################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7126 _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_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 HNCACB 1 $sample_1 isotropic 7126 1 2 CBCA(CO)NH 1 $sample_1 isotropic 7126 1 3 (H)CC(CO)TOCSY 1 $sample_1 isotropic 7126 1 4 H(CC)(CO)NH-TOCSY 1 $sample_1 isotropic 7126 1 9 '15N HSQC' 1 $sample_1 isotropic 7126 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 7126 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HB1 H 1 1.52 0.02 . 1 . . . . 1 ALA QB . 7126 1 2 . 1 1 1 1 ALA HB2 H 1 1.52 0.02 . 1 . . . . 1 ALA QB . 7126 1 3 . 1 1 1 1 ALA HB3 H 1 1.52 0.02 . 1 . . . . 1 ALA QB . 7126 1 4 . 1 1 1 1 ALA CB C 13 18.68 0.20 . 1 . . . . 1 ALA CB . 7126 1 5 . 1 1 2 2 GLN CA C 13 56.38 0.20 . 1 . . . . 2 GLN CA . 7126 1 6 . 1 1 3 3 VAL H H 1 8.28 0.02 . 1 . . . . 3 VAL HN . 7126 1 7 . 1 1 3 3 VAL HG11 H 1 0.79 0.02 . 1 . . . . 3 VAL QG1 . 7126 1 8 . 1 1 3 3 VAL HG12 H 1 0.79 0.02 . 1 . . . . 3 VAL QG1 . 7126 1 9 . 1 1 3 3 VAL HG13 H 1 0.79 0.02 . 1 . . . . 3 VAL QG1 . 7126 1 10 . 1 1 3 3 VAL HG21 H 1 0.86 0.02 . 1 . . . . 3 VAL QG2 . 7126 1 11 . 1 1 3 3 VAL HG22 H 1 0.86 0.02 . 1 . . . . 3 VAL QG2 . 7126 1 12 . 1 1 3 3 VAL HG23 H 1 0.86 0.02 . 1 . . . . 3 VAL QG2 . 7126 1 13 . 1 1 3 3 VAL CA C 13 61.59 0.20 . 1 . . . . 3 VAL CA . 7126 1 14 . 1 1 3 3 VAL CB C 13 32.41 0.20 . 1 . . . . 3 VAL CB . 7126 1 15 . 1 1 3 3 VAL CG1 C 13 19.99 0.20 . 1 . . . . 3 VAL CG1 . 7126 1 16 . 1 1 3 3 VAL CG2 C 13 19.54 0.20 . 1 . . . . 3 VAL CG2 . 7126 1 17 . 1 1 3 3 VAL N N 15 126.93 0.20 . 1 . . . . 3 VAL N . 7126 1 18 . 1 1 4 4 ILE H H 1 7.80 0.02 . 1 . . . . 4 ILE HN . 7126 1 19 . 1 1 4 4 ILE HG21 H 1 0.83 0.02 . 1 . . . . 4 ILE QG2 . 7126 1 20 . 1 1 4 4 ILE HG22 H 1 0.83 0.02 . 1 . . . . 4 ILE QG2 . 7126 1 21 . 1 1 4 4 ILE HG23 H 1 0.83 0.02 . 1 . . . . 4 ILE QG2 . 7126 1 22 . 1 1 4 4 ILE HD11 H 1 0.86 0.02 . 1 . . . . 4 ILE QD1 . 7126 1 23 . 1 1 4 4 ILE HD12 H 1 0.86 0.02 . 1 . . . . 4 ILE QD1 . 7126 1 24 . 1 1 4 4 ILE HD13 H 1 0.86 0.02 . 1 . . . . 4 ILE QD1 . 7126 1 25 . 1 1 4 4 ILE CA C 13 59.95 0.20 . 1 . . . . 4 ILE CA . 7126 1 26 . 1 1 4 4 ILE CB C 13 36.84 0.20 . 1 . . . . 4 ILE CB . 7126 1 27 . 1 1 4 4 ILE CG2 C 13 16.15 0.20 . 1 . . . . 4 ILE CG2 . 7126 1 28 . 1 1 4 4 ILE CD1 C 13 12.68 0.20 . 1 . . . . 4 ILE CD1 . 7126 1 29 . 1 1 4 4 ILE N N 15 130.84 0.20 . 1 . . . . 4 ILE N . 7126 1 30 . 1 1 5 5 ASN H H 1 8.00 0.02 . 1 . . . . 5 ASN HN . 7126 1 31 . 1 1 5 5 ASN CA C 13 51.86 0.20 . 1 . . . . 5 ASN CA . 7126 1 32 . 1 1 5 5 ASN CB C 13 37.54 0.20 . 1 . . . . 5 ASN CB . 7126 1 33 . 1 1 5 5 ASN N N 15 128.04 0.20 . 1 . . . . 5 ASN N . 7126 1 34 . 1 1 6 6 THR H H 1 7.13 0.02 . 1 . . . . 6 THR HN . 7126 1 35 . 1 1 6 6 THR HG21 H 1 1.44 0.02 . 1 . . . . 6 THR QG2 . 7126 1 36 . 1 1 6 6 THR HG22 H 1 1.44 0.02 . 1 . . . . 6 THR QG2 . 7126 1 37 . 1 1 6 6 THR HG23 H 1 1.44 0.02 . 1 . . . . 6 THR QG2 . 7126 1 38 . 1 1 6 6 THR CA C 13 58.09 0.20 . 1 . . . . 6 THR CA . 7126 1 39 . 1 1 6 6 THR CB C 13 71.16 0.20 . 1 . . . . 6 THR CB . 7126 1 40 . 1 1 6 6 THR CG2 C 13 21.16 0.20 . 1 . . . . 6 THR CG2 . 7126 1 41 . 1 1 6 6 THR N N 15 111.72 0.20 . 1 . . . . 6 THR N . 7126 1 42 . 1 1 7 7 PHE H H 1 8.89 0.02 . 1 . . . . 7 PHE HN . 7126 1 43 . 1 1 7 7 PHE CA C 13 63.46 0.20 . 1 . . . . 7 PHE CA . 7126 1 44 . 1 1 7 7 PHE CB C 13 38.40 0.20 . 1 . . . . 7 PHE CB . 7126 1 45 . 1 1 7 7 PHE N N 15 124.32 0.20 . 1 . . . . 7 PHE N . 7126 1 46 . 1 1 8 8 ASP H H 1 8.62 0.02 . 1 . . . . 8 ASP HN . 7126 1 47 . 1 1 8 8 ASP CA C 13 56.61 0.20 . 1 . . . . 8 ASP CA . 7126 1 48 . 1 1 8 8 ASP CB C 13 40.19 0.20 . 1 . . . . 8 ASP CB . 7126 1 49 . 1 1 8 8 ASP N N 15 117.90 0.20 . 1 . . . . 8 ASP N . 7126 1 50 . 1 1 9 9 GLY H H 1 7.86 0.02 . 1 . . . . 9 GLY HN . 