LEU HD22 H 1 0.327 0.005 . 2 . . . . . . . . 4688 1 266 . 1 1 25 25 LEU HD23 H 1 0.327 0.005 . 2 . . . . . . . . 4688 1 267 . 1 1 25 25 LEU CA C 13 53.925 0.05 . 1 . . . . . . . . 4688 1 268 . 1 1 25 25 LEU CB C 13 43.503 0.05 . 1 . . . . . . . . 4688 1 269 . 1 1 25 25 LEU CG C 13 28.2 0.05 . 1 . . . . . . . . 4688 1 270 . 1 1 25 25 LEU CD1 C 13 25.833 0.05 . 2 . . . . . . . . 4688 1 271 . 1 1 25 25 LEU CD2 C 13 23.896 0.05 . 2 . . . . . . . . 4688 1 272 . 1 1 25 25 LEU N N 15 130.623 0.05 . 1 . . . . . . . . 4688 1 273 . 1 1 26 26 SER H H 1 9.133 0.005 . 1 . . . . . . . . 4688 1 274 . 1 1 26 26 SER HA H 1 5.25 0.005 . 1 . . . . . . . . 4688 1 275 . 1 1 26 26 SER HB2 H 1 3.861 0.005 . 2 . . . . . . . . 4688 1 276 . 1 1 26 26 SER HB3 H 1 3.728 0.005 . 2 . . . . . . . . 4688 1 277 . 1 1 26 26 SER CA C 13 56.372 0.05 . 1 . . . . . . . . 4688 1 278 . 1 1 26 26 SER CB C 13 65.881 0.05 . 1 . . . . . . . . 4688 1 279 . 1 1 26 26 SER N N 15 121.852 0.05 . 1 . . . . . . . . 4688 1 280 . 1 1 27 27 VAL H H 1 8.026 0.005 . 1 . . . . . . . . 4688 1 281 . 1 1 27 27 VAL HA H 1 5.254 0.005 . 1 . . . . . . . . 4688 1 282 . 1 1 27 27 VAL HB H 1 2.057 0.005 . 1 . . . . . . . . 4688 1 283 . 1 1 27 27 VAL HG11 H 1 1.088 0.005 . 2 . . . . . . . . 4688 1 284 . 1 1 27 27 VAL HG12 H 1 1.088 0.005 . 2 . . . . . . . . 4688 1 285 . 1 1 27 27 VAL HG13 H 1 1.088 0.005 . 2 . . . . . . . . 4688 1 286 . 1 1 27 27 VAL HG21 H 1 1.024 0.005 . 2 . . . . . . . . 4688 1 287 . 1 1 27 27 VAL HG22 H 1 1.024 0.005 . 2 . . . . . . . . 4688 1 288 . 1 1 27 27 VAL HG23 H 1 1.024 0.005 . 2 . . . . . . . . 4688 1 289 . 1 1 27 27 VAL CA C 13 59.831 0.05 . 1 . . . . . . . . 4688 1 290 . 1 1 27 27 VAL CB C 13 35.547 0.05 . 1 . . . . . . . . 4688 1 291 . 1 1 27 27 VAL CG1 C 13 22.314 0.05 . 2 . . . . . . . . 4688 1 292 . 1 1 27 27 VAL CG2 C 13 21.599 0.05 . 2 . . . . . . . . 4688 1 293 . 1 1 27 27 VAL N N 15 121.202 0.05 . 1 . . . . . . . . 4688 1 294 . 1 1 28 28 PHE H H 1 9.074 0.005 . 1 . . . . . . . . 4688 1 295 . 1 1 28 28 PHE HA H 1 5.125 0.005 . 1 . . . . . . . . 4688 1 296 . 1 1 28 28 PHE HB2 H 1 3.096 0.005 . 2 . . . . . . . . 4688 1 297 . 1 1 28 28 PHE HB3 H 1 2.85 0.005 . 2 . . . . . . . . 4688 1 298 . 1 1 28 28 PHE HD1 H 1 7.139 0.005 . 1 . . . . . . . . 4688 1 299 . 1 1 28 28 PHE HE1 H 1 7.241 0.005 . 1 . . . . . . . . 4688 1 300 . 1 1 28 28 PHE HZ H 1 6.77 0.005 . 1 . . . . . . . . 4688 1 301 . 1 1 28 28 PHE CA C 13 57.372 0.05 . 1 . . . . . . . . 4688 1 302 . 1 1 28 28 PHE CB C 13 42.22 0.05 . 1 . . . . . . . . 4688 1 303 . 1 1 28 28 PHE N N 15 125.229 0.05 . 1 . . . . . . . . 4688 1 304 . 1 1 29 29 ARG H H 1 7.739 0.005 . 1 . . . . . . . . 4688 1 305 . 1 1 29 29 ARG HA H 1 4.948 0.005 . 1 . . . . . . . . 4688 1 306 . 1 1 29 29 ARG HB2 H 1 1.454 0.005 . 2 . . . . . . . . 4688 1 307 . 1 1 29 29 ARG HB3 H 1 1.181 0.005 . 2 . . . . . . . . 4688 1 308 . 1 1 29 29 ARG HG2 H 1 1.413 0.005 . 2 . . . . . . . . 4688 1 309 . 1 1 29 29 ARG HG3 H 1 1.318 0.005 . 2 . . . . . . . . 4688 1 310 . 1 1 29 29 ARG HD2 H 1 3.097 0.005 . 2 . . . . . . . . 4688 1 311 . 1 1 29 29 ARG HD3 H 1 2.639 0.005 . 2 . . . . . . . . 4688 1 312 . 1 1 29 29 ARG HE H 1 6.98 0.005 . 1 . . . . . . . . 4688 1 313 . 1 1 29 29 ARG CA C 13 54.359 0.05 . 1 . . . . . . . . 4688 1 314 . 1 1 29 29 ARG CB C 13 33.56 0.05 . 1 . . . . . . . . 4688 1 315 . 1 1 29 29 ARG CG C 13 26.154 0.05 . 1 . . . . . . . . 4688 1 316 . 1 1 29 29 ARG CD C 13 43.619 0.05 . 1 . . . . . . . . 4688 1 317 . 1 1 29 29 ARG N N 15 126.073 0.05 . 1 . . . . . . . . 4688 1 318 . 1 1 29 29 ARG NE N 15 85.085 0.05 . 1 . . . . . . . . 4688 1 319 . 1 1 30 30 SER H H 1 8.949 0.005 . 1 . . . . . . . . 4688 1 320 . 1 1 30 30 SER HA H 1 5.006 0.005 . 1 . . . . . . . . 4688 1 321 . 1 1 30 30 SER CA C 13 55.735 0.05 . 1 . . . . . . . . 4688 1 322 . 1 1 30 30 SER CB C 13 66.873 0.05 . 1 . . . . . . . . 4688 1 323 . 1 1 30 30 SER N N 15 122.494 0.05 . 1 . . . . . . . . 4688 1 324 . 1 1 31 31 LEU CA C 13 58.769 0.05 . 1 . . . . . . . . 4688 1 325 . 1 1 31 31 LEU CB C 13 41.957 0.05 . 1 . . . . . . . . 4688 1 326 . 1 1 31 31 LEU CD1 C 13 24.035 0.05 . 4 . . . . . . . . 4688 1 327 . 1 1 32 32 LYS H H 1 7.981 0.005 . 1 . . . . . . . . 4688 1 328 . 1 1 32 32 LYS HA H 1 4.246 0.005 . 1 . . . . . . . . 4688 1 329 . 1 1 32 32 LYS HB2 H 1 1.646 0.005 . 2 . . . . . . . . 4688 1 330 . 1 1 32 32 LYS HB3 H 1 1.51 0.005 . 2 . . . . . . . . 4688 1 331 . 1 1 32 32 LYS HG2 H 1 1.399 0.005 . 2 . . . . . . . . 4688 1 332 . 1 1 32 32 LYS HG3 H 1 1.232 0.005 . 2 . . . . . . . . 4688 1 333 . 1 1 32 32 LYS HD2 H 1 1.67 0.005 . 1 . . . . . . . . 4688 1 334 . 1 1 32 32 LYS HE2 H 1 3.039 0.005 . 1 . . . . . . . . 4688 1 335 . 1 1 32 32 LYS CA C 13 56.549 0.05 . 1 . . . . . . . . 4688 1 336 . 1 1 32 32 LYS CB C 13 35.283 0.05 . 1 . . . . . . . . 4688 1 337 . 1 1 32 32 LYS CG C 13 25.217 0.05 . 1 . . . . . . . . 4688 1 338 . 1 1 32 32 LYS CD C 13 28.875 0.05 . 1 . . . . . . . . 4688 1 339 . 1 1 32 32 LYS CE C 13 41.91 0.05 . 1 . . . . . . . . 4688 1 340 . 1 1 32 32 LYS N N 15 117.197 0.05 . 1 . . . . . . . . 4688 1 341 . 1 1 33 33 HIS H H 1 7.678 0.005 . 1 . . . . . . . . 4688 1 342 . 1 1 33 33 HIS HA H 1 5.009 0.005 . 1 . . . . . . . . 4688 1 343 . 1 1 33 33 HIS HB2 H 1 2.905 0.005 . 2 . . . . . . . . 4688 1 344 . 1 1 33 33 HIS HB3 H 1 2.649 0.005 . 2 . . . . . . . . 4688 1 345 . 1 1 33 33 HIS HD2 H 1 6.767 0.005 . 2 . . . . . . . . 4688 1 346 . 1 1 33 33 HIS CA C 13 55.865 0.05 . 1 . . . . . . . . 4688 1 347 . 1 1 33 33 HIS CB C 13 36.872 0.05 . 1 . . . . . . . . 4688 1 348 . 1 1 33 33 HIS N N 15 117.197 0.05 . 1 . . . . . . . . 4688 1 349 . 1 1 34 34 ILE H H 1 8.598 0.005 . 1 . . . . . . . . 4688 1 350 . 1 1 34 34 ILE HA H 1 5.143 0.005 . 1 . . . . . . . . 4688 1 351 . 1 1 34 34 ILE HB H 1 1.649 0.005 . 1 . . . . . . . . 4688 1 352 . 1 1 34 34 ILE HG12 H 1 1.739 0.005 . 2 . . . . . . . . 4688 1 353 . 1 1 34 34 ILE HG13 H 1 1.134 0.005 . 2 . . . . . . . . 4688 1 354 . 1 1 34 34 ILE HG21 H 1 0.959 0.005 . 1 . . . . . . . . 4688 1 355 . 1 1 34 34 ILE HG22 H 1 0.959 0.005 . 1 . . . . . . . . 4688 1 356 . 1 1 34 34 ILE HG23 H 1 0.959 0.005 . 1 . . . . . . . . 4688 1 357 . 1 1 34 34 ILE HD11 H 1 0.811 0.005 . 1 . . . . . . . . 4688 1 358 . 1 1 34 34 ILE HD12 H 1 0.811 0.005 . 1 . . . . . . . . 4688 1 359 . 1 1 34 34 ILE HD13 H 1 0.811 0.005 . 1 . . . . . . . . 4688 1 360 . 1 1 34 34 ILE CA C 13 59.713 0.05 . 1 . . . . . . . . 4688 1 361 . 1 1 34 34 ILE CB C 13 42.924 0.05 . 1 . . . . . . . . 4688 1 362 . 1 1 34 34 ILE CG1 C 13 29.336 0.05 . 1 . . . . . . . . 4688 1 363 . 1 1 34 34 ILE CG2 C 13 15.307 0.05 . 1 . . . . . . . . 4688 1 364 . 1 1 34 34 ILE CD1 C 13 15.438 0.05 . 1 . . . . . . . . 4688 1 365 . 1 1 34 34 ILE N N 15 118.757 0.05 . 1 . . . . . . . . 4688 1 366 . 1 1 35 35 TYR H H 1 8.977 0.005 . 1 . . . . . . . . 4688 1 367 . 1 1 35 35 TYR HA H 1 5.004 0.005 . 1 . . . . . . . . 4688 1 368 . 1 1 35 35 TYR HB2 H 1 3.005 0.005 . 2 . . . . . . . . 4688 1 369 . 1 1 35 35 TYR HB3 H 1 3.217 0.005 . 2 . . . . . . . . 4688 1 370 . 1 1 35 35 TYR HD1 H 1 7.211 0.005 . 1 . . . . . . . . 4688 1 371 . 1 1 35 35 TYR HE1 H 1 6.768 0.005 . 1 . . . . . . . . 4688 1 372 . 1 1 35 35 TYR CA C 13 56.391 0.05 . 1 . . . . . . . . 4688 1 373 . 1 1 35 35 TYR CB C 13 41.514 0.05 . 1 . . . . . . . . 4688 1 374 . 1 1 35 35 TYR N N 15 126.105 0.05 . 1 . . . . . . . . 4688 1 375 . 1 1 36 36 ALA H H 1 9.097 0.005 . 1 . . . . . . . . 4688 1 376 . 1 1 36 36 ALA HA H 1 5.6 0.005 . 1 . . . . . . . . 4688 1 377 . 1 1 36 36 ALA HB1 H 1 1.4 0.005 . 