7126 1 51 . 1 1 9 9 GLY CA C 13 46.10 0.20 . 1 . . . . 9 GLY CA . 7126 1 52 . 1 1 9 9 GLY N N 15 110.56 0.20 . 1 . . . . 9 GLY N . 7126 1 53 . 1 1 10 10 VAL H H 1 8.94 0.02 . 1 . . . . 10 VAL HN . 7126 1 54 . 1 1 10 10 VAL HG11 H 1 0.77 0.02 . 1 . . . . 10 VAL QG1 . 7126 1 55 . 1 1 10 10 VAL HG12 H 1 0.77 0.02 . 1 . . . . 10 VAL QG1 . 7126 1 56 . 1 1 10 10 VAL HG13 H 1 0.77 0.02 . 1 . . . . 10 VAL QG1 . 7126 1 57 . 1 1 10 10 VAL HG21 H 1 1.19 0.02 . 1 . . . . 10 VAL QG2 . 7126 1 58 . 1 1 10 10 VAL HG22 H 1 1.19 0.02 . 1 . . . . 10 VAL QG2 . 7126 1 59 . 1 1 10 10 VAL HG23 H 1 1.19 0.02 . 1 . . . . 10 VAL QG2 . 7126 1 60 . 1 1 10 10 VAL CA C 13 66.65 0.20 . 1 . . . . 10 VAL CA . 7126 1 61 . 1 1 10 10 VAL CB C 13 30.15 0.20 . 1 . . . . 10 VAL CB . 7126 1 62 . 1 1 10 10 VAL CG1 C 13 21.39 0.20 . 1 . . . . 10 VAL CG1 . 7126 1 63 . 1 1 10 10 VAL CG2 C 13 24.09 0.20 . 1 . . . . 10 VAL CG2 . 7126 1 64 . 1 1 10 10 VAL N N 15 127.27 0.20 . 1 . . . . 10 VAL N . 7126 1 65 . 1 1 11 11 ALA H H 1 8.30 0.02 . 1 . . . . 11 ALA HN . 7126 1 66 . 1 1 11 11 ALA HB1 H 1 1.58 0.02 . 1 . . . . 11 ALA QB . 7126 1 67 . 1 1 11 11 ALA HB2 H 1 1.58 0.02 . 1 . . . . 11 ALA QB . 7126 1 68 . 1 1 11 11 ALA HB3 H 1 1.58 0.02 . 1 . . . . 11 ALA QB . 7126 1 69 . 1 1 11 11 ALA CA C 13 55.24 0.20 . 1 . . . . 11 ALA CA . 7126 1 70 . 1 1 11 11 ALA CB C 13 17.31 0.20 . 1 . . . . 11 ALA CB . 7126 1 71 . 1 1 11 11 ALA N N 15 125.72 0.20 . 1 . . . . 11 ALA N . 7126 1 72 . 1 1 12 12 ASP H H 1 8.10 0.02 . 1 . . . . 12 ASP HN . 7126 1 73 . 1 1 12 12 ASP CA C 13 56.38 0.20 . 1 . . . . 12 ASP CA . 7126 1 74 . 1 1 12 12 ASP CB C 13 39.41 0.20 . 1 . . . . 12 ASP CB . 7126 1 75 . 1 1 12 12 ASP N N 15 119.97 0.20 . 1 . . . . 12 ASP N . 7126 1 76 . 1 1 13 13 TYR H H 1 7.99 0.02 . 1 . . . . 13 TYR HN . 7126 1 77 . 1 1 13 13 TYR CA C 13 61.67 0.20 . 1 . . . . 13 TYR CA . 7126 1 78 . 1 1 13 13 TYR CB C 13 38.79 0.20 . 1 . . . . 13 TYR CB . 7126 1 79 . 1 1 13 13 TYR N N 15 128.47 0.20 . 1 . . . . 13 TYR N . 7126 1 80 . 1 1 14 14 LEU H H 1 9.13 0.02 . 1 . . . . 14 LEU HN . 7126 1 81 . 1 1 14 14 LEU HD11 H 1 0.47 0.02 . 1 . . . . 14 LEU QD1 . 7126 1 82 . 1 1 14 14 LEU HD12 H 1 0.47 0.02 . 1 . . . . 14 LEU QD1 . 7126 1 83 . 1 1 14 14 LEU HD13 H 1 0.47 0.02 . 1 . . . . 14 LEU QD1 . 7126 1 84 . 1 1 14 14 LEU HD21 H 1 0.18 0.02 . 1 . . . . 14 LEU QD2 . 7126 1 85 . 1 1 14 14 LEU HD22 H 1 0.18 0.02 . 1 . . . . 14 LEU QD2 . 7126 1 86 . 1 1 14 14 LEU HD23 H 1 0.18 0.02 . 1 . . . . 14 LEU QD2 . 7126 1 87 . 1 1 14 14 LEU CA C 13 57.54 0.20 . 1 . . . . 14 LEU CA . 7126 1 88 . 1 1 14 14 LEU CB C 13 42.13 0.20 . 1 . . . . 14 LEU CB . 7126 1 89 . 1 1 14 14 LEU CD1 C 13 25.55 0.20 . 1 . . . . 14 LEU CD1 . 7126 1 90 . 1 1 14 14 LEU CD2 C 13 20.42 0.20 . 1 . . . . 14 LEU CD2 . 7126 1 91 . 1 1 14 14 LEU N N 15 124.08 0.20 . 1 . . . . 14 LEU N . 7126 1 92 . 1 1 15 15 GLN H H 1 8.00 0.02 . 1 . . . . 15 GLN HN . 7126 1 93 . 1 1 15 15 GLN CA C 13 58.40 0.20 . 1 . . . . 15 GLN CA . 7126 1 94 . 1 1 15 15 GLN CB C 13 28.52 0.20 . 1 . . . . 15 GLN CB . 7126 1 95 . 1 1 15 15 GLN N N 15 119.30 0.20 . 1 . . . . 15 GLN N . 7126 1 96 . 1 1 16 16 THR H H 1 7.56 0.02 . 1 . . . . 16 THR HN . 7126 1 97 . 1 1 16 16 THR HG21 H 1 0.16 0.02 . 1 . . . . 16 THR QG2 . 7126 1 98 . 1 1 16 16 THR HG22 H 1 0.16 0.02 . 1 . . . . 16 THR QG2 . 7126 1 99 . 1 1 16 16 THR HG23 H 1 0.16 0.02 . 1 . . . . 16 THR QG2 . 7126 1 100 . 1 1 16 16 THR CA C 13 64.62 0.20 . 1 . . . . 16 THR CA . 7126 1 101 . 1 1 16 16 THR CB C 13 68.52 0.20 . 1 . . . . 16 THR CB . 7126 1 102 . 1 1 16 16 THR CG2 C 13 18.97 0.20 . 1 . . . . 16 THR CG2 . 7126 1 103 . 1 1 16 16 THR N N 15 117.70 0.20 . 1 . . . . 16 THR N . 7126 1 104 . 1 1 17 17 TYR H H 1 8.42 0.02 . 1 . . . . 17 TYR HN . 7126 1 105 . 1 1 17 17 TYR CA C 13 57.78 0.20 . 1 . . . . 17 TYR CA . 7126 1 106 . 1 1 17 17 TYR CB C 13 37.85 0.20 . 1 . . . . 17 TYR CB . 7126 1 107 . 1 1 17 17 TYR N N 15 120.59 0.20 . 1 . . . . 17 TYR N . 7126 1 108 . 1 1 18 18 HIS H H 1 8.00 0.02 . 1 . . . . 18 HIS HN . 7126 1 109 . 1 1 18 18 HIS CA C 13 53.89 0.20 . 1 . . . . 18 HIS CA . 7126 1 110 . 1 1 18 18 HIS CB C 13 24.24 0.20 . 1 . . . . 18 HIS CB . 7126 1 111 . 1 1 18 18 HIS N N 15 118.94 0.20 . 1 . . . . 18 HIS N . 7126 1 112 . 1 1 19 19 LYS H H 1 7.40 0.02 . 1 . . . . 19 LYS HN . 7126 1 113 . 1 1 19 19 LYS CA C 13 53.65 0.20 . 1 . . . . 19 LYS CA . 7126 1 114 . 1 1 19 19 LYS CB C 13 32.80 0.20 . 1 . . . . 19 LYS CB . 7126 1 115 . 1 1 19 19 LYS N N 15 114.81 0.20 . 1 . . . . 19 LYS N . 7126 1 116 . 1 1 20 20 LEU H H 1 8.39 0.02 . 1 . . . . 20 LEU HN . 7126 1 117 . 1 1 20 20 LEU HD11 H 1 0.65 0.02 . 1 . . . . 20 LEU QD1 . 7126 1 118 . 1 1 20 20 LEU HD12 H 1 0.65 0.02 . 1 . . . . 20 LEU QD1 . 7126 1 119 . 1 1 20 20 LEU HD13 H 1 0.65 0.02 . 1 . . . . 20 LEU QD1 . 7126 1 120 . 1 1 20 20 LEU HD21 H 1 0.14 0.02 . 1 . . . . 20 LEU QD2 . 7126 1 121 . 1 1 20 20 LEU HD22 H 1 0.14 0.02 . 1 . . . . 20 LEU QD2 . 7126 1 122 . 1 1 20 20 LEU HD23 H 1 0.14 0.02 . 1 . . . . 20 LEU QD2 . 7126 1 123 . 1 1 20 20 LEU CA C 13 52.64 0.20 . 1 . . . . 20 LEU CA . 7126 1 124 . 1 1 20 20 LEU CB C 13 40.19 0.20 . 1 . . . . 20 LEU CB . 7126 1 125 . 1 1 20 20 LEU CD1 C 13 25.13 0.20 . 1 . . . . 20 LEU CD1 . 7126 1 126 . 1 1 20 20 LEU CD2 C 13 21.45 0.20 . 1 . . . . 20 LEU CD2 . 7126 1 127 . 1 1 20 20 LEU N N 15 121.98 0.20 . 1 . . . . 20 LEU N . 7126 1 128 . 1 1 21 21 PRO CA C 13 62.06 0.20 . 1 . . . . 21 PRO CA . 7126 1 129 . 1 1 21 21 PRO CB C 13 30.77 0.20 . 1 . . . . 21 PRO CB . 7126 1 130 . 1 1 22 22 ASP H H 1 8.51 0.02 . 1 . . . . 22 ASP HN . 7126 1 131 . 1 1 22 22 ASP CA C 13 55.52 0.20 . 1 . . . . 22 ASP CA . 7126 1 132 . 1 1 22 22 ASP CB C 13 39.41 0.20 . 1 . . . . 22 ASP CB . 7126 1 133 . 1 1 22 22 ASP N N 15 122.52 0.20 . 1 . . . . 22 ASP N . 7126 1 134 . 1 1 23 23 ASN H H 1 8.29 0.02 . 1 . . . . 23 ASN HN . 7126 1 135 . 1 1 23 23 ASN CA C 13 52.87 0.20 . 1 . . . . 23 ASN CA . 7126 1 136 . 1 1 23 23 ASN CB C 13 35.75 0.20 . 1 . . . . 23 ASN CB . 7126 1 137 . 1 1 23 23 ASN N N 15 116.16 0.20 . 1 . . . . 23 ASN N . 7126 1 138 . 1 1 24 24 TYR H H 1 7.28 0.02 . 1 . . . . 24 TYR HN . 7126 1 139 . 1 1 24 24 TYR CA C 13 58.32 0.20 . 1 . . . . 24 TYR CA . 7126 1 140 . 1 1 24 24 TYR CB C 13 41.23 0.20 . 1 . . . . 24 TYR CB . 7126 1 141 . 1 1 24 24 TYR N N 15 123.36 0.20 . 1 . . . . 24 TYR N . 7126 1 142 . 1 1 25 25 ILE H H 1 8.96 0.02 . 1 . . . . 25 ILE HN . 7126 1 143 . 1 1 25 25 ILE HG21 H 1 0.89 0.02 . 1 . . . . 25 ILE QG2 . 7126 1 144 . 1 1 25 25 ILE HG22 H 1 0.89 0.02 . 1 . . . . 25 ILE QG2 . 7126 1 145 . 1 1 25 25 ILE HG23 H 1 0.89 0.02 . 1 . . . . 25 ILE QG2 . 7126 1 146 . 1 1 25 25 ILE HD11 H 1 0.51 0.02 . 1 . . . . 25 ILE QD1 . 7126 1 147 . 1 1 25 25 ILE HD12 H 1 0.51 0.02 . 1 . . . . 25 ILE QD1 . 7126 1 148 . 1 1 25 25 ILE HD13 H 1 0.51 0.02 . 1 . . . . 25 ILE QD1 . 7126 1 149 . 1 1 25 25 ILE CA C 13 58.94 0.20 . 1 . . . . 25 ILE CA . 7126 1 150 . 1 1 25 25 ILE CB C 13 41.20 0.20 . 1 . . . . 25 ILE CB . 7126 1 151 . 1 1 25 25 ILE CG2 C 13 16.59 0.20 . 1 . . . . 25 ILE CG2 . 7126 1 152 . 1 1 25 25 ILE CD1 C 13 13.06 0.20 . 1 . . . . 25 ILE CD1 . 7126 1 153 . 1 1 25 25 ILE N N 15 122.92 0.20 . 1 . . . . 25 ILE N . 7126 1 154 . 1 1 26 26 THR H H 1 8.40 0.02 . 1 . . . . 26 THR HN . 7126 1 155 . 1 1 26 26 THR HG21 H 1 1.35 0.02 . 1 . . . . 26 THR QG2 . 7126 1 156 . 1 1 26 26 THR HG22 H 1 1.35 0.02 . 1 . . . . 26 THR QG2 . 7126 1 157 . 1 1 26 26 THR HG23 H 1 1.35 0.02 . 1 . . . . 26 THR QG2 . 7126 1 158 . 1 1 26 26 THR CA C 13 60.97 0.20 . 1 . . . . 26 THR CA . 7126 1 159 . 1 1 26 26 THR CB C 13 70.23 0.20 . 