1 . . . . . . . . 4688 1 378 . 1 1 36 36 ALA HB2 H 1 1.4 0.005 . 1 . . . . . . . . 4688 1 379 . 1 1 36 36 ALA HB3 H 1 1.4 0.005 . 1 . . . . . . . . 4688 1 380 . 1 1 36 36 ALA CA C 13 50.49 0.05 . 1 . . . . . . . . 4688 1 381 . 1 1 36 36 ALA CB C 13 24.608 0.05 . 1 . . . . . . . . 4688 1 382 . 1 1 36 36 ALA N N 15 123.529 0.05 . 1 . . . . . . . . 4688 1 383 . 1 1 37 37 GLN H H 1 8.769 0.005 . 1 . . . . . . . . 4688 1 384 . 1 1 37 37 GLN HA H 1 5.268 0.005 . 1 . . . . . . . . 4688 1 385 . 1 1 37 37 GLN HB2 H 1 2.245 0.005 . 2 . . . . . . . . 4688 1 386 . 1 1 37 37 GLN HB3 H 1 2.047 0.005 . 2 . . . . . . . . 4688 1 387 . 1 1 37 37 GLN HG2 H 1 2.451 0.005 . 2 . . . . . . . . 4688 1 388 . 1 1 37 37 GLN HG3 H 1 2.305 0.005 . 2 . . . . . . . . 4688 1 389 . 1 1 37 37 GLN HE21 H 1 6.443 0.005 . 1 . . . . . . . . 4688 1 390 . 1 1 37 37 GLN HE22 H 1 7.306 0.005 . 1 . . . . . . . . 4688 1 391 . 1 1 37 37 GLN CA C 13 54.144 0.05 . 1 . . . . . . . . 4688 1 392 . 1 1 37 37 GLN CB C 13 32.598 0.05 . 1 . . . . . . . . 4688 1 393 . 1 1 37 37 GLN CG C 13 32.962 0.05 . 1 . . . . . . . . 4688 1 394 . 1 1 37 37 GLN N N 15 117.201 0.05 . 1 . . . . . . . . 4688 1 395 . 1 1 37 37 GLN NE2 N 15 111.395 0.05 . 1 . . . . . . . . 4688 1 396 . 1 1 38 38 ILE H H 1 8.684 0.005 . 1 . . . . . . . . 4688 1 397 . 1 1 38 38 ILE HA H 1 5.305 0.005 . 1 . . . . . . . . 4688 1 398 . 1 1 38 38 ILE HB H 1 1.685 0.005 . 1 . . . . . . . . 4688 1 399 . 1 1 38 38 ILE HG12 H 1 1.615 0.005 . 2 . . . . . . . . 4688 1 400 . 1 1 38 38 ILE HG13 H 1 0.904 0.005 . 2 . . . . . . . . 4688 1 401 . 1 1 38 38 ILE HG21 H 1 0.912 0.005 . 1 . . . . . . . . 4688 1 402 . 1 1 38 38 ILE HG22 H 1 0.912 0.005 . 1 . . . . . . . . 4688 1 403 . 1 1 38 38 ILE HG23 H 1 0.912 0.005 . 1 . . . . . . . . 4688 1 404 . 1 1 38 38 ILE HD11 H 1 0.789 0.005 . 1 . . . . . . . . 4688 1 405 . 1 1 38 38 ILE HD12 H 1 0.789 0.005 . 1 . . . . . . . . 4688 1 406 . 1 1 38 38 ILE HD13 H 1 0.789 0.005 . 1 . . . . . . . . 4688 1 407 . 1 1 38 38 ILE CA C 13 60.242 0.05 . 1 . . . . . . . . 4688 1 408 . 1 1 38 38 ILE CB C 13 39.028 0.05 . 1 . . . . . . . . 4688 1 409 . 1 1 38 38 ILE CG1 C 13 28.448 0.05 . 1 . . . . . . . . 4688 1 410 . 1 1 38 38 ILE CG2 C 13 18.276 0.05 . 1 . . . . . . . . 4688 1 411 . 1 1 38 38 ILE CD1 C 13 13.717 0.05 . 1 . . . . . . . . 4688 1 412 . 1 1 38 38 ILE N N 15 120.266 0.05 . 1 . . . . . . . . 4688 1 413 . 1 1 39 39 ILE H H 1 9.628 0.005 . 1 . . . . . . . . 4688 1 414 . 1 1 39 39 ILE HA H 1 4.665 0.005 . 1 . . . . . . . . 4688 1 415 . 1 1 39 39 ILE HB H 1 1.662 0.005 . 1 . . . . . . . . 4688 1 416 . 1 1 39 39 ILE HG12 H 1 1.464 0.005 . 2 . . . . . . . . 4688 1 417 . 1 1 39 39 ILE HG13 H 1 1.078 0.005 . 2 . . . . . . . . 4688 1 418 . 1 1 39 39 ILE HG21 H 1 0.78 0.005 . 1 . . . . . . . . 4688 1 419 . 1 1 39 39 ILE HG22 H 1 0.78 0.005 . 1 . . . . . . . . 4688 1 420 . 1 1 39 39 ILE HG23 H 1 0.78 0.005 . 1 . . . . . . . . 4688 1 421 . 1 1 39 39 ILE HD11 H 1 0.895 0.005 . 1 . . . . . . . . 4688 1 422 . 1 1 39 39 ILE HD12 H 1 0.895 0.005 . 1 . . . . . . . . 4688 1 423 . 1 1 39 39 ILE HD13 H 1 0.895 0.005 . 1 . . . . . . . . 4688 1 424 . 1 1 39 39 ILE CA C 13 60.141 0.05 . 1 . . . . . . . . 4688 1 425 . 1 1 39 39 ILE CB C 13 43.006 0.05 . 1 . . . . . . . . 4688 1 426 . 1 1 39 39 ILE CG1 C 13 28.432 0.05 . 1 . . . . . . . . 4688 1 427 . 1 1 39 39 ILE CG2 C 13 17.05 0.05 . 1 . . . . . . . . 4688 1 428 . 1 1 39 39 ILE CD1 C 13 13.823 0.05 . 1 . . . . . . . . 4688 1 429 . 1 1 39 39 ILE N N 15 131.032 0.05 . 1 . . . . . . . . 4688 1 430 . 1 1 40 40 ASP H H 1 8.611 0.005 . 1 . . . . . . . . 4688 1 431 . 1 1 40 40 ASP HA H 1 5.059 0.005 . 1 . . . . . . . . 4688 1 432 . 1 1 40 40 ASP HB2 H 1 3.021 0.005 . 2 . . . . . . . . 4688 1 433 . 1 1 40 40 ASP HB3 H 1 2.491 0.005 . 2 . . . . . . . . 4688 1 434 . 1 1 40 40 ASP CA C 13 52.36 0.05 . 1 . . . . . . . . 4688 1 435 . 1 1 40 40 ASP CB C 13 41.543 0.05 . 1 . . . . . . . . 4688 1 436 . 1 1 40 40 ASP N N 15 124.282 0.05 . 1 . . . . . . . . 4688 1 437 . 1 1 41 41 ASP H H 1 8.953 0.005 . 1 . . . . . . . . 4688 1 438 . 1 1 41 41 ASP HA H 1 4.635 0.005 . 1 . . . . . . . . 4688 1 439 . 1 1 41 41 ASP HB2 H 1 2.777 0.005 . 2 . . . . . . . . 4688 1 440 . 1 1 41 41 ASP HB3 H 1 2.689 0.005 . 2 . . . . . . . . 4688 1 441 . 1 1 41 41 ASP CA C 13 56.702 0.05 . 1 . . . . . . . . 4688 1 442 . 1 1 41 41 ASP CB C 13 41.514 0.05 . 1 . . . . . . . . 4688 1 443 . 1 1 41 41 ASP N N 15 127.162 0.05 . 1 . . . . . . . . 4688 1 444 . 1 1 42 42 GLU H H 1 8.559 0.005 . 1 . . . . . . . . 4688 1 445 . 1 1 42 42 GLU HA H 1 4.251 0.005 . 1 . . . . . . . . 4688 1 446 . 1 1 42 42 GLU HB2 H 1 2.283 0.005 . 2 . . . . . . . . 4688 1 447 . 1 1 42 42 GLU HB3 H 1 2.231 0.005 . 2 . . . . . . . . 4688 1 448 . 1 1 42 42 GLU HG2 H 1 2.405 0.005 . 2 . . . . . . . . 4688 1 449 . 1 1 42 42 GLU HG3 H 1 2.267 0.005 . 2 . . . . . . . . 4688 1 450 . 1 1 42 42 GLU CA C 13 58.998 0.05 . 1 . . . . . . . . 4688 1 451 . 1 1 42 42 GLU CB C 13 29.58 0.05 . 1 . . . . . . . . 4688 1 452 . 1 1 42 42 GLU CG C 13 36.279 0.05 . 1 . . . . . . . . 4688 1 453 . 1 1 42 42 GLU N N 15 121.266 0.05 . 1 . . . . . . . . 4688 1 454 . 1 1 43 43 LYS H H 1 7.376 0.005 . 1 . . . . . . . . 4688 1 455 . 1 1 43 43 LYS HA H 1 4.391 0.005 . 1 . . . . . . . . 4688 1 456 . 1 1 43 43 LYS HB2 H 1 1.925 0.005 . 2 . . . . . . . . 4688 1 457 . 1 1 43 43 LYS HB3 H 1 1.544 0.005 . 2 . . . . . . . . 4688 1 458 . 1 1 43 43 LYS HG2 H 1 1.570 0.005 . 2 . . . . . . . . 4688 1 459 . 1 1 43 43 LYS HG3 H 1 1.440 0.005 . 2 . . . . . . . . 4688 1 460 . 1 1 43 43 LYS HD2 H 1 1.704 0.005 . 1 . . . . . . . . 4688 1 461 . 1 1 43 43 LYS HE2 H 1 3.074 0.005 . 1 . . . . . . . . 4688 1 462 . 1 1 43 43 LYS CA C 13 55.985 0.05 . 1 . . . . . . . . 4688 1 463 . 1 1 43 43 LYS CB C 13 35.05 0.05 . 1 . . . . . . . . 4688 1 464 . 1 1 43 43 LYS CG C 13 25.422 0.05 . 1 . . . . . . . . 4688 1 465 . 1 1 43 43 LYS CD C 13 28.646 0.05 . 1 . . . . . . . . 4688 1 466 . 1 1 43 43 LYS CE C 13 41.931 0.05 . 1 . . . . . . . . 4688 1 467 . 1 1 43 43 LYS N N 15 116.417 0.05 . 1 . . . . . . . . 4688 1 468 . 1 1 44 44 GLY H H 1 8.525 0.005 . 1 . . . . . . . . 4688 1 469 . 1 1 44 44 GLY HA2 H 1 4.015 0.005 . 1 . . . . . . . . 4688 1 470 . 1 1 44 44 GLY HA3 H 1 3.929 0.005 . 1 . . . . . . . . 4688 1 471 . 1 1 44 44 GLY CA C 13 46.588 0.05 . 1 . . . . . . . . 4688 1 472 . 1 1 44 44 GLY N N 15 110.779 0.05 . 1 . . . . . . . . 4688 1 473 . 1 1 45 45 VAL H H 1 7.16 0.005 . 1 . . . . . . . . 4688 1 474 . 1 1 45 45 VAL HA H 1 4.6 0.005 . 1 . . . . . . . . 4688 1 475 . 1 1 45 45 VAL HB H 1 1.973 0.005 . 1 . . . . . . . . 4688 1 476 . 1 1 45 45 VAL HG11 H 1 0.898 0.005 . 1 . . . . . . . . 4688 1 477 . 1 1 45 45 VAL HG12 H 1 0.898 0.005 . 1 . . . . . . . . 4688 1 478 . 1 1 45 45 VAL HG13 H 1 0.898 0.005 . 1 . . . . . . . . 4688 1 479 . 1 1 45 45 VAL CA C 13 59.546 0.05 . 1 . . . . . . . . 4688 1 480 . 1 1 45 45 VAL CB C 13 35.581 0.05 . 1 . . . . . . . . 4688 1 481 . 1 1 45 45 VAL CG1 C 13 20.113 0.05 . 2 . . . . . . . . 4688 1 482 . 1 1 45 45 VAL CG2 C 13 20.935 0.05 . 2 . . . . . . . . 4688 1 483 . 1 1 45 45 VAL N N 15 113.698 0.05 . 1 . . . . . . . . 4688 1 484 . 1 1 46 46 THR H H 1 8.876 0.005 . 1 . . . . . . . . 4688 1 485 . 1 1 46 46 THR HA H 1 4.392 0.005 . 1 . . . . . . . . 4688 1 486 . 1 1 46 46 THR HB H 1 4.071 0.005 . 1 . . . . . . . . 4688 1 487 . 1 1 46 46 THR HG21 H 1 1.18 0.005 . 1 . . . . . . . . 4688 1 488 . 1 1 46 46 THR HG22 H 1 1.18 0.005 . 1 . . . . . . . . 4688 1 489 . 1 1 46 46 THR HG23 H 1 1.18 0.005 . 1 . . . . . . . . 4688 1 490 . 