1 . . . . 26 THR CB . 7126 1 160 . 1 1 26 26 THR CG2 C 13 20.95 0.20 . 1 . . . . 26 THR CG2 . 7126 1 161 . 1 1 26 26 THR N N 15 117.51 0.20 . 1 . . . . 26 THR N . 7126 1 162 . 1 1 27 27 LYS H H 1 9.93 0.02 . 1 . . . . 27 LYS HN . 7126 1 163 . 1 1 27 27 LYS CA C 13 60.27 0.20 . 1 . . . . 27 LYS CA . 7126 1 164 . 1 1 27 27 LYS CB C 13 32.64 0.20 . 1 . . . . 27 LYS CB . 7126 1 165 . 1 1 27 27 LYS N N 15 124.42 0.20 . 1 . . . . 27 LYS N . 7126 1 166 . 1 1 28 28 SER H H 1 9.32 0.02 . 1 . . . . 28 SER HN . 7126 1 167 . 1 1 28 28 SER CA C 13 60.66 0.20 . 1 . . . . 28 SER CA . 7126 1 168 . 1 1 28 28 SER CB C 13 61.90 0.20 . 1 . . . . 28 SER CB . 7126 1 169 . 1 1 28 28 SER N N 15 117.70 0.20 . 1 . . . . 28 SER N . 7126 1 170 . 1 1 29 29 GLU H H 1 7.63 0.02 . 1 . . . . 29 GLU HN . 7126 1 171 . 1 1 29 29 GLU CA C 13 58.24 0.20 . 1 . . . . 29 GLU CA . 7126 1 172 . 1 1 29 29 GLU CB C 13 29.22 0.20 . 1 . . . . 29 GLU CB . 7126 1 173 . 1 1 29 29 GLU N N 15 128.33 0.20 . 1 . . . . 29 GLU N . 7126 1 174 . 1 1 30 30 ALA H H 1 8.80 0.02 . 1 . . . . 30 ALA HN . 7126 1 175 . 1 1 30 30 ALA HB1 H 1 1.19 0.02 . 1 . . . . 30 ALA QB . 7126 1 176 . 1 1 30 30 ALA HB2 H 1 1.19 0.02 . 1 . . . . 30 ALA QB . 7126 1 177 . 1 1 30 30 ALA HB3 H 1 1.19 0.02 . 1 . . . . 30 ALA QB . 7126 1 178 . 1 1 30 30 ALA CA C 13 54.51 0.20 . 1 . . . . 30 ALA CA . 7126 1 179 . 1 1 30 30 ALA CB C 13 17.16 0.20 . 1 . . . . 30 ALA CB . 7126 1 180 . 1 1 30 30 ALA N N 15 126.06 0.20 . 1 . . . . 30 ALA N . 7126 1 181 . 1 1 31 31 GLN H H 1 9.19 0.02 . 1 . . . . 31 GLN HN . 7126 1 182 . 1 1 31 31 GLN CA C 13 59.18 0.20 . 1 . . . . 31 GLN CA . 7126 1 183 . 1 1 31 31 GLN CB C 13 27.82 0.20 . 1 . . . . 31 GLN CB . 7126 1 184 . 1 1 31 31 GLN N N 15 124.76 0.20 . 1 . . . . 31 GLN N . 7126 1 185 . 1 1 32 32 ALA H H 1 7.89 0.02 . 1 . . . . 32 ALA HN . 7126 1 186 . 1 1 32 32 ALA HB1 H 1 1.66 0.02 . 1 . . . . 32 ALA QB . 7126 1 187 . 1 1 32 32 ALA HB2 H 1 1.66 0.02 . 1 . . . . 32 ALA QB . 7126 1 188 . 1 1 32 32 ALA HB3 H 1 1.66 0.02 . 1 . . . . 32 ALA QB . 7126 1 189 . 1 1 32 32 ALA CA C 13 54.12 0.20 . 1 . . . . 32 ALA CA . 7126 1 190 . 1 1 32 32 ALA CB C 13 17.08 0.20 . 1 . . . . 32 ALA CB . 7126 1 191 . 1 1 32 32 ALA N N 15 127.03 0.20 . 1 . . . . 32 ALA N . 7126 1 192 . 1 1 33 33 LEU H H 1 7.34 0.02 . 1 . . . . 33 LEU HN . 7126 1 193 . 1 1 33 33 LEU HD11 H 1 0.88 0.02 . 1 . . . . 33 LEU QD1 . 7126 1 194 . 1 1 33 33 LEU HD12 H 1 0.88 0.02 . 1 . . . . 33 LEU QD1 . 7126 1 195 . 1 1 33 33 LEU HD13 H 1 0.88 0.02 . 1 . . . . 33 LEU QD1 . 7126 1 196 . 1 1 33 33 LEU HD21 H 1 0.96 0.02 . 1 . . . . 33 LEU QD2 . 7126 1 197 . 1 1 33 33 LEU HD22 H 1 0.96 0.02 . 1 . . . . 33 LEU QD2 . 7126 1 198 . 1 1 33 33 LEU HD23 H 1 0.96 0.02 . 1 . . . . 33 LEU QD2 . 7126 1 199 . 1 1 33 33 LEU CA C 13 54.35 0.20 . 1 . . . . 33 LEU CA . 7126 1 200 . 1 1 33 33 LEU CB C 13 41.36 0.20 . 1 . . . . 33 LEU CB . 7126 1 201 . 1 1 33 33 LEU CD1 C 13 24.94 0.20 . 1 . . . . 33 LEU CD1 . 7126 1 202 . 1 1 33 33 LEU CD2 C 13 21.51 0.20 . 1 . . . . 33 LEU CD2 . 7126 1 203 . 1 1 33 33 LEU N N 15 120.64 0.20 . 1 . . . . 33 LEU N . 7126 1 204 . 1 1 34 34 GLY H H 1 7.79 0.02 . 1 . . . . 34 GLY HN . 7126 1 205 . 1 1 34 34 GLY CA C 13 43.46 0.20 . 1 . . . . 34 GLY CA . 7126 1 206 . 1 1 34 34 GLY N N 15 108.05 0.20 . 1 . . . . 34 GLY N . 7126 1 207 . 1 1 35 35 TRP H H 1 8.28 0.02 . 1 . . . . 35 TRP HN . 7126 1 208 . 1 1 35 35 TRP CA C 13 56.22 0.20 . 1 . . . . 35 TRP CA . 7126 1 209 . 1 1 35 35 TRP CB C 13 28.36 0.20 . 1 . . . . 35 TRP CB . 7126 1 210 . 1 1 35 35 TRP N N 15 127.01 0.20 . 1 . . . . 35 TRP N . 7126 1 211 . 1 1 36 36 VAL H H 1 8.96 0.02 . 1 . . . . 36 VAL HN . 7126 1 212 . 1 1 36 36 VAL HG11 H 1 0.84 0.02 . 1 . . . . 36 VAL QG1 . 7126 1 213 . 1 1 36 36 VAL HG12 H 1 0.84 0.02 . 1 . . . . 36 VAL QG1 . 