1 1 46 46 THR CA C 13 63.437 0.05 . 1 . . . . . . . . 4688 1 491 . 1 1 46 46 THR CB C 13 68.862 0.05 . 1 . . . . . . . . 4688 1 492 . 1 1 46 46 THR CG2 C 13 22.458 0.05 . 1 . . . . . . . . 4688 1 493 . 1 1 46 46 THR N N 15 123.464 0.05 . 1 . . . . . . . . 4688 1 494 . 1 1 47 47 LEU H H 1 9.244 0.005 . 1 . . . . . . . . 4688 1 495 . 1 1 47 47 LEU HA H 1 4.46 0.005 . 1 . . . . . . . . 4688 1 496 . 1 1 47 47 LEU HB2 H 1 1.606 0.005 . 2 . . . . . . . . 4688 1 497 . 1 1 47 47 LEU HB3 H 1 1.498 0.005 . 2 . . . . . . . . 4688 1 498 . 1 1 47 47 LEU HG H 1 1.769 0.005 . 1 . . . . . . . . 4688 1 499 . 1 1 47 47 LEU HD11 H 1 0.963 0.005 . 2 . . . . . . . . 4688 1 500 . 1 1 47 47 LEU HD12 H 1 0.963 0.005 . 2 . . . . . . . . 4688 1 501 . 1 1 47 47 LEU HD13 H 1 0.963 0.005 . 2 . . . . . . . . 4688 1 502 . 1 1 47 47 LEU HD21 H 1 1.025 0.005 . 2 . . . . . . . . 4688 1 503 . 1 1 47 47 LEU HD22 H 1 1.025 0.005 . 2 . . . . . . . . 4688 1 504 . 1 1 47 47 LEU HD23 H 1 1.025 0.005 . 2 . . . . . . . . 4688 1 505 . 1 1 47 47 LEU CA C 13 56.411 0.05 . 1 . . . . . . . . 4688 1 506 . 1 1 47 47 LEU CB C 13 44.168 0.05 . 1 . . . . . . . . 4688 1 507 . 1 1 47 47 LEU CG C 13 27.388 0.05 . 1 . . . . . . . . 4688 1 508 . 1 1 47 47 LEU CD1 C 13 26.831 0.05 . 2 . . . . . . . . 4688 1 509 . 1 1 47 47 LEU CD2 C 13 22.748 0.05 . 2 . . . . . . . . 4688 1 510 . 1 1 47 47 LEU N N 15 129.116 0.05 . 1 . . . . . . . . 4688 1 511 . 1 1 48 48 VAL H H 1 7.293 0.005 . 1 . . . . . . . . 4688 1 512 . 1 1 48 48 VAL HA H 1 4.571 0.005 . 1 . . . . . . . . 4688 1 513 . 1 1 48 48 VAL HB H 1 1.978 0.005 . 1 . . . . . . . . 4688 1 514 . 1 1 48 48 VAL HG11 H 1 1.025 0.005 . 2 . . . . . . . . 4688 1 515 . 1 1 48 48 VAL HG12 H 1 1.025 0.005 . 2 . . . . . . . . 4688 1 516 . 1 1 48 48 VAL HG13 H 1 1.025 0.005 . 2 . . . . . . . . 4688 1 517 . 1 1 48 48 VAL HG21 H 1 0.916 0.005 . 2 . . . . . . . . 4688 1 518 . 1 1 48 48 VAL HG22 H 1 0.916 0.005 . 2 . . . . . . . . 4688 1 519 . 1 1 48 48 VAL HG23 H 1 0.916 0.005 . 2 . . . . . . . . 4688 1 520 . 1 1 48 48 VAL CA C 13 59.997 0.05 . 1 . . . . . . . . 4688 1 521 . 1 1 48 48 VAL CB C 13 35.547 0.05 . 1 . . . . . . . . 4688 1 522 . 1 1 48 48 VAL CG1 C 13 21.446 0.05 . 2 . . . . . . . . 4688 1 523 . 1 1 48 48 VAL CG2 C 13 22.742 0.05 . 2 . . . . . . . . 4688 1 524 . 1 1 48 48 VAL N N 15 113.333 0.05 . 1 . . . . . . . . 4688 1 525 . 1 1 49 49 SER H H 1 8.535 0.005 . 1 . . . . . . . . 4688 1 526 . 1 1 49 49 SER HA H 1 5.263 0.005 . 1 . . . . . . . . 4688 1 527 . 1 1 49 49 SER HB2 H 1 4.008 0.005 . 2 . . . . . . . . 4688 1 528 . 1 1 49 49 SER HB3 H 1 3.855 0.005 . 2 . . . . . . . . 4688 1 529 . 1 1 49 49 SER CA C 13 57.431 0.05 . 1 . . . . . . . . 4688 1 530 . 1 1 49 49 SER CB C 13 66.42 0.05 . 1 . . . . . . . . 4688 1 531 . 1 1 49 49 SER N N 15 119.563 0.05 . 1 . . . . . . . . 4688 1 532 . 1 1 50 50 ALA H H 1 8.887 0.005 . 1 . . . . . . . . 4688 1 533 . 1 1 50 50 ALA HA H 1 4.953 0.005 . 1 . . . . . . . . 4688 1 534 . 1 1 50 50 ALA HB1 H 1 1.408 0.005 . 1 . . . . . . . . 4688 1 535 . 1 1 50 50 ALA HB2 H 1 1.408 0.005 . 1 . . . . . . . . 4688 1 536 . 1 1 50 50 ALA HB3 H 1 1.408 0.005 . 1 . . . . . . . . 4688 1 537 . 1 1 50 50 ALA CA C 13 52.125 0.05 . 1 . . . . . . . . 4688 1 538 . 1 1 50 50 ALA CB C 13 23.116 0.05 . 1 . . . . . . . . 4688 1 539 . 1 1 50 50 ALA N N 15 122.181 0.05 . 1 . . . . . . . . 4688 1 540 . 1 1 51 51 SER H H 1 7.872 0.005 . 1 . . . . . . . . 4688 1 541 . 1 1 51 51 SER HA H 1 5.285 0.005 . 1 . . . . . . . . 4688 1 542 . 1 1 51 51 SER HB2 H 1 4.191 0.005 . 2 . . . . . . . . 4688 1 543 . 1 1 51 51 SER HB3 H 1 3.753 0.005 . 2 . . . . . . . . 4688 1 544 . 1 1 51 51 SER CA C 13 56.449 0.05 . 1 . . . . . . . . 4688 1 545 . 1 1 51 51 SER CB C 13 67.869 0.05 . 1 . . . . . . . . 4688 1 546 . 1 1 51 51 SER N N 15 112.386 0.05 . 1 . . . . . . . . 4688 1 547 . 1 1 52 52 SER H H 1 8.874 0.005 . 1 . . . . . . . . 4688 1 548 . 1 1 52 52 SER HA H 1 3.89 0.005 . 1 . . . . . . . . 4688 1 549 . 1 1 52 52 SER HB2 H 1 4.349 0.005 . 2 . . . . . . . . 4688 1 550 . 1 1 52 52 SER HB3 H 1 3.683 0.005 . 2 . . . . . . . . 4688 1 551 . 1 1 52 52 SER CA C 13 60.933 0.05 . 1 . . . . . . . . 4688 1 552 . 1 1 52 52 SER CB C 13 62.328 0.05 . 1 . . . . . . . . 4688 1 553 . 1 1 52 52 SER N N 15 116.611 0.05 . 1 . . . . . . . . 4688 1 554 . 1 1 53 53 LEU H H 1 6.694 0.005 . 1 . . . . . . . . 4688 1 555 . 1 1 53 53 LEU HA H 1 3.856 0.005 . 1 . . . . . . . . 4688 1 556 . 1 1 53 53 LEU HB2 H 1 1.429 0.005 . 2 . . . . . . . . 4688 1 557 . 1 1 53 53 LEU HB3 H 1 0.73 0.005 . 2 . . . . . . . . 4688 1 558 . 1 1 53 53 LEU HG H 1 1.283 0.005 . 1 . . . . . . . . 4688 1 559 . 1 1 53 53 LEU HD11 H 1 0.788 0.005 . 2 . . . . . . . . 4688 1 560 . 1 1 53 53 LEU HD12 H 1 0.788 0.005 . 2 . . . . . . . . 4688 1 561 . 1 1 53 53 LEU HD13 H 1 0.788 0.005 . 2 . . . . . . . . 4688 1 562 . 1 1 53 53 LEU HD21 H 1 0.699 0.005 . 2 . . . . . . . . 4688 1 563 . 1 1 53 53 LEU HD22 H 1 0.699 0.005 . 2 . . . . . . . . 4688 1 564 . 1 1 53 53 LEU HD23 H 1 0.699 0.005 . 2 . . . . . . . . 4688 1 565 . 1 1 53 53 LEU CA C 13 57.368 0.05 . 1 . . . . . . . . 4688 1 566 . 1 1 53 53 LEU CB C 13 42.023 0.05 . 1 . . . . . . . . 4688 1 567 . 1 1 53 53 LEU CG C 13 26.915 0.05 . 1 . . . . . . . . 4688 1 568 . 1 1 53 53 LEU CD1 C 13 24.895 0.05 . 2 . . . . . . . . 4688 1 569 . 1 1 53 53 LEU CD2 C 13 23.583 0.05 . 2 . . . . . . . . 4688 1 570 . 1 1 53 53 LEU N N 15 123.779 0.05 . 1 . . . . . . . . 4688 1 571 . 1 1 54 54 ALA H H 1 7.77 0.005 . 1 . . . . . . . . 4688 1 572 . 1 1 54 54 ALA HA H 1 4.234 0.005 . 1 . . . . . . . . 4688 1 573 . 1 1 54 54 ALA HB1 H 1 1.542 0.005 . 1 . . . . . . . . 4688 1 574 . 1 1 54 54 ALA HB2 H 1 1.542 0.005 . 1 . . . . . . . . 4688 1 575 . 1 1 54 54 ALA HB3 H 1 1.542 0.005 . 1 . . . . . . . . 4688 1 576 . 1 1 54 54 ALA CA C 13 53.856 0.05 . 1 . . . . . . . . 4688 1 577 . 1 1 54 54 ALA CB C 13 19.203 0.05 . 1 . . . . . . . . 4688 1 578 . 1 1 54 54 ALA N N 15 122.036 0.05 . 1 . . . . . . . . 4688 1 579 . 1 1 55 55 LEU H H 1 7.316 0.005 . 1 . . . . . . . . 4688 1 580 . 1 1 55 55 LEU HA H 1 4.386 0.005 . 1 . . . . . . . . 4688 1 581 . 1 1 55 55 LEU HB2 H 1 1.715 0.005 . 2 . . . . . . . . 4688 1 582 . 1 1 55 55 LEU HB3 H 1 1.624 0.005 . 2 . . . . . . . . 4688 1 583 . 1 1 55 55 LEU HG H 1 1.960 0.005 . 1 . . . . . . . . 4688 1 584 . 1 1 55 55 LEU HD11 H 1 0.922 0.005 . 1 . . . . . . . . 4688 1 585 . 1 1 55 55 LEU HD12 H 1 0.922 0.005 . 1 . . . . . . . . 4688 1 586 . 1 1 55 55 LEU HD13 H 1 0.922 0.005 . 1 . . . . . . . . 4688 1 587 . 1 1 55 55 LEU HD21 H 1 0.975 0.005 . 1 . . . . . . . . 4688 1 588 . 1 1 55 55 LEU HD22 H 1 0.975 0.005 . 1 . . . . . . . . 4688 1 589 . 1 1 55 55 LEU HD23 H 1 0.975 0.005 . 1 . . . . . . . . 4688 1 590 . 1 1 55 55 LEU CA C 13 54.958 0.05 . 1 . . . . . . . . 4688 1 591 . 1 1 55 55 LEU CB C 13 43.006 0.05 . 1 . . . . . . . . 4688 1 592 . 1 1 55 55 LEU CG C 13 26.645 0.05 . 1 . . . . . . . . 4688 1 593 . 1 1 55 55 LEU CD1 C 13 25.70 0.05 . 1 . . . . . . . . 4688 1 594 . 1 1 55 55 LEU CD2 C 13 22.822 0.05 . 1 . . . . . . . . 4688 1 595 . 1 1 55 55 LEU N N 15 116.858 0.05 . 1 . . . . . . . . 4688 1 596 . 1 1 56 56 LYS H H 1 7.855 0.005 . 1 . . . . . . . . 4688 1 597 . 1 1 56 56 LYS HA H 1 4.173 0.005 . 1 . . . . . . . . 4688 1 598 . 1 1 56 56 LYS HB2 H 1 2.012 0.005 . 2 . . . . . . . . 4688 1 599 . 1 1 56 56 LYS HB3 H 1 1.957 0.005 . 2 . . . . . . . . 4688 1 600 . 1 1 56 56 LYS HG2 H 1 1.463 0.005 . 1 . . . . . . . . 4688 1 601 . 1 1 56 56 LYS HD2 H 1 1.589 0.005 . 1 . . . . . . . . 4688 1 602 . 1 1 56 56 LYS HE2 H 1 3.096 0.005 . 