7126 1 214 . 1 1 36 36 VAL HG13 H 1 0.84 0.02 . 1 . . . . 36 VAL QG1 . 7126 1 215 . 1 1 36 36 VAL HG21 H 1 0.86 0.02 . 1 . . . . 36 VAL QG2 . 7126 1 216 . 1 1 36 36 VAL HG22 H 1 0.86 0.02 . 1 . . . . 36 VAL QG2 . 7126 1 217 . 1 1 36 36 VAL HG23 H 1 0.86 0.02 . 1 . . . . 36 VAL QG2 . 7126 1 218 . 1 1 36 36 VAL CA C 13 60.42 0.20 . 1 . . . . 36 VAL CA . 7126 1 219 . 1 1 36 36 VAL CB C 13 32.25 0.20 . 1 . . . . 36 VAL CB . 7126 1 220 . 1 1 36 36 VAL CG1 C 13 20.51 0.20 . 1 . . . . 36 VAL CG1 . 7126 1 221 . 1 1 36 36 VAL CG2 C 13 19.54 0.20 . 1 . . . . 36 VAL CG2 . 7126 1 222 . 1 1 36 36 VAL N N 15 137.31 0.20 . 1 . . . . 36 VAL N . 7126 1 223 . 1 1 37 37 ALA H H 1 8.06 0.02 . 1 . . . . 37 ALA HN . 7126 1 224 . 1 1 37 37 ALA HB1 H 1 0.71 0.02 . 1 . . . . 37 ALA QB . 7126 1 225 . 1 1 37 37 ALA HB2 H 1 0.71 0.02 . 1 . . . . 37 ALA QB . 7126 1 226 . 1 1 37 37 ALA HB3 H 1 0.71 0.02 . 1 . . . . 37 ALA QB . 7126 1 227 . 1 1 37 37 ALA CA C 13 54.59 0.20 . 1 . . . . 37 ALA CA . 7126 1 228 . 1 1 37 37 ALA CB C 13 16.92 0.20 . 1 . . . . 37 ALA CB . 7126 1 229 . 1 1 37 37 ALA N N 15 134.41 0.20 . 1 . . . . 37 ALA N . 7126 1 230 . 1 1 38 38 SER H H 1 8.49 0.02 . 1 . . . . 38 SER HN . 7126 1 231 . 1 1 38 38 SER CA C 13 59.88 0.20 . 1 . . . . 38 SER CA . 7126 1 232 . 1 1 38 38 SER N N 15 116.98 0.20 . 1 . . . . 38 SER N . 7126 1 233 . 1 1 39 39 LYS H H 1 7.63 0.02 . 1 . . . . 39 LYS HN . 7126 1 234 . 1 1 39 39 LYS CA C 13 55.05 0.20 . 1 . . . . 39 LYS CA . 7126 1 235 . 1 1 39 39 LYS CB C 13 32.17 0.20 . 1 . . . . 39 LYS CB . 7126 1 236 . 1 1 39 39 LYS N N 15 123.16 0.20 . 1 . . . . 39 LYS N . 7126 1 237 . 1 1 40 40 GLY H H 1 7.67 0.02 . 1 . . . . 40 GLY HN . 7126 1 238 . 1 1 40 40 GLY CA C 13 46.18 0.20 . 1 . . . . 40 GLY CA . 7126 1 239 . 1 1 40 40 GLY N N 15 111.56 0.20 . 1 . . . . 40 GLY N . 7126 1 240 . 1 1 41 41 ASN H H 1 7.19 0.02 . 1 . . . . 41 ASN HN . 7126 1 241 . 1 1 41 41 ASN CA C 13 52.64 0.20 . 1 . . . . 41 ASN CA . 7126 1 242 . 1 1 41 41 ASN CB C 13 38.56 0.20 . 1 . . . . 41 ASN CB . 7126 1 243 . 1 1 41 41 ASN N N 15 118.24 0.20 . 1 . . . . 41 ASN N . 7126 1 244 . 1 1 42 42 LEU H H 1 7.93 0.02 . 1 . . . . 42 LEU HN . 7126 1 245 . 1 1 42 42 LEU HD11 H 1 0.17 0.02 . 1 . . . . 42 LEU QD1 . 7126 1 246 . 1 1 42 42 LEU HD12 H 1 0.17 0.02 . 1 . . . . 42 LEU QD1 . 7126 1 247 . 1 1 42 42 LEU HD13 H 1 0.17 0.02 . 1 . . . . 42 LEU QD1 . 7126 1 248 . 1 1 42 42 LEU HD21 H 1 0.21 0.02 . 1 . . . . 42 LEU QD2 . 7126 1 249 . 1 1 42 42 LEU HD22 H 1 0.21 0.02 . 1 . . . . 42 LEU QD2 . 7126 1 250 . 1 1 42 42 LEU HD23 H 1 0.21 0.02 . 1 . . . . 42 LEU QD2 . 7126 1 251 . 1 1 42 42 LEU CA C 13 58.32 0.20 . 1 . . . . 42 LEU CA . 7126 1 252 . 1 1 42 42 LEU CB C 13 39.26 0.20 . 1 . . . . 42 LEU CB . 7126 1 253 . 1 1 42 42 LEU CD1 C 13 25.64 0.20 . 1 . . . . 42 LEU CD1 . 7126 1 254 . 1 1 42 42 LEU CD2 C 13 21.59 0.20 . 1 . . . . 42 LEU CD2 . 7126 1 255 . 1 1 42 42 LEU N N 15 125.87 0.20 . 1 . . . . 42 LEU N . 7126 1 256 . 1 1 43 43 ALA H H 1 8.20 0.02 . 1 . . . . 43 ALA HN . 7126 1 257 . 1 1 43 43 ALA HB1 H 1 1.65 0.02 . 1 . . . . 43 ALA QB . 7126 1 258 . 1 1 43 43 ALA HB2 H 1 1.65 0.02 . 1 . . . . 43 ALA QB . 7126 1 259 . 1 1 43 43 ALA HB3 H 1 1.65 0.02 . 1 . . . . 43 ALA QB . 7126 1 260 . 1 1 43 43 ALA CA C 13 52.87 0.20 . 1 . . . . 43 ALA CA . 7126 1 261 . 1 1 43 43 ALA CB C 13 17.39 0.20 . 1 . . . . 43 ALA CB . 7126 1 262 . 1 1 43 43 ALA N N 15 120.17 0.20 . 1 . . . . 43 ALA N . 7126 1 263 . 1 1 44 44 ASP H H 1 7.24 0.02 . 1 . . . . 44 ASP HN . 7126 1 264 . 1 1 44 44 ASP CA C 13 55.36 0.20 . 1 . . . . 44 ASP CA . 7126 1 265 . 1 1 44 44 ASP CB C 13 40.73 0.20 . 1 . . . . 44 ASP CB . 7126 1 266 . 1 1 44 44 ASP N N 15 118.67 0.20 . 1 . . . . 44 ASP N . 7126 1 267 . 1 1 45 45 VAL H H 1 7.18 0.02 . 1 . . . . 45 VAL HN . 7126 1 268 . 