1 . . . . . . . . 4688 1 603 . 1 1 56 56 LYS CA C 13 56.675 0.05 . 1 . . . . . . . . 4688 1 604 . 1 1 56 56 LYS CB C 13 29.622 0.05 . 1 . . . . . . . . 4688 1 605 . 1 1 56 56 LYS CG C 13 24.637 0.05 . 1 . . . . . . . . 4688 1 606 . 1 1 56 56 LYS CD C 13 29.159 0.05 . 1 . . . . . . . . 4688 1 607 . 1 1 56 56 LYS N N 15 118.023 0.05 . 1 . . . . . . . . 4688 1 608 . 1 1 57 57 LEU H H 1 7.731 0.005 . 1 . . . . . . . . 4688 1 609 . 1 1 57 57 LEU HA H 1 4.594 0.005 . 1 . . . . . . . . 4688 1 610 . 1 1 57 57 LEU HB2 H 1 1.611 0.005 . 2 . . . . . . . . 4688 1 611 . 1 1 57 57 LEU HB3 H 1 1.555 0.005 . 2 . . . . . . . . 4688 1 612 . 1 1 57 57 LEU HG H 1 1.596 0.005 . 1 . . . . . . . . 4688 1 613 . 1 1 57 57 LEU HD11 H 1 0.937 0.005 . 2 . . . . . . . . 4688 1 614 . 1 1 57 57 LEU HD12 H 1 0.937 0.005 . 2 . . . . . . . . 4688 1 615 . 1 1 57 57 LEU HD13 H 1 0.937 0.005 . 2 . . . . . . . . 4688 1 616 . 1 1 57 57 LEU HD21 H 1 0.927 0.005 . 2 . . . . . . . . 4688 1 617 . 1 1 57 57 LEU HD22 H 1 0.927 0.005 . 2 . . . . . . . . 4688 1 618 . 1 1 57 57 LEU HD23 H 1 0.927 0.005 . 2 . . . . . . . . 4688 1 619 . 1 1 57 57 LEU CA C 13 54.249 0.05 . 1 . . . . . . . . 4688 1 620 . 1 1 57 57 LEU CB C 13 44.994 0.05 . 1 . . . . . . . . 4688 1 621 . 1 1 57 57 LEU CG C 13 26.59 0.05 . 1 . . . . . . . . 4688 1 622 . 1 1 57 57 LEU CD1 C 13 26.59 0.05 . 2 . . . . . . . . 4688 1 623 . 1 1 57 57 LEU CD2 C 13 22.37 0.05 . 2 . . . . . . . . 4688 1 624 . 1 1 57 57 LEU N N 15 120.416 0.05 . 1 . . . . . . . . 4688 1 625 . 1 1 58 58 LYS H H 1 8.512 0.005 . 1 . . . . . . . . 4688 1 626 . 1 1 58 58 LYS HA H 1 4.562 0.005 . 1 . . . . . . . . 4688 1 627 . 1 1 58 58 LYS CA C 13 55.382 0.05 . 1 . . . . . . . . 4688 1 628 . 1 1 58 58 LYS CB C 13 34.055 0.05 . 1 . . . . . . . . 4688 1 629 . 1 1 58 58 LYS CD C 13 28.911 0.05 . 1 . . . . . . . . 4688 1 630 . 1 1 58 58 LYS N N 15 122.169 0.05 . 1 . . . . . . . . 4688 1 631 . 1 1 59 59 GLY H H 1 7.917 0.005 . 1 . . . . . . . . 4688 1 632 . 1 1 59 59 GLY HA2 H 1 4.317 0.005 . 1 . . . . . . . . 4688 1 633 . 1 1 59 59 GLY HA3 H 1 3.919 0.005 . 1 . . . . . . . . 4688 1 634 . 1 1 59 59 GLY CA C 13 44.529 0.05 . 1 . . . . . . . . 4688 1 635 . 1 1 59 59 GLY N N 15 109.636 0.05 . 1 . . . . . . . . 4688 1 636 . 1 1 60 60 ASN H H 1 8.544 0.005 . 1 . . . . . . . . 4688 1 637 . 1 1 60 60 ASN HA H 1 4.624 0.005 . 1 . . . . . . . . 4688 1 638 . 1 1 60 60 ASN HB2 H 1 3.213 0.005 . 2 . . . . . . . . 4688 1 639 . 1 1 60 60 ASN HB3 H 1 2.85 0.005 . 2 . . . . . . . . 4688 1 640 . 1 1 60 60 ASN HD21 H 1 6.974 0.005 . 1 . . . . . . . . 4688 1 641 . 1 1 60 60 ASN HD22 H 1 7.668 0.005 . 1 . . . . . . . . 4688 1 642 . 1 1 60 60 ASN CA C 13 53.299 0.05 . 1 . . . . . . . . 4688 1 643 . 1 1 60 60 ASN CB C 13 39.039 0.05 . 1 . . . . . . . . 4688 1 644 . 1 1 60 60 ASN N N 15 118.935 0.05 . 1 . . . . . . . . 4688 1 645 . 1 1 60 60 ASN ND2 N 15 114.14 0.05 . 1 . . . . . . . . 4688 1 646 . 1 1 61 61 LYS H H 1 8.253 0.005 . 5 . . . . . . . . 4688 1 647 . 1 1 61 61 LYS CA C 13 56.437 0.05 . 5 . . . . . . . . 4688 1 648 . 1 1 61 61 LYS N N 15 122.319 0.05 . 5 . . . . . . . . 4688 1 649 . 1 1 62 62 THR HA H 1 3.803 0.005 . 9 . . . . . . . . 4688 1 650 . 1 1 62 62 THR HB H 1 4.22 0.005 . 9 . . . . . . . . 4688 1 651 . 1 1 62 62 THR HG21 H 1 1.159 0.005 . 9 . . . . . . . . 4688 1 652 . 1 1 62 62 THR HG22 H 1 1.159 0.005 . 9 . . . . . . . . 4688 1 653 . 1 1 62 62 THR HG23 H 1 1.159 0.005 . 9 . . . . . . . . 4688 1 654 . 1 1 62 62 THR CA C 13 66.355 0.05 . 9 . . . . . . . . 4688 1 655 . 1 1 62 62 THR CB C 13 67.737 0.05 . 9 . . . . . . . . 4688 1 656 . 1 1 62 62 THR CG2 C 13 22.767 0.05 . 9 . . . . . . . . 4688 1 657 . 1 1 63 63 GLU HA H 1 4.163 0.005 . 9 . . . . . . . . 4688 1 658 . 1 1 63 63 GLU HB2 H 1 2.138 0.005 . 9 . . . . . . . . 4688 1 659 . 1 1 63 63 GLU HB3 H 1 2.091 0.005 . 9 . . . . . . . . 4688 1 660 . 1 1 63 63 GLU HG2 H 1 2.411 0.005 . 9 . . . . . . . . 4688 1 661 . 1 1 63 63 GLU CA C 13 58.725 0.05 . 9 . . . . . . . . 4688 1 662 . 1 1 63 63 GLU CB C 13 28.868 0.05 . 9 . . . . . . . . 4688 1 663 . 1 1 63 63 GLU CG C 13 36.17 0.05 . 9 . . . . . . . . 4688 1 664 . 1 1 64 64 VAL HA H 1 3.613 0.005 . 1 . . . . . . . . 4688 1 665 . 1 1 64 64 VAL HB H 1 2.058 0.005 . 1 . . . . . . . . 4688 1 666 . 1 1 64 64 VAL HG11 H 1 0.934 0.005 . 2 . . . . . . . . 4688 1 667 . 1 1 64 64 VAL HG12 H 1 0.934 0.005 . 2 . . . . . . . . 4688 1 668 . 1 1 64 64 VAL HG13 H 1 0.934 0.005 . 2 . . . . . . . . 4688 1 669 . 1 1 64 64 VAL HG21 H 1 0.91 0.005 . 2 . . . . . . . . 4688 1 670 . 1 1 64 64 VAL HG22 H 1 0.91 0.005 . 2 . . . . . . . . 4688 1 671 . 1 1 64 64 VAL HG23 H 1 0.91 0.005 . 2 . . . . . . . . 4688 1 672 . 1 1 64 64 VAL CA C 13 66.453 0.05 . 1 . . . . . . . . 4688 1 673 . 1 1 64 64 VAL CB C 13 31.611 0.05 . 1 . . . . . . . . 4688 1 674 . 1 1 64 64 VAL CG1 C 13 22.13 0.05 . 2 . . . . . . . . 4688 1 675 . 1 1 64 64 VAL CG2 C 13 23.236 0.05 . 2 . . . . . . . . 4688 1 676 . 1 1 65 65 ALA H H 1 7.453 0.005 . 1 . . . . . . . . 4688 1 677 . 1 1 65 65 ALA HA H 1 3.859 0.005 . 1 . . . . . . . . 4688 1 678 . 1 1 65 65 ALA HB1 H 1 1.688 0.005 . 1 . . . . . . . . 4688 1 679 . 1 1 65 65 ALA HB2 H 1 1.688 0.005 . 1 . . . . . . . . 4688 1 680 . 1 1 65 65 ALA HB3 H 1 1.688 0.005 . 1 . . . . . . . . 4688 1 681 . 1 1 65 65 ALA CA C 13 55.88 0.05 . 1 . . . . . . . . 4688 1 682 . 1 1 65 65 ALA CB C 13 19.636 0.05 . 1 . . . . . . . . 4688 1 683 . 1 1 65 65 ALA N N 15 121.935 0.05 . 1 . . . . . . . . 4688 1 684 . 1 1 66 66 ARG H H 1 7.943 0.005 . 1 . . . . . . . . 4688 1 685 . 1 1 66 66 ARG HA H 1 4.168 0.005 . 1 . . . . . . . . 4688 1 686 . 1 1 66 66 ARG HB2 H 1 1.979 0.005 . 2 . . . . . . . . 4688 1 687 . 1 1 66 66 ARG HB3 H 1 1.895 0.005 . 2 . . . . . . . . 4688 1 688 . 1 1 66 66 ARG HG2 H 1 1.743 0.005 . 2 . . . . . . . . 4688 1 689 . 1 1 66 66 ARG HG3 H 1 1.53 0.005 . 2 . . . . . . . . 4688 1 690 . 1 1 66 66 ARG HD2 H 1 3.393 0.005 . 2 . . . . . . . . 4688 1 691 . 1 1 66 66 ARG HD3 H 1 3.231 0.005 . 2 . . . . . . . . 4688 1 692 . 1 1 66 66 ARG HE H 1 7.877 0.005 . 1 . . . . . . . . 4688 1 693 . 1 1 66 66 ARG CA C 13 59.713 0.05 . 1 . . . . . . . . 4688 1 694 . 1 1 66 66 ARG CB C 13 30.575 0.05 . 1 . . . . . . . . 4688 1 695 . 1 1 66 66 ARG CG C 13 26.958 0.05 . 1 . . . . . . . . 4688 1 696 . 1 1 66 66 ARG CD C 13 43.163 0.05 . 1 . . . . . . . . 4688 1 697 . 1 1 66 66 ARG N N 15 119.132 0.05 . 1 . . . . . . . . 4688 1 698 . 1 1 66 66 ARG NE N 15 83.602 0.05 . 1 . . . . . . . . 4688 1 699 . 1 1 67 67 GLN H H 1 7.798 0.005 . 1 . . . . . . . . 4688 1 700 . 1 1 67 67 GLN HA H 1 4.038 0.005 . 1 . . . . . . . . 4688 1 701 . 1 1 67 67 GLN HB2 H 1 2.352 0.005 . 2 . . . . . . . . 4688 1 702 . 1 1 67 67 GLN HB3 H 1 2.198 0.005 . 2 . . . . . . . . 4688 1 703 . 1 1 67 67 GLN HG2 H 1 2.609 0.005 . 2 . . . . . . . . 4688 1 704 . 1 1 67 67 GLN HG3 H 1 2.501 0.005 . 2 . . . . . . . . 4688 1 705 . 1 1 67 67 GLN HE21 H 1 6.945 0.005 . 1 . . . . . . . . 4688 1 706 . 1 1 67 67 GLN HE22 H 1 7.242 0.005 . 1 . . . . . . . . 4688 1 707 . 1 1 67 67 GLN CA C 13 58.956 0.05 . 1 . . . . . . . . 4688 1 708 . 1 1 67 67 GLN CB C 13 28.586 0.05 . 1 . . . . . . . . 4688 1 709 . 1 1 67 67 GLN CG C 13 34.07 0.05 . 1 . . . . . . . . 4688 1 710 . 1 1 67 67 GLN N N 15 118.658 0.05 . 1 . . . . . . . . 4688 1 711 . 1 1 67 67 GLN NE2 N 15 111.839 0.05 . 1 . . . . . . . . 4688 1 712 . 1 1 68 68 VAL H H 1 8.43 0.005 . 1 . . . . . . . . 4688 1 713 . 1 1 68 68 VAL HA H 1 3.457 0.005 . 1 . . . . . . . . 4688 1 714 . 1 1 68 68 VAL HB H 1 2.296 0.005 . 1 . . . . . . . . 