1 1 45 45 VAL HG11 H 1 0.80 0.02 . 1 . . . . 45 VAL QG1 . 7126 1 269 . 1 1 45 45 VAL HG12 H 1 0.80 0.02 . 1 . . . . 45 VAL QG1 . 7126 1 270 . 1 1 45 45 VAL HG13 H 1 0.80 0.02 . 1 . . . . 45 VAL QG1 . 7126 1 271 . 1 1 45 45 VAL HG21 H 1 0.93 0.02 . 1 . . . . 45 VAL QG2 . 7126 1 272 . 1 1 45 45 VAL HG22 H 1 0.93 0.02 . 1 . . . . 45 VAL QG2 . 7126 1 273 . 1 1 45 45 VAL HG23 H 1 0.93 0.02 . 1 . . . . 45 VAL QG2 . 7126 1 274 . 1 1 45 45 VAL CA C 13 60.73 0.20 . 1 . . . . 45 VAL CA . 7126 1 275 . 1 1 45 45 VAL CB C 13 30.85 0.20 . 1 . . . . 45 VAL CB . 7126 1 276 . 1 1 45 45 VAL CG1 C 13 16.52 0.20 . 1 . . . . 45 VAL CG1 . 7126 1 277 . 1 1 45 45 VAL CG2 C 13 20.96 0.20 . 1 . . . . 45 VAL CG2 . 7126 1 278 . 1 1 45 45 VAL N N 15 114.28 0.20 . 1 . . . . 45 VAL N . 7126 1 279 . 1 1 46 46 ALA H H 1 8.44 0.02 . 1 . . . . 46 ALA HN . 7126 1 280 . 1 1 46 46 ALA HB1 H 1 1.08 0.02 . 1 . . . . 46 ALA QB . 7126 1 281 . 1 1 46 46 ALA HB2 H 1 1.08 0.02 . 1 . . . . 46 ALA QB . 7126 1 282 . 1 1 46 46 ALA HB3 H 1 1.08 0.02 . 1 . . . . 46 ALA QB . 7126 1 283 . 1 1 46 46 ALA CA C 13 49.34 0.20 . 1 . . . . 46 ALA CA . 7126 1 284 . 1 1 46 46 ALA CB C 13 17.16 0.20 . 1 . . . . 46 ALA CB . 7126 1 285 . 1 1 46 46 ALA N N 15 129.75 0.20 . 1 . . . . 46 ALA N . 7126 1 286 . 1 1 47 47 PRO CA C 13 63.38 0.20 . 1 . . . . 47 PRO CA . 7126 1 287 . 1 1 47 47 PRO CB C 13 30.54 0.20 . 1 . . . . 47 PRO CB . 7126 1 288 . 1 1 48 48 GLY H H 1 8.53 0.02 . 1 . . . . 48 GLY HN . 7126 1 289 . 1 1 48 48 GLY CA C 13 44.70 0.20 . 1 . . . . 48 GLY CA . 7126 1 290 . 1 1 48 48 GLY N N 15 116.16 0.20 . 1 . . . . 48 GLY N . 7126 1 291 . 1 1 49 49 LYS H H 1 7.86 0.02 . 1 . . . . 49 LYS HN . 7126 1 292 . 1 1 49 49 LYS CA C 13 52.64 0.20 . 1 . . . . 49 LYS CA . 7126 1 293 . 1 1 49 49 LYS CB C 13 32.17 0.20 . 1 . . . . 49 LYS CB . 7126 1 294 . 1 1 49 49 LYS N N 15 123.31 0.20 . 1 . . . . 49 LYS N . 7126 1 295 . 1 1 50 50 SER H H 1 8.01 0.02 . 1 . . . . 50 SER HN . 7126 1 296 . 1 1 50 50 SER CA C 13 56.38 0.20 . 1 . . . . 50 SER CA . 7126 1 297 . 1 1 50 50 SER CB C 13 67.11 0.20 . 1 . . . . 50 SER CB . 7126 1 298 . 1 1 50 50 SER N N 15 117.45 0.20 . 1 . . . . 50 SER N . 7126 1 299 . 1 1 51 51 ILE H H 1 8.47 0.02 . 1 . . . . 51 ILE HN . 7126 1 300 . 1 1 51 51 ILE HG21 H 1 0.89 0.02 . 1 . . . . 51 ILE QG2 . 7126 1 301 . 1 1 51 51 ILE HG22 H 1 0.89 0.02 . 1 . . . . 51 ILE QG2 . 7126 1 302 . 1 1 51 51 ILE HG23 H 1 0.89 0.02 . 1 . . . . 51 ILE QG2 . 7126 1 303 . 1 1 51 51 ILE HD11 H 1 -0.42 0.02 . 1 . . . . 51 ILE QD1 . 7126 1 304 . 1 1 51 51 ILE HD12 H 1 -0.42 0.02 . 1 . . . . 51 ILE QD1 . 7126 1 305 . 1 1 51 51 ILE HD13 H 1 -0.42 0.02 . 1 . . . . 51 ILE QD1 . 7126 1 306 . 1 1 51 51 ILE CA C 13 56.61 0.20 . 1 . . . . 51 ILE CA . 7126 1 307 . 1 1 51 51 ILE CB C 13 34.59 0.20 . 1 . . . . 51 ILE CB . 7126 1 308 . 1 1 51 51 ILE CG2 C 13 18.30 0.20 . 1 . . . . 51 ILE CG2 . 7126 1 309 . 1 1 51 51 ILE CD1 C 13 7.73 0.20 . 1 . . . . 51 ILE CD1 . 7126 1 310 . 1 1 51 51 ILE N N 15 127.44 0.20 . 1 . . . . 51 ILE N . 7126 1 311 . 1 1 52 52 GLY H H 1 9.15 0.02 . 1 . . . . 52 GLY HN . 7126 1 312 . 1 1 52 52 GLY CA C 13 47.56 0.20 . 1 . . . . 52 GLY CA . 7126 1 313 . 1 1 52 52 GLY N N 15 118.30 0.20 . 1 . . . . 52 GLY N . 7126 1 314 . 1 1 53 53 GLY H H 1 9.70 0.02 . 1 . . . . 53 GLY HN . 7126 1 315 . 1 1 53 53 GLY CA C 13 43.54 0.20 . 1 . . . . 53 GLY CA . 7126 1 316 . 1 1 53 53 GLY N N 15 111.18 0.20 . 1 . . . . 53 GLY N . 7126 1 317 . 1 1 54 54 ASP H H 1 9.03 0.02 . 1 . . . . 54 ASP HN . 7126 1 318 . 1 1 54 54 ASP CA C 13 55.28 0.20 . 1 . . . . 54 ASP CA . 7126 1 319 . 1 1 54 54 ASP CB C 13 41.36 0.20 . 1 . . . . 54 ASP CB . 7126 1 320 . 1 1 54 54 ASP N N 15 126.88 0.20 . 1 . . . . 54 ASP N . 7126 1 321 . 1 1 55 55 ILE H H 1 8.42 0.02 . 1 . . . . 55 ILE HN . 7126 1 322 . 