4688 1 715 . 1 1 68 68 VAL HG11 H 1 0.938 0.005 . 2 . . . . . . . . 4688 1 716 . 1 1 68 68 VAL HG12 H 1 0.938 0.005 . 2 . . . . . . . . 4688 1 717 . 1 1 68 68 VAL HG13 H 1 0.938 0.005 . 2 . . . . . . . . 4688 1 718 . 1 1 68 68 VAL HG21 H 1 0.746 0.005 . 2 . . . . . . . . 4688 1 719 . 1 1 68 68 VAL HG22 H 1 0.746 0.005 . 2 . . . . . . . . 4688 1 720 . 1 1 68 68 VAL HG23 H 1 0.746 0.005 . 2 . . . . . . . . 4688 1 721 . 1 1 68 68 VAL CA C 13 66.918 0.05 . 1 . . . . . . . . 4688 1 722 . 1 1 68 68 VAL CB C 13 30.539 0.05 . 1 . . . . . . . . 4688 1 723 . 1 1 68 68 VAL CG1 C 13 23.368 0.05 . 2 . . . . . . . . 4688 1 724 . 1 1 68 68 VAL CG2 C 13 21.729 0.05 . 2 . . . . . . . . 4688 1 725 . 1 1 68 68 VAL N N 15 123.165 0.05 . 1 . . . . . . . . 4688 1 726 . 1 1 69 69 GLY H H 1 8.067 0.005 . 1 . . . . . . . . 4688 1 727 . 1 1 69 69 GLY HA2 H 1 4.477 0.005 . 1 . . . . . . . . 4688 1 728 . 1 1 69 69 GLY HA3 H 1 3.528 0.005 . 1 . . . . . . . . 4688 1 729 . 1 1 69 69 GLY CA C 13 48.017 0.05 . 1 . . . . . . . . 4688 1 730 . 1 1 69 69 GLY N N 15 107.665 0.05 . 1 . . . . . . . . 4688 1 731 . 1 1 70 70 ARG H H 1 8.215 0.005 . 1 . . . . . . . . 4688 1 732 . 1 1 70 70 ARG HA H 1 3.921 0.005 . 1 . . . . . . . . 4688 1 733 . 1 1 70 70 ARG HB2 H 1 1.912 0.005 . 1 . . . . . . . . 4688 1 734 . 1 1 70 70 ARG HG2 H 1 1.73 0.005 . 1 . . . . . . . . 4688 1 735 . 1 1 70 70 ARG HD2 H 1 3.236 0.005 . 1 . . . . . . . . 4688 1 736 . 1 1 70 70 ARG CA C 13 59.745 0.05 . 1 . . . . . . . . 4688 1 737 . 1 1 70 70 ARG CB C 13 30.077 0.05 . 1 . . . . . . . . 4688 1 738 . 1 1 70 70 ARG CG C 13 27.823 0.05 . 1 . . . . . . . . 4688 1 739 . 1 1 70 70 ARG CD C 13 43.125 0.05 . 1 . . . . . . . . 4688 1 740 . 1 1 70 70 ARG N N 15 122.165 0.05 . 1 . . . . . . . . 4688 1 741 . 1 1 71 71 ALA H H 1 8.323 0.005 . 1 . . . . . . . . 4688 1 742 . 1 1 71 71 ALA HA H 1 4.249 0.005 . 1 . . . . . . . . 4688 1 743 . 1 1 71 71 ALA HB1 H 1 1.57 0.005 . 1 . . . . . . . . 4688 1 744 . 1 1 71 71 ALA HB2 H 1 1.57 0.005 . 1 . . . . . . . . 4688 1 745 . 1 1 71 71 ALA HB3 H 1 1.57 0.005 . 1 . . . . . . . . 4688 1 746 . 1 1 71 71 ALA CA C 13 54.909 0.05 . 1 . . . . . . . . 4688 1 747 . 1 1 71 71 ALA CB C 13 18.641 0.05 . 1 . . . . . . . . 4688 1 748 . 1 1 71 71 ALA N N 15 123.264 0.05 . 1 . . . . . . . . 4688 1 749 . 1 1 72 72 LEU H H 1 8.328 0.005 . 1 . . . . . . . . 4688 1 750 . 1 1 72 72 LEU HA H 1 3.814 0.005 . 1 . . . . . . . . 4688 1 751 . 1 1 72 72 LEU HB2 H 1 2.125 0.005 . 2 . . . . . . . . 4688 1 752 . 1 1 72 72 LEU HB3 H 1 1.529 0.005 . 2 . . . . . . . . 4688 1 753 . 1 1 72 72 LEU HG H 1 1.506 0.005 . 1 . . . . . . . . 4688 1 754 . 1 1 72 72 LEU HD11 H 1 0.768 0.005 . 1 . . . . . . . . 4688 1 755 . 1 1 72 72 LEU HD12 H 1 0.768 0.005 . 1 . . . . . . . . 4688 1 756 . 1 1 72 72 LEU HD13 H 1 0.768 0.005 . 1 . . . . . . . . 4688 1 757 . 1 1 72 72 LEU CA C 13 57.923 0.05 . 1 . . . . . . . . 4688 1 758 . 1 1 72 72 LEU CB C 13 42.011 0.05 . 1 . . . . . . . . 4688 1 759 . 1 1 72 72 LEU CG C 13 26.302 0.05 . 1 . . . . . . . . 4688 1 760 . 1 1 72 72 LEU CD1 C 13 23.897 0.05 . 1 . . . . . . . . 4688 1 761 . 1 1 72 72 LEU N N 15 119.418 0.05 . 1 . . . . . . . . 4688 1 762 . 1 1 73 73 ALA H H 1 8.097 0.005 . 1 . . . . . . . . 4688 1 763 . 1 1 73 73 ALA HA H 1 3.926 0.005 . 1 . . . . . . . . 4688 1 764 . 1 1 73 73 ALA HB1 H 1 1.721 0.005 . 1 . . . . . . . . 4688 1 765 . 1 1 73 73 ALA HB2 H 1 1.721 0.005 . 1 . . . . . . . . 4688 1 766 . 1 1 73 73 ALA HB3 H 1 1.721 0.005 . 1 . . . . . . . . 4688 1 767 . 1 1 73 73 ALA CA C 13 55.49 0.05 . 1 . . . . . . . . 4688 1 768 . 1 1 73 73 ALA CB C 13 19.138 0.05 . 1 . . . . . . . . 4688 1 769 . 1 1 73 73 ALA N N 15 120.413 0.05 . 1 . . . . . . . . 4688 1 770 . 1 1 74 74 GLU H H 1 8.215 0.005 . 1 . . . . . . . . 4688 1 771 . 1 1 74 74 GLU HA H 1 4.05 0.005 . 1 . . . . . . . . 4688 1 772 . 1 1 74 74 GLU HB2 H 1 2.293 0.005 . 2 . . . . . . . . 4688 1 773 . 1 1 74 74 GLU HB3 H 1 2.196 0.005 . 2 . . . . . . . . 4688 1 774 . 1 1 74 74 GLU HG2 H 1 2.584 0.005 . 2 . . . . . . . . 4688 1 775 . 1 1 74 74 GLU HG3 H 1 2.358 0.005 . 2 . . . . . . . . 4688 1 776 . 1 1 74 74 GLU CA C 13 59.97 0.05 . 1 . . . . . . . . 4688 1 777 . 1 1 74 74 GLU CB C 13 29.58 0.05 . 1 . . . . . . . . 4688 1 778 . 1 1 74 74 GLU CG C 13 36.347 0.05 . 1 . . . . . . . . 4688 1 779 . 1 1 74 74 GLU N N 15 117.743 0.05 . 1 . . . . . . . . 4688 1 780 . 1 1 75 75 LYS H H 1 7.788 0.005 . 1 . . . . . . . . 4688 1 781 . 1 1 75 75 LYS HA H 1 4.175 0.005 . 1 . . . . . . . . 4688 1 782 . 1 1 75 75 LYS HB2 H 1 1.951 0.005 . 2 . . . . . . . . 4688 1 783 . 1 1 75 75 LYS HB3 H 1 1.873 0.005 . 2 . . . . . . . . 4688 1 784 . 1 1 75 75 LYS HG2 H 1 1.874 0.005 . 2 . . . . . . . . 4688 1 785 . 1 1 75 75 LYS HG3 H 1 1.655 0.005 . 2 . . . . . . . . 4688 1 786 . 1 1 75 75 LYS HD2 H 1 1.855 0.005 . 2 . . . . . . . . 4688 1 787 . 1 1 75 75 LYS HD3 H 1 1.748 0.005 . 2 . . . . . . . . 4688 1 788 . 1 1 75 75 LYS HE2 H 1 3.158 0.005 . 2 . . . . . . . . 4688 1 789 . 1 1 75 75 LYS HE3 H 1 3.106 0.005 . 2 . . . . . . . . 4688 1 790 . 1 1 75 75 LYS CA C 13 59.27 0.05 . 1 . . . . . . . . 4688 1 791 . 1 1 75 75 LYS CB C 13 33.558 0.05 . 1 . . . . . . . . 4688 1 792 . 1 1 75 75 LYS CG C 13 25.641 0.05 . 1 . . . . . . . . 4688 1 793 . 1 1 75 75 LYS CD C 13 29.666 0.05 . 1 . . . . . . . . 4688 1 794 . 1 1 75 75 LYS CE C 13 42.382 0.05 . 1 . . . . . . . . 4688 1 795 . 1 1 75 75 LYS N N 15 119.066 0.05 . 1 . . . . . . . . 4688 1 796 . 1 1 76 76 ALA H H 1 8.662 0.005 . 1 . . . . . . . . 4688 1 797 . 1 1 76 76 ALA HA H 1 4.007 0.005 . 1 . . . . . . . . 4688 1 798 . 1 1 76 76 ALA HB1 H 1 1.49 0.005 . 1 . . . . . . . . 4688 1 799 . 1 1 76 76 ALA HB2 H 1 1.49 0.005 . 1 . . . . . . . . 4688 1 800 . 1 1 76 76 ALA HB3 H 1 1.49 0.005 . 1 . . . . . . . . 4688 1 801 . 1 1 76 76 ALA CA C 13 55.386 0.05 . 1 . . . . . . . . 4688 1 802 . 1 1 76 76 ALA CB C 13 18.642 0.05 . 1 . . . . . . . . 4688 1 803 . 1 1 76 76 ALA N N 15 122.592 0.05 . 1 . . . . . . . . 4688 1 804 . 1 1 77 77 LEU H H 1 9.064 0.005 . 1 . . . . . . . . 4688 1 805 . 1 1 77 77 LEU HA H 1 4.191 0.005 . 1 . . . . . . . . 4688 1 806 . 1 1 77 77 LEU HB2 H 1 1.93 0.005 . 2 . . . . . . . . 4688 1 807 . 1 1 77 77 LEU HB3 H 1 1.651 0.005 . 2 . . . . . . . . 4688 1 808 . 1 1 77 77 LEU HG H 1 1.923 0.005 . 1 . . . . . . . . 4688 1 809 . 1 1 77 77 LEU HD11 H 1 1.027 0.005 . 1 . . . . . . . . 4688 1 810 . 1 1 77 77 LEU HD12 H 1 1.027 0.005 . 1 . . . . . . . . 4688 1 811 . 1 1 77 77 LEU HD13 H 1 1.027 0.005 . 1 . . . . . . . . 4688 1 812 . 1 1 77 77 LEU CA C 13 58.734 0.05 . 1 . . . . . . . . 4688 1 813 . 1 1 77 77 LEU CB C 13 41.017 0.05 . 1 . . . . . . . . 4688 1 814 . 1 1 77 77 LEU CG C 13 28.909 0.05 . 1 . . . . . . . . 4688 1 815 . 1 1 77 77 LEU CD1 C 13 24.258 0.05 . 1 . . . . . . . . 4688 1 816 . 1 1 77 77 LEU N N 15 121.873 0.05 . 1 . . . . . . . . 4688 1 817 . 1 1 78 78 ALA H H 1 7.383 0.005 . 1 . . . . . . . . 4688 1 818 . 1 1 78 78 ALA HA H 1 4.307 0.005 . 1 . . . . . . . . 4688 1 819 . 1 1 78 78 ALA HB1 H 1 1.651 0.005 . 1 . . . . . . . . 4688 1 820 . 1 1 78 78 ALA HB2 H 1 1.651 0.005 . 1 . . . . . . . . 4688 1 821 . 1 1 78 78 ALA HB3 H 1 1.651 0.005 . 1 . . . . . . . . 4688 1 822 . 1 1 78 78 ALA CA C 13 54.579 0.05 . 1 . . . . . . . . 4688 1 823 . 1 1 78 78 ALA CB C 13 18.135 0.05 . 1 . . . . . . . . 4688 1 824 . 1 1 78 78 ALA N N 15 122.363 0.05 . 1 . . . . . . . . 4688 1 825 . 1 1 79 79 LEU H H 1 7.426 0.005 . 1 . . . . . . . . 4688 1 826 . 1 1 79 79 LEU HA H 1 4.529 0.005 . 1 . . . . . . . . 4688 1 827 . 1 1 79 79 LEU HB2 H 1 1.934 0.005 . 2 . . . . . . . . 4688 1 828 . 1 1 79 79 LEU HB3 H 1 1.863 0.005 . 2 . . . . . . . . 4688 1 829 . 1 1 79 79 LEU HG H 1 1.914 0.005 . 1 . . . . . . . . 4688 1 830 . 1 1 79 79 LEU HD11 H 1 0.952 0.005 . 2 . . . . . . . . 4688 1 831 . 1 1 79 79 LEU HD12 H 1 0.952 0.005 . 2 . . . . . . . . 4688 1 832 . 1 1 79 79 LEU HD13 H 1 0.952 0.005 . 2 . . . . . . . . 4688 1 833 . 1 1 79 79 LEU HD21 H 1 0.979 0.005 . 2 . . . . . . . . 4688 1 834 . 1 1 79 79 LEU HD22 H 1 0.979 0.005 . 2 . . . . . . . . 4688 1 835 . 1 1 79 79 LEU HD23 H 1 0.979 0.005 . 2 . . . . . . . . 4688 1 836 . 1 1 79 79 LEU CA C 13 54.472 0.05 . 1 . . . . . . . . 4688 1 837 . 1 1 79 79 LEU CB C 13 43.006 0.05 . 1 . . . . . . . . 4688 1 838 . 1 1 79 79 LEU CG C 13 26.710 0.05 . 1 . . . . . . . . 4688 1 839 . 1 1 79 79 LEU CD1 C 13 25.833 0.05 . 1 . . . . . . . . 4688 1 840 . 1 1 79 79 LEU CD2 C 13 22.723 0.05 . 1 . . . . . . . . 4688 1 841 . 1 1 79 79 LEU N N 15 118.25 0.05 . 1 . . . . . . . . 4688 1 842 . 1 1 80 80 GLY H H 1 7.971 0.005 . 1 . . . . . . . . 4688 1 843 . 1 1 80 80 GLY HA2 H 1 4.27 0.005 . 1 . . . . . . . . 4688 1 844 . 1 1 80 80 GLY HA3 H 1 3.786 0.005 . 1 . . . . . . . . 4688 1 845 . 1 1 80 80 GLY CA C 13 45.55 0.05 . 1 . . . . . . . . 4688 1 846 . 1 1 80 80 GLY N N 15 108.32 0.05 . 1 . . . . . . . . 4688 1 847 . 1 1 81 81 ILE H H 1 7.855 0.005 . 1 . . . . . . . . 4688 1 848 . 1 1 81 81 ILE HA H 1 3.909 0.005 . 1 . . . . . . . . 4688 1 849 . 1 1 81 81 ILE HB H 1 1.661 0.005 . 1 . . . . . . . . 4688 1 850 . 1 1 81 81 ILE HG12 H 1 0.93 0.005 . 2 . . . . . . . . 4688 1 851 . 1 1 81 81 ILE HG13 H 1 0.881 0.005 . 2 . . . . . . . . 4688 1 852 . 1 1 81 81 ILE HG21 H 1 0.743 0.005 . 1 . . . . . . . . 4688 1 853 . 1 1 81 81 ILE HG22 H 1 0.743 0.005 . 1 . . . . . . . . 4688 1 854 . 1 1 81 81 ILE HG23 H 1 0.743 0.005 . 1 . . . . . . . . 4688 1 855 . 1 1 81 81 ILE HD11 H 1 0.705 0.005 . 1 . . . . . . . . 4688 1 856 . 1 1 81 81 ILE HD12 H 1 0.705 0.005 . 1 . . . . . . . . 4688 1 857 . 1 1 81 81 ILE HD13 H 1 0.705 0.005 . 1 . . . . . . . . 4688 1 858 . 1 1 81 81 ILE CA C 13 61.575 0.05 . 1 . . . . . . . . 4688 1 859 . 1 1 81 81 ILE CB C 13 38.56 0.05 . 1 . . . . . . . . 4688 1 860 . 1 1 81 81 ILE CG1 C 13 26.67 0.05 . 1 . . . . . . . . 4688 1 861 . 1 1 81 81 ILE CG2 C 13 17.173 0.05 . 1 . . . . . . . . 4688 1 862 . 1 1 81 81 ILE N N 15 124.282 0.05 . 1 . . . . . . . . 4688 1 863 . 1 1 82 82 LYS H H 1 8.223 0.005 . 1 . . . . . . . . 4688 1 864 . 1 1 82 82 LYS HA H 1 4.645 0.005 . 1 . . . . . . . . 4688 1 865 . 1 1 82 82 LYS HB2 H 1 1.918 0.005 . 2 . . . . . . . . 4688 1 866 . 1 1 82 82 LYS HB3 H 1 1.712 0.005 . 2 . . . . . . . . 4688 1 867 . 1 1 82 82 LYS HG2 H 1 1.534 0.005 . 2 . . . . . . . . 4688 1 868 . 1 1 82 82 LYS HG3 H 1 1.457 0.005 . 2 . . . . . . . . 4688 1 869 . 1 1 82 82 LYS HD2 H 1 1.549 0.005 . 1 . . . . . . . . 4688 1 870 . 1 1 82 82 LYS HE2 H 1 3.063 0.005 . 1 . . . . . . . . 4688 1 871 . 1 1 82 82 LYS CA C 13 56.956 0.05 . 1 . . . . . . . . 4688 1 872 . 1 1 82 82 LYS CB C 13 36.07 0.05 . 1 . . . . . . . . 4688 1 873 . 1 1 82 82 LYS CG C 13 25.215 0.05 . 1 . . . . . . . . 4688 1 874 . 1 1 82 82 LYS CD C 13 28.868 0.05 . 1 . . . . . . . . 4688 1 875 . 1 1 82 82 LYS CE C 13 42.522 0.05 . 1 . . . . . . . . 4688 1 876 . 1 1 82 82 LYS N N 15 123.853 0.05 . 1 . . . . . . . . 4688 1 877 . 1 1 83 83 GLN H H 1 7.85 0.005 . 1 . . . . . . . . 4688 1 878 . 1 1 83 83 GLN HA H 1 5.441 0.005 . 1 . . . . . . . . 4688 1 879 . 1 1 83 83 GLN HB2 H 1 2.144 0.005 . 2 . . . . . . . . 4688 1 880 . 1 1 83 83 GLN HB3 H 1 2.095 0.005 . 2 . . . . . . . . 4688 1 881 . 1 1 83 83 GLN HG2 H 1 2.438 0.005 . 1 . . . . . . . . 4688 1 882 . 1 1 83 83 GLN HE21 H 1 6.828 0.005 . 1 . . . . . . . . 4688 1 883 . 1 1 83 83 GLN HE22 H 1 7.633 0.005 . 1 . . . . . . . . 4688 1 884 . 1 1 83 83 GLN CA C 13 55.316 0.05 . 1 . . . . . . . . 4688 1 885 . 1 1 83 83 GLN CB C 13 30.566 0.05 . 1 . . . . . . . . 4688 1 886 . 1 1 83 83 GLN CG C 13 33.97 0.05 . 1 . . . . . . . . 4688 1 887 . 1 1 83 83 GLN N N 15 118.9 0.05 . 1 . . . . . . . . 4688 1 888 . 1 1 83 83 GLN NE2 N 15 112.928 0.05 . 1 . . . . . . . . 4688 1 889 . 1 1 84 84 VAL H H 1 8.528 0.005 . 1 . . . . . . . . 4688 1 890 . 1 1 84 84 VAL HA H 1 4.876 0.005 . 1 . . . . . . . . 4688 1 891 . 1 1 84 84 VAL HB H 1 2.065 0.005 . 1 . . . . . . . . 4688 1 892 . 1 1 84 84 VAL HG11 H 1 0.793 0.005 . 2 . . . . . . . . 4688 1 893 . 1 1 84 84 VAL HG12 H 1 0.793 0.005 . 2 . . . . . . . . 4688 1 894 . 1 1 84 84 VAL HG13 H 1 0.793 0.005 . 2 . . . . . . . . 4688 1 895 . 1 1 84 84 VAL HG21 H 1 0.739 0.005 . 2 . . . . . . . . 4688 1 896 . 1 1 84 84 VAL HG22 H 1 0.739 0.005 . 2 . . . . . . . . 4688 1 897 . 1 1 84 84 VAL HG23 H 1 0.739 0.005 . 2 . . . . . . . . 4688 1 898 . 1 1 84 84 VAL CA C 13 58.558 0.05 . 1 . . . . . . . . 4688 1 899 . 1 1 84 84 VAL CB C 13 36.541 0.05 . 1 . . . . . . . . 4688 1 900 . 1 1 84 84 VAL CG1 C 13 22.952 0.05 . 2 . . . . . . . . 4688 1 901 . 1 1 84 84 VAL CG2 C 13 19.5 0.05 . 2 . . . . . . . . 4688 1 902 . 1 1 84 84 VAL N N 15 116.122 0.05 . 1 . . . . . . . . 4688 1 903 . 1 1 85 85 ALA H H 1 8.544 0.005 . 1 . . . . . . . . 4688 1 904 . 1 1 85 85 ALA HA H 1 5.021 0.005 . 1 . . . . . . . . 4688 1 905 . 1 1 85 85 ALA HB1 H 1 1.457 0.005 . 1 . . . . . . . . 4688 1 906 . 1 1 85 85 ALA HB2 H 1 1.457 0.005 . 1 . . . . . . . . 4688 1 907 . 1 1 85 85 ALA HB3 H 1 1.457 0.005 . 1 . . . . . . . . 4688 1 908 . 1 1 85 85 ALA CA C 13 50.704 0.05 . 1 . . . . . . . . 4688 1 909 . 1 1 85 85 ALA CB C 13 20.133 0.05 . 1 . . . . . . . . 4688 1 910 . 1 1 85 85 ALA N N 15 122.61 0.05 . 1 . . . . . . . . 4688 1 911 . 1 1 86 86 PHE H H 1 9.263 0.005 . 1 . . . . . . . . 4688 1 912 . 1 1 86 86 PHE HA H 1 4.734 0.005 . 1 . . . . . . . . 4688 1 913 . 1 1 86 86 PHE HB2 H 1 3.113 0.005 . 2 . . . . . . . . 4688 1 914 . 1 1 86 86 PHE HB3 H 1 2.483 0.005 . 2 . . . . . . . . 4688 1 915 . 1 1 86 86 PHE HD1 H 1 6.952 0.005 . 1 . . . . . . . . 4688 1 916 . 1 1 86 86 PHE HE1 H 1 7.034 0.005 . 1 . . . . . . . . 4688 1 917 . 1 1 86 86 PHE HZ H 1 7.092 0.005 . 1 . . . . . . . . 4688 1 918 . 1 1 86 86 PHE CA C 13 57.33 0.05 . 1 . . . . . . . . 4688 1 919 . 1 1 86 86 PHE CB C 13 40.52 0.05 . 1 . . . . . . . . 4688 1 920 . 1 1 86 86 PHE N N 15 125.656 0.05 . 1 . . . . . . . . 4688 1 921 . 1 1 87 87 ASP H H 1 8.846 0.005 . 1 . . . . . . . . 4688 1 922 . 1 1 87 87 ASP HA H 1 4.814 0.005 . 1 . . . . . . . . 4688 1 923 . 1 1 87 87 ASP HB2 H 1 2.861 0.005 . 2 . . . . . . . . 4688 1 924 . 1 1 87 87 ASP HB3 H 1 2.421 0.005 . 2 . . . . . . . . 4688 1 925 . 1 1 87 87 ASP CA C 13 52.35 0.05 . 1 . . . . . . . . 4688 1 926 . 1 1 87 87 ASP CB C 13 42.011 0.05 . 1 . . . . . . . . 4688 1 927 . 1 1 87 87 ASP N N 15 131.656 0.05 . 1 . . . . . . . . 4688 1 928 . 1 1 88 88 ARG H H 1 8.218 0.005 . 1 . . . . . . . . 4688 1 929 . 1 1 88 88 ARG HA H 1 4.056 0.005 . 1 . . . . . . . . 4688 1 930 . 1 1 88 88 ARG HB2 H 1 1.972 0.005 . 2 . . . . . . . . 4688 1 931 . 1 1 88 88 ARG HB3 H 1 1.713 0.005 . 2 . . . . . . . . 4688 1 932 . 1 1 88 88 ARG HG2 H 1 1.616 0.005 . 1 . . . . . . . . 4688 1 933 . 1 1 88 88 ARG HD2 H 1 3.303 0.005 . 2 . . . . . . . . 4688 1 934 . 1 1 88 88 ARG HD3 H 1 3.191 0.005 . 2 . . . . . . . . 4688 1 935 . 1 1 88 88 ARG CA C 13 55.955 0.05 . 1 . . . . . . . . 4688 1 936 . 1 1 88 88 ARG CB C 13 30.077 0.05 . 1 . . . . . . . . 4688 1 937 . 1 1 88 88 ARG CG C 13 26.683 0.05 . 1 . . . . . . . . 4688 1 938 . 1 1 88 88 ARG CD C 13 44.030 0.05 . 1 . . . . . . . . 4688 1 939 . 1 1 88 88 ARG N N 15 123.263 0.05 . 1 . . . . . . . . 