1 1 55 55 ILE HG21 H 1 0.84 0.02 . 1 . . . . 55 ILE QG2 . 7126 1 323 . 1 1 55 55 ILE HG22 H 1 0.84 0.02 . 1 . . . . 55 ILE QG2 . 7126 1 324 . 1 1 55 55 ILE HG23 H 1 0.84 0.02 . 1 . . . . 55 ILE QG2 . 7126 1 325 . 1 1 55 55 ILE HD11 H 1 0.91 0.02 . 1 . . . . 55 ILE QD1 . 7126 1 326 . 1 1 55 55 ILE HD12 H 1 0.91 0.02 . 1 . . . . 55 ILE QD1 . 7126 1 327 . 1 1 55 55 ILE HD13 H 1 0.91 0.02 . 1 . . . . 55 ILE QD1 . 7126 1 328 . 1 1 55 55 ILE CA C 13 60.66 0.20 . 1 . . . . 55 ILE CA . 7126 1 329 . 1 1 55 55 ILE CB C 13 37.16 0.20 . 1 . . . . 55 ILE CB . 7126 1 330 . 1 1 55 55 ILE CG2 C 13 15.76 0.20 . 1 . . . . 55 ILE CG2 . 7126 1 331 . 1 1 55 55 ILE CD1 C 13 10.31 0.20 . 1 . . . . 55 ILE CD1 . 7126 1 332 . 1 1 55 55 ILE N N 15 122.41 0.20 . 1 . . . . 55 ILE N . 7126 1 333 . 1 1 56 56 PHE H H 1 9.25 0.02 . 1 . . . . 56 PHE HN . 7126 1 334 . 1 1 56 56 PHE CA C 13 54.74 0.20 . 1 . . . . 56 PHE CA . 7126 1 335 . 1 1 56 56 PHE CB C 13 39.57 0.20 . 1 . . . . 56 PHE CB . 7126 1 336 . 1 1 56 56 PHE N N 15 134.90 0.20 . 1 . . . . 56 PHE N . 7126 1 337 . 1 1 57 57 SER CA C 13 59.33 0.20 . 1 . . . . 57 SER CA . 7126 1 338 . 1 1 57 57 SER CB C 13 61.43 0.20 . 1 . . . . 57 SER CB . 7126 1 339 . 1 1 57 57 SER N N 15 127.44 0.20 . 1 . . . . 57 SER N . 7126 1 340 . 1 1 58 58 ASN CA C 13 52.33 0.20 . 1 . . . . 58 ASN CA . 7126 1 341 . 1 1 58 58 ASN CB C 13 34.82 0.20 . 1 . . . . 58 ASN CB . 7126 1 342 . 1 1 59 59 ARG H H 1 10.33 0.02 . 1 . . . . 59 ARG HN . 7126 1 343 . 1 1 59 59 ARG CA C 13 58.32 0.20 . 1 . . . . 59 ARG CA . 7126 1 344 . 1 1 59 59 ARG CB C 13 30.23 0.20 . 1 . . . . 59 ARG CB . 7126 1 345 . 1 1 59 59 ARG N N 15 126.59 0.20 . 1 . . . . 59 ARG N . 7126 1 346 . 1 1 60 60 GLU H H 1 8.06 0.02 . 1 . . . . 60 GLU HN . 7126 1 347 . 1 1 60 60 GLU CA C 13 54.82 0.20 . 1 . . . . 60 GLU CA . 7126 1 348 . 1 1 60 60 GLU CB C 13 28.05 0.20 . 1 . . . . 60 GLU CB . 7126 1 349 . 1 1 60 60 GLU N N 15 119.11 0.20 . 1 . . . . 60 GLU N . 7126 1 350 . 1 1 61 61 GLY H H 1 7.51 0.02 . 1 . . . . 61 GLY HN . 7126 1 351 . 1 1 61 61 GLY CA C 13 45.17 0.20 . 1 . . . . 61 GLY CA . 7126 1 352 . 1 1 61 61 GLY N N 15 111.75 0.20 . 1 . . . . 61 GLY N . 7126 1 353 . 1 1 62 62 LYS H H 1 7.86 0.02 . 1 . . . . 62 LYS HN . 7126 1 354 . 1 1 62 62 LYS CA C 13 57.31 0.20 . 1 . . . . 62 LYS CA . 7126 1 355 . 1 1 62 62 LYS CB C 13 32.17 0.20 . 1 . . . . 62 LYS CB . 7126 1 356 . 1 1 62 62 LYS N N 15 121.13 0.20 . 1 . . . . 62 LYS N . 7126 1 357 . 1 1 63 63 LEU H H 1 7.57 0.02 . 1 . . . . 63 LEU HN . 7126 1 358 . 1 1 63 63 LEU HD11 H 1 -1.11 0.02 . 1 . . . . 63 LEU QD1 . 7126 1 359 . 1 1 63 63 LEU HD12 H 1 -1.11 0.02 . 1 . . . . 63 LEU QD1 . 7126 1 360 . 1 1 63 63 LEU HD13 H 1 -1.11 0.02 . 1 . . . . 63 LEU QD1 . 7126 1 361 . 1 1 63 63 LEU HD21 H 1 -1.06 0.02 . 1 . . . . 63 LEU QD2 . 7126 1 362 . 1 1 63 63 LEU HD22 H 1 -1.06 0.02 . 1 . . . . 63 LEU QD2 . 7126 1 363 . 1 1 63 63 LEU HD23 H 1 -1.06 0.02 . 1 . . . . 63 LEU QD2 . 7126 1 364 . 1 1 63 63 LEU CA C 13 50.46 0.20 . 1 . . . . 63 LEU CA . 7126 1 365 . 1 1 63 63 LEU CD1 C 13 23.27 0.20 . 1 . . . . 63 LEU CD1 . 7126 1 366 . 1 1 63 63 LEU CD2 C 13 19.76 0.20 . 1 . . . . 63 LEU CD2 . 7126 1 367 . 1 1 63 63 LEU N N 15 122.39 0.20 . 1 . . . . 63 LEU N . 7126 1 368 . 1 1 64 64 PRO CA C 13 62.29 0.20 . 1 . . . . 64 PRO CA . 7126 1 369 . 1 1 64 64 PRO CB C 13 30.77 0.20 . 1 . . . . 64 PRO CB . 7126 1 370 . 1 1 65 65 GLY H H 1 8.60 0.02 . 1 . . . . 65 GLY HN . 7126 1 371 . 1 1 65 65 GLY CA C 13 42.84 0.20 . 1 . . . . 65 GLY CA . 7126 1 372 . 1 1 65 65 GLY N N 15 118.33 0.20 . 1 . . . . 65 GLY N . 7126 1 373 . 1 1 66 66 LYS H H 1 8.19 0.02 . 1 . . . . 66 LYS HN . 7126 1 374 . 1 1 66 66 LYS CA C 13 55.70 0.20 . 1 . . . . 66 LYS CA . 7126 1 375 . 1 1 66 66 LYS CB C 13 34.43 0.20 . 1 . . . . 66 LYS CB . 