4688 1 940 . 1 1 89 89 GLY H H 1 8.266 0.005 . 1 . . . . . . . . 4688 1 941 . 1 1 89 89 GLY HA2 H 1 4.061 0.005 . 1 . . . . . . . . 4688 1 942 . 1 1 89 89 GLY HA3 H 1 3.684 0.005 . 1 . . . . . . . . 4688 1 943 . 1 1 89 89 GLY CA C 13 45.118 0.05 . 1 . . . . . . . . 4688 1 944 . 1 1 89 89 GLY N N 15 109.4 0.05 . 1 . . . . . . . . 4688 1 945 . 1 1 90 90 PRO HA H 1 4.535 0.005 . 1 . . . . . . . . 4688 1 946 . 1 1 90 90 PRO HB2 H 1 2.025 0.005 . 2 . . . . . . . . 4688 1 947 . 1 1 90 90 PRO HB3 H 1 1.888 0.005 . 2 . . . . . . . . 4688 1 948 . 1 1 90 90 PRO HG2 H 1 1.809 0.005 . 2 . . . . . . . . 4688 1 949 . 1 1 90 90 PRO HG3 H 1 0.924 0.005 . 2 . . . . . . . . 4688 1 950 . 1 1 90 90 PRO HD2 H 1 3.485 0.005 . 2 . . . . . . . . 4688 1 951 . 1 1 90 90 PRO HD3 H 1 3.357 0.005 . 2 . . . . . . . . 4688 1 952 . 1 1 90 90 PRO CA C 13 62.799 0.05 . 1 . . . . . . . . 4688 1 953 . 1 1 90 90 PRO CB C 13 32.132 0.05 . 1 . . . . . . . . 4688 1 954 . 1 1 90 90 PRO CG C 13 25.087 0.05 . 1 . . . . . . . . 4688 1 955 . 1 1 90 90 PRO CD C 13 50.254 0.05 . 1 . . . . . . . . 4688 1 956 . 1 1 91 91 TYR H H 1 7.692 0.005 . 1 . . . . . . . . 4688 1 957 . 1 1 91 91 TYR HA H 1 4.868 0.005 . 1 . . . . . . . . 4688 1 958 . 1 1 91 91 TYR HB2 H 1 3.52 0.005 . 2 . . . . . . . . 4688 1 959 . 1 1 91 91 TYR HB3 H 1 3.034 0.005 . 2 . . . . . . . . 4688 1 960 . 1 1 91 91 TYR HD1 H 1 7.332 0.005 . 1 . . . . . . . . 4688 1 961 . 1 1 91 91 TYR HE1 H 1 7.067 0.005 . 1 . . . . . . . . 4688 1 962 . 1 1 91 91 TYR CA C 13 57.048 0.05 . 1 . . . . . . . . 4688 1 963 . 1 1 91 91 TYR CB C 13 39.525 0.05 . 1 . . . . . . . . 4688 1 964 . 1 1 91 91 TYR N N 15 122.315 0.05 . 1 . . . . . . . . 4688 1 965 . 1 1 92 92 LYS H H 1 8.61 0.005 . 1 . . . . . . . . 4688 1 966 . 1 1 92 92 LYS HA H 1 4.352 0.005 . 1 . . . . . . . . 4688 1 967 . 1 1 92 92 LYS HE2 H 1 3.288 0.005 . 2 . . . . . . . . 4688 1 968 . 1 1 92 92 LYS HE3 H 1 3.190 0.05 . 2 . . . . . . . . 4688 1 969 . 1 1 92 92 LYS CA C 13 56.273 0.05 . 1 . . . . . . . . 4688 1 970 . 1 1 92 92 LYS CB C 13 33.314 0.05 . 1 . . . . . . . . 4688 1 971 . 1 1 92 92 LYS N N 15 122.165 0.05 . 1 . . . . . . . . 4688 1 972 . 1 1 93 93 TYR H H 1 9.037 0.005 . 1 . . . . . . . . 4688 1 973 . 1 1 93 93 TYR HA H 1 4.525 0.005 . 1 . . . . . . . . 4688 1 974 . 1 1 93 93 TYR HB2 H 1 3.395 0.005 . 2 . . . . . . . . 4688 1 975 . 1 1 93 93 TYR HB3 H 1 2.715 0.005 . 2 . . . . . . . . 4688 1 976 . 1 1 93 93 TYR HD1 H 1 7.161 0.005 . 1 . . . . . . . . 4688 1 977 . 1 1 93 93 TYR HE1 H 1 6.764 0.005 . 1 . . . . . . . . 4688 1 978 . 1 1 93 93 TYR CA C 13 57.942 0.05 . 1 . . . . . . . . 4688 1 979 . 1 1 93 93 TYR CB C 13 36.43 0.05 . 1 . . . . . . . . 4688 1 980 . 1 1 93 93 TYR N N 15 124.765 0.05 . 1 . . . . . . . . 4688 1 981 . 1 1 94 94 HIS H H 1 7.913 0.005 . 1 . . . . . . . . 4688 1 982 . 1 1 94 94 HIS HA H 1 4.524 0.005 . 1 . . . . . . . . 4688 1 983 . 1 1 94 94 HIS HB2 H 1 3.24 0.005 . 2 . . . . . . . . 4688 1 984 . 1 1 94 94 HIS HB3 H 1 3.109 0.005 . 2 . . . . . . . . 4688 1 985 . 1 1 94 94 HIS CA C 13 55.346 0.05 . 1 . . . . . . . . 4688 1 986 . 1 1 94 94 HIS CB C 13 33.077 0.05 . 1 . . . . . . . . 4688 1 987 . 1 1 94 94 HIS N N 15 123.63 0.05 . 1 . . . . . . . . 4688 1 988 . 1 1 95 95 GLY H H 1 8.818 0.005 . 1 . . . . . . . . 4688 1 989 . 1 1 95 95 GLY HA2 H 1 4.082 0.005 . 1 . . . . . . . . 4688 1 990 . 1 1 95 95 GLY HA3 H 1 3.69 0.005 . 1 . . . . . . . . 4688 1 991 . 1 1 95 95 GLY CA C 13 46.585 0.05 . 1 . . . . . . . . 4688 1 992 . 1 1 95 95 GLY N N 15 112.242 0.05 . 1 . . . . . . . . 4688 1 993 . 1 1 96 96 ARG HB2 H 1 1.897 0.005 . 2 . . . . . . . . 4688 1 994 . 1 1 96 96 ARG HB3 H 1 1.719 0.005 . 2 . . . . . . . . 4688 1 995 . 1 1 96 96 ARG HG2 H 1 1.978 0.005 . 2 . . . . . . . . 4688 1 996 . 1 1 96 96 ARG HG3 H 1 1.496 0.005 . 2 . . . . . . . . 4688 1 997 . 1 1 96 96 ARG HD2 H 1 3.254 0.005 . 2 . . . . . . . . 4688 1 998 . 1 1 96 96 ARG HD3 H 1 3.124 0.005 . 2 . . . . . . . . 4688 1 999 . 1 1 96 96 ARG CA C 13 60.221 0.05 . 1 . . . . . . . . 4688 1 1000 . 1 1 96 96 ARG CB C 13 32.103 0.05 . 1 . . . . . . . . 4688 1 1001 . 1 1 96 96 ARG CG C 13 27.504 0.05 . 1 . . . . . . . . 4688 1 1002 . 1 1 96 96 ARG CD C 13 45.255 0.05 . 1 . . . . . . . . 4688 1 1003 . 1 1 97 97 VAL H H 1 8.162 0.005 . 1 . . . . . . . . 4688 1 1004 . 1 1 97 97 VAL HA H 1 3.501 0.005 . 1 . . . . . . . . 4688 1 1005 . 1 1 97 97 VAL HB H 1 2.413 0.005 . 1 . . . . . . . . 4688 1 1006 . 1 1 97 97 VAL HG11 H 1 1.2 0.005 . 2 . . . . . . . . 4688 1 1007 . 1 1 97 97 VAL HG12 H 1 1.2 0.005 . 2 . . . . . . . . 4688 1 1008 . 1 1 97 97 VAL HG13 H 1 1.2 0.005 . 2 . . . . . . . . 4688 1 1009 . 1 1 97 97 VAL HG21 H 1 1.028 0.005 . 2 . . . . . . . . 4688 1 1010 . 1 1 97 97 VAL HG22 H 1 1.028 0.005 . 2 . . . . . . . . 4688 1 1011 . 1 1 97 97 VAL HG23 H 1 1.028 0.005 . 2 . . . . . . . . 4688 1 1012 . 1 1 97 97 VAL CA C 13 67.807 0.05 . 1 . . . . . . . . 4688 1 1013 . 1 1 97 97 VAL CB C 13 32.066 0.05 . 1 . . . . . . . . 4688 1 1014 . 1 1 97 97 VAL CG1 C 13 21.155 0.05 . 2 . . . . . . . . 4688 1 1015 . 1 1 97 97 VAL CG2 C 13 23.283 0.05 . 2 . . . . . . . . 4688 1 1016 . 1 1 97 97 VAL N N 15 119.657 0.05 . 1 . . . . . . . . 4688 1 1017 . 1 1 98 98 LYS H H 1 6.363 0.005 . 1 . . . . . . . . 4688 1 1018 . 1 1 98 98 LYS HA H 1 3.492 0.005 . 1 . . . . . . . . 4688 1 1019 . 1 1 98 98 LYS HB2 H 1 1.348 0.005 . 2 . . . . . . . . 4688 1 1020 . 1 1 98 98 LYS HB3 H 1 0.59 0.005 . 2 . . . . . . . . 4688 1 1021 . 1 1 98 98 LYS HG2 H 1 1.026 0.005 . 2 . . . . . . . . 4688 1 1022 . 1 1 98 98 LYS HG3 H 1 0.903 0.005 . 2 . . . . . . . . 4688 1 1023 . 1 1 98 98 LYS HD2 H 1 1.493 0.005 . 2 . . . . . . . . 4688 1 1024 . 1 1 98 98 LYS HD3 H 1 1.377 0.005 . 2 . . . . . . . . 4688 1 1025 . 1 1 98 98 LYS HE2 H 1 3.064 0.005 . 1 . . . . . . . . 4688 1 1026 . 1 1 98 98 LYS HE3 H 1 2.985 0.005 . 1 . . . . . . . . 4688 1 1027 . 1 1 98 98 LYS CA C 13 58.454 0.05 . 1 . . . . . . . . 4688 1 1028 . 1 1 98 98 LYS CB C 13 32.257 0.05 . 1 . . . . . . . . 4688 1 1029 . 1 1 98 98 LYS CG C 13 23.843 0.05 . 1 . . . . . . . . 4688 1 1030 . 1 1 98 98 LYS CD C 13 30.144 0.05 . 1 . . . . . . . . 4688 1 1031 . 1 1 98 98 LYS CE C 13 41.983 0.05 . 1 . . . . . . . . 4688 1 1032 . 1 1 98 98 LYS N N 15 119.432 0.05 . 1 . . . . . . . . 4688 1 1033 . 1 1 99 99 ALA H H 1 7.828 0.005 . 1 . . . . . . . . 4688 1 1034 . 1 1 99 99 ALA HA H 1 4.072 0.005 . 1 . . . . . . . . 4688 1 1035 . 1 1 99 99 ALA HB1 H 1 1.496 0.005 . 1 . . . . . . . . 4688 1 1036 . 1 1 99 99 ALA HB2 H 1 1.496 0.005 . 1 . . . . . . . . 4688 1 1037 . 1 1 99 99 ALA HB3 H 1 1.496 0.005 . 1 . . . . . . . . 4688 1 1038 . 1 1 99 99 ALA CA C 13 54.94 0.05 . 1 . . . . . . . . 4688 1 1039 . 1 1 99 99 ALA CB C 13 19.636 0.05 . 1 . . . . . . . . 4688 1 1040 . 1 1 99 99 ALA N N 15 120.741 0.05 . 1 . . . . . . . . 4688 1 1041 . 1 1 100 100 LEU H H 1 8.103 0.005 . 1 . . . . . . . . 4688 1 1042 . 1 1 100 100 LEU HA H 1 4.184 0.005 . 1 . . . . . . . . 4688 1 1043 . 1 1 100 100 LEU HB2 H 1 1.915 0.005 . 2 . . . . . . . . 4688 1 1044 . 1 1 100 100 LEU HB3 H 1 1.756 0.005 . 2 . . . . . . . . 4688 1 1045 . 1 1 100 100 LEU HG H 1 1.693 0.005 . 1 . . . . . . . . 4688 1 1046 . 1 1 100 100 LEU HD11 H 1 0.901 0.005 . 2 . . . . . . . . 4688 1 1047 . 1 1 100 100 LEU HD12 H 1 0.901 0.005 . 2 . . . . . . . . 4688 1 1048 . 1 1 100 100 LEU HD13 H 1 0.901 0.005 . 2 . . . . . . . . 4688 1 1049 . 1 1 100 100 LEU HD21 H 1 0.812 0.005 . 2 . . . . . . . . 4688 1 1050 . 1 1 100 100 LEU HD22 H 1 0.812 0.005 . 2 . . . . . . . . 4688 1 1051 . 1 1 100 100 LEU HD23 H 1 0.812 0.005 . 2 . . . . . . . . 4688 1 1052 . 1 1 100 100 LEU CA C 13 59.494 0.05 . 1 . . . . . . . . 4688 1 1053 . 1 1 100 100 LEU CB C 13 42.331 0.05 . 1 . . . . . . . . 4688 1 1054 . 1 1 100 100 LEU CG C 13 28.282 0.05 . 1 . . . . . . . . 4688 1 1055 . 1 1 100 100 LEU CD1 C 13 28.11 0.05 . 2 . . . . . . . . 4688 1 1056 . 1 1 100 100 LEU CD2 C 13 23.79 0.05 . 2 . . . . . . . . 4688 1 1057 . 1 1 100 100 LEU N N 15 120.345 0.05 . 1 . . . . . . . . 4688 1 1058 . 1 1 101 101 ALA H H 1 7.886 0.005 . 1 . . . . . . . . 4688 1 1059 . 1 1 101 101 ALA HA H 1 3.822 0.005 . 1 . . . . . . . . 4688 1 1060 . 1 1 101 101 ALA HB1 H 1 1.508 0.005 . 1 . . . . . . . . 4688 1 1061 . 1 1 101 101 ALA HB2 H 1 1.508 0.005 . 1 . . . . . . . . 4688 1 1062 . 1 1 101 101 ALA HB3 H 1 1.508 0.005 . 1 . . . . . . . . 4688 1 1063 . 1 1 101 101 ALA CA C 13 55.539 0.05 . 1 . . . . . . . . 4688 1 1064 . 1 1 101 101 ALA CB C 13 18.639 0.05 . 1 . . . . . . . . 4688 1 1065 . 1 1 101 101 ALA N N 15 123.491 0.05 . 1 . . . . . . . . 4688 1 1066 . 1 1 102 102 GLU H H 1 8.622 0.005 . 1 . . . . . . . . 4688 1 1067 . 1 1 102 102 GLU HA H 1 3.993 0.005 . 1 . . . . . . . . 4688 1 1068 . 1 1 102 102 GLU HB2 H 1 2.265 0.005 . 2 . . . . . . . . 4688 1 1069 . 1 1 102 102 GLU HB3 H 1 2.031 0.005 . 2 . . . . . . . . 4688 1 1070 . 1 1 102 102 GLU HG2 H 1 2.665 0.005 . 2 . . . . . . . . 4688 1 1071 . 1 1 102 102 GLU HG3 H 1 2.325 0.005 . 2 . . . . . . . . 4688 1 1072 . 1 1 102 102 GLU CA C 13 59.618 0.05 . 1 . . . . . . . . 4688 1 1073 . 1 1 102 102 GLU CB C 13 29.083 0.05 . 1 . . . . . . . . 4688 1 1074 . 1 1 102 102 GLU CG C 13 36.703 0.05 . 1 . . . . . . . . 4688 1 1075 . 1 1 102 102 GLU N N 15 117.658 0.05 . 1 . . . . . . . . 4688 1 1076 . 1 1 103 103 GLY H H 1 8.769 0.005 . 1 . . . . . . . . 4688 1 1077 . 1 1 103 103 GLY HA2 H 1 4.423 0.005 . 1 . . . . . . . . 4688 1 1078 . 1 1 103 103 GLY HA3 H 1 3.939 0.005 . 1 . . . . . . . . 4688 1 1079 . 1 1 103 103 GLY CA C 13 47.315 0.05 . 1 . . . . . . . . 4688 1 1080 . 1 1 103 103 GLY N N 15 110.218 0.05 . 1 . . . . . . . . 4688 1 1081 . 1 1 104 104 ALA H H 1 8.478 0.005 . 1 . . . . . . . . 4688 1 1082 . 1 1 104 104 ALA HA H 1 4.249 0.005 . 1 . . . . . . . . 4688 1 1083 . 1 1 104 104 ALA HB1 H 1 1.511 0.005 . 1 . . . . . . . . 4688 1 1084 . 1 1 104 104 ALA HB2 H 1 1.511 0.005 . 1 . . . . . . . . 4688 1 1085 . 1 1 104 104 ALA HB3 H 1 1.511 0.005 . 1 . . . . . . . . 4688 1 1086 . 1 1 104 104 ALA CA C 13 54.372 0.05 . 1 . . . . . . . . 4688 1 1087 . 1 1 104 104 ALA CB C 13 17.149 0.05 . 1 . . . . . . . . 4688 1 1088 . 1 1 104 104 ALA N N 15 124.807 0.05 . 1 . . . . . . . . 4688 1 1089 . 1 1 105 105 ARG H H 1 8.272 0.005 . 1 . . . . . . . . 4688 1 1090 . 1 1 105 105 ARG HA H 1 4.63 0.005 . 1 . . . . . . . . 4688 1 1091 . 1 1 105 105 ARG HB2 H 1 1.832 0.005 . 1 . . . . . . . . 4688 1 1092 . 1 1 105 105 ARG HG2 H 1 1.555 0.005 . 2 . . . . . . . . 4688 1 1093 . 1 1 105 105 ARG HG3 H 1 1.28 0.005 . 2 . . . . . . . . 4688 1 1094 . 1 1 105 105 ARG HD2 H 1 3.011 0.005 . 2 . . . . . . . . 4688 1 1095 . 1 1 105 105 ARG HD3 H 1 2.892 0.005 . 2 . . . . . . . . 4688 1 1096 . 1 1 105 105 ARG HE H 1 6.816 0.005 . 1 . . . . . . . . 4688 1 1097 . 1 1 105 105 ARG CA C 13 58.477 0.05 . 1 . . . . . . . . 4688 1 1098 . 1 1 105 105 ARG CB C 13 30.026 0.05 . 1 . . . . . . . . 4688 1 1099 . 1 1 105 105 ARG CG C 13 27.364 0.05 . 1 . . . . . . . . 4688 1 1100 . 1 1 105 105 ARG CD C 13 42.821 0.05 . 1 . . . . . . . . 4688 1 1101 . 1 1 105 105 ARG N N 15 119.386 0.05 . 1 . . . . . . . . 4688 1 1102 . 1 1 105 105 ARG NE N 15 85.905 0.05 . 1 . . . . . . . . 4688 1 1103 . 1 1 106 106 GLU H H 1 8.597 0.005 . 1 . . . . . . . . 4688 1 1104 . 1 1 106 106 GLU HA H 1 4.058 0.005 . 1 . . . . . . . . 4688 1 1105 . 1 1 106 106 GLU HB2 H 1 2.333 0.005 . 2 . . . . . . . . 4688 1 1106 . 1 1 106 106 GLU HB3 H 1 2.198 0.005 . 2 . . . . . . . . 4688 1 1107 . 1 1 106 106 GLU HG2 H 1 2.485 0.005 . 1 . . . . . . . . 4688 1 1108 . 1 1 106 106 GLU CA C 13 59.01 0.05 . 1 . . . . . . . . 4688 1 1109 . 1 1 106 106 GLU CB C 13 29.58 0.05 . 1 . . . . . . . . 4688 1 1110 . 1 1 106 106 GLU CG C 13 36.231 0.05 . 1 . . . . . . . . 4688 1 1111 . 1 1 106 106 GLU N N 15 123.617 0.05 . 1 . . . . . . . . 4688 1 1112 . 1 1 107 107 GLY H H 1 8.09 0.005 . 1 . . . . . . . . 4688 1 1113 . 1 1 107 107 GLY HA2 H 1 4.236 0.005 . 1 . . . . . . . . 4688 1 1114 . 1 1 107 107 GLY HA3 H 1 3.637 0.005 . 1 . . . . . . . . 4688 1 1115 . 1 1 107 107 GLY CA C 13 45.589 0.05 . 1 . . . . . . . . 4688 1 1116 . 1 1 107 107 GLY N N 15 104.648 0.05 . 1 . . . . . . . . 4688 1 1117 . 1 1 108 108 GLY H H 1 7.586 0.005 . 1 . . . . . . . . 4688 1 1118 . 1 1 108 108 GLY HA2 H 1 4.636 0.005 . 1 . . . . . . . . 4688 1 1119 . 1 1 108 108 GLY HA3 H 1 3.705 0.005 . 1 . . . . . . . . 4688 1 1120 . 1 1 108 108 GLY CA C 13 45.075 0.05 . 1 . . . . . . . . 4688 1 1121 . 1 1 108 108 GLY N N 15 106.156 0.05 . 1 . . . . . . . . 4688 1 1122 . 1 1 109 109 LEU H H 1 7.93 0.005 . 1 . . . . . . . . 4688 1 1123 . 1 1 109 109 LEU HA H 1 4.687 0.005 . 1 . . . . . . . . 4688 1 1124 . 1 1 109 109 LEU HB2 H 1 1.655 0.005 . 2 . . . . . . . . 4688 1 1125 . 1 1 109 109 LEU HB3 H 1 1.421 0.005 . 2 . . . . . . . . 4688 1 1126 . 1 1 109 109 LEU HG H 1 1.716 0.005 . 1 . . . . . . . . 4688 1 1127 . 1 1 109 109 LEU HD11 H 1 0.852 0.005 . 2 . . . . . . . . 4688 1 1128 . 1 1 109 109 LEU HD12 H 1 0.852 0.005 . 2 . . . . . . . . 4688 1 1129 . 1 1 109 109 LEU HD13 H 1 0.852 0.005 . 2 . . . . . . . . 4688 1 1130 . 1 1 109 109 LEU HD21 H 1 0.803 0.005 . 2 . . . . . . . . 4688 1 1131 . 1 1 109 109 LEU HD22 H 1 0.803 0.005 . 2 . . . . . . . . 4688 1 1132 . 1 1 109 109 LEU HD23 H 1 0.803 0.005 . 2 . . . . . . . . 4688 1 1133 . 1 1 109 109 LEU CA C 13 55.103 0.05 . 1 . . . . . . . . 4688 1 1134 . 1 1 109 109 LEU CB C 13 43.006 0.05 . 1 . . . . . . . . 4688 1 1135 . 1 1 109 109 LEU CG C 13 28.137 0.05 . 1 . . . . . . . . 4688 1 1136 . 1 1 109 109 LEU CD1 C 13 24.131 0.05 . 2 . . . . . . . . 4688 1 1137 . 1 1 109 109 LEU CD2 C 13 25.32 0.05 . 2 . . . . . . . . 4688 1 1138 . 1 1 109 109 LEU N N 15 121.198 0.05 . 1 . . . . . . . . 4688 1 1139 . 1 1 110 110 GLU H H 1 8.474 0.005 . 1 . . . . . . . . 4688 1 1140 . 1 1 110 110 GLU HA H 1 4.477 0.005 . 1 . . . . . . . . 4688 1 1141 . 1 1 110 110 GLU HB2 H 1 2.095 0.005 . 2 . . . . . . . . 4688 1 1142 . 1 1 110 110 GLU HB3 H 1 1.977 0.005 . 2 . . . . . . . . 4688 1 1143 . 1 1 110 110 GLU HG2 H 1 2.342 0.005 . 2 . . . . . . . . 4688 1 1144 . 1 1 110 110 GLU HG3 H 1 2.214 0.005 . 2 . . . . . . . . 4688 1 1145 . 1 1 110 110 GLU CA C 13 55.822 0.05 . 1 . . . . . . . . 4688 1 1146 . 1 1 110 110 GLU CB C 13 32.066 0.05 . 1 . . . . . . . . 4688 1 1147 . 1 1 110 110 GLU CG C 13 36.167 0.05 . 1 . . . . . . . . 4688 1 1148 . 1 1 110 110 GLU N N 15 122.593 0.05 . 1 . . . . . . . . 4688 1 1149 . 1 1 111 111 PHE H H 1 7.225 0.005 . 1 . . . . . . . . 4688 1 1150 . 1 1 111 111 PHE HA H 1 4.911 0.005 . 1 . . . . . . . . 4688 1 1151 . 1 1 111 111 PHE HB2 H 1 3.637 0.005 . 2 . . . . . . . . 4688 1 1152 . 1 1 111 111 PHE HB3 H 1 3.161 0.005 . 2 . . . . . . . . 4688 1 1153 . 1 1 111 111 PHE HD1 H 1 6.951 0.005 . 1 . . . . . . . . 4688 1 1154 . 1 1 111 111 PHE HE1 H 1 6.833 0.005 . 1 . . . . . . . . 4688 1 1155 . 1 1 111 111 PHE HZ H 1 7.356 0.005 . 1 . . . . . . . . 4688 1 1156 . 1 1 111 111 PHE CA C 13 57.914 0.05 . 1 . . . . . . . . 4688 1 1157 . 1 1 111 111 PHE CB C 13 39.028 0.05 . 1 . . . . . . . . 4688 1 1158 . 1 1 111 111 PHE N N 15 125.129 0.05 . 1 . . . . . . . . 4688 1 stop_ save_