7126 1 376 . 1 1 66 66 LYS N N 15 124.62 0.20 . 1 . . . . 66 LYS N . 7126 1 377 . 1 1 68 68 GLY CA C 13 44.55 0.20 . 1 . . . . 68 GLY CA . 7126 1 378 . 1 1 69 69 ARG H H 1 8.02 0.02 . 1 . . . . 69 ARG HN . 7126 1 379 . 1 1 69 69 ARG CA C 13 54.66 0.20 . 1 . . . . 69 ARG CA . 7126 1 380 . 1 1 69 69 ARG CB C 13 30.85 0.20 . 1 . . . . 69 ARG CB . 7126 1 381 . 1 1 69 69 ARG N N 15 125.77 0.20 . 1 . . . . 69 ARG N . 7126 1 382 . 1 1 70 70 THR H H 1 8.16 0.02 . 1 . . . . 70 THR HN . 7126 1 383 . 1 1 70 70 THR HG21 H 1 1.09 0.02 . 1 . . . . 70 THR QG2 . 7126 1 384 . 1 1 70 70 THR HG22 H 1 1.09 0.02 . 1 . . . . 70 THR QG2 . 7126 1 385 . 1 1 70 70 THR HG23 H 1 1.09 0.02 . 1 . . . . 70 THR QG2 . 7126 1 386 . 1 1 70 70 THR CA C 13 59.64 0.20 . 1 . . . . 70 THR CA . 7126 1 387 . 1 1 70 70 THR CB C 13 70.46 0.20 . 1 . . . . 70 THR CB . 7126 1 388 . 1 1 70 70 THR CG2 C 13 19.76 0.20 . 1 . . . . 70 THR CG2 . 7126 1 389 . 1 1 70 70 THR N N 15 126.55 0.20 . 1 . . . . 70 THR N . 7126 1 390 . 1 1 71 71 TRP H H 1 9.09 0.02 . 1 . . . . 71 TRP HN . 7126 1 391 . 1 1 71 71 TRP CA C 13 55.91 0.20 . 1 . . . . 71 TRP CA . 7126 1 392 . 1 1 71 71 TRP CB C 13 32.40 0.20 . 1 . . . . 71 TRP CB . 7126 1 393 . 1 1 71 71 TRP N N 15 127.99 0.20 . 1 . . . . 71 TRP N . 7126 1 394 . 1 1 72 72 ARG H H 1 8.61 0.02 . 1 . . . . 72 ARG HN . 7126 1 395 . 1 1 72 72 ARG CA C 13 54.46 0.20 . 1 . . . . 72 ARG CA . 7126 1 396 . 1 1 72 72 ARG CB C 13 33.81 0.20 . 1 . . . . 72 ARG CB . 7126 1 397 . 1 1 72 72 ARG N N 15 125.79 0.20 . 1 . . . . 72 ARG N . 7126 1 398 . 1 1 73 73 GLU H H 1 8.22 0.02 . 1 . . . . 73 GLU HN . 7126 1 399 . 1 1 73 73 GLU CA C 13 52.10 0.20 . 1 . . . . 73 GLU CA . 7126 1 400 . 1 1 73 73 GLU CB C 13 36.13 0.20 . 1 . . . . 73 GLU CB . 7126 1 401 . 1 1 73 73 GLU N N 15 118.24 0.20 . 1 . . . . 73 GLU N . 7126 1 402 . 1 1 74 74 ALA H H 1 9.08 0.02 . 1 . . . . 74 ALA HN . 7126 1 403 . 1 1 74 74 ALA HB1 H 1 1.29 0.02 . 1 . . . . 74 ALA QB . 7126 1 404 . 1 1 74 74 ALA HB2 H 1 1.29 0.02 . 1 . . . . 74 ALA QB . 7126 1 405 . 1 1 74 74 ALA HB3 H 1 1.29 0.02 . 1 . . . . 74 ALA QB . 7126 1 406 . 1 1 74 74 ALA CA C 13 51.40 0.20 . 1 . . . . 74 ALA CA . 7126 1 407 . 1 1 74 74 ALA CB C 13 21.44 0.20 . 1 . . . . 74 ALA CB . 7126 1 408 . 1 1 74 74 ALA N N 15 123.31 0.20 . 1 . . . . 74 ALA N . 7126 1 409 . 1 1 75 75 ASP H H 1 9.63 0.02 . 1 . . . . 75 ASP HN . 7126 1 410 . 1 1 75 75 ASP CA C 13 54.51 0.20 . 1 . . . . 75 ASP CA . 7126 1 411 . 1 1 75 75 ASP CB C 13 39.88 0.20 . 1 . . . . 75 ASP CB . 7126 1 412 . 1 1 75 75 ASP N N 15 127.03 0.20 . 1 . . . . 75 ASP N . 7126 1 413 . 1 1 76 76 ILE H H 1 7.64 0.02 . 1 . . . . 76 ILE HN . 7126 1 414 . 1 1 76 76 ILE HG21 H 1 -0.34 0.02 . 1 . . . . 76 ILE QG2 . 7126 1 415 . 1 1 76 76 ILE HG22 H 1 -0.34 0.02 . 1 . . . . 76 ILE QG2 . 7126 1 416 . 1 1 76 76 ILE HG23 H 1 -0.34 0.02 . 1 . . . . 76 ILE QG2 . 7126 1 417 . 1 1 76 76 ILE HD11 H 1 0.32 0.02 . 1 . . . . 76 ILE QD1 . 7126 1 418 . 1 1 76 76 ILE HD12 H 1 0.32 0.02 . 1 . . . . 76 ILE QD1 . 7126 1 419 . 1 1 76 76 ILE HD13 H 1 0.32 0.02 . 1 . . . . 76 ILE QD1 . 7126 1 420 . 1 1 76 76 ILE CA C 13 55.22 0.20 . 1 . . . . 76 ILE CA . 7126 1 421 . 1 1 76 76 ILE CB C 13 37.93 0.20 . 1 . . . . 76 ILE CB . 7126 1 422 . 1 1 76 76 ILE CG2 C 13 13.81 0.20 . 1 . . . . 76 ILE CG2 . 7126 1 423 . 1 1 76 76 ILE CD1 C 13 7.15 0.20 . 1 . . . . 76 ILE CD1 . 7126 1 424 . 1 1 76 76 ILE N N 15 130.37 0.20 . 1 . . . . 76 ILE N . 7126 1 425 . 1 1 77 77 ASN H H 1 8.67 0.02 . 1 . . . . 77 ASN HN . 7126 1 426 . 1 1 77 77 ASN CA C 13 54.04 0.20 . 1 . . . . 77 ASN CA . 7126 1 427 . 1 1 77 77 ASN CB C 13 35.05 0.20 . 1 . . . . 77 ASN CB . 7126 1 428 . 1 1 77 77 ASN N N 15 119.12 0.20 . 1 . . . . 77 ASN N . 7126 1 429 . 1 1 78 78 TYR H H 1 8.92 0.02 . 1 . . . . 78 TYR HN . 7126 1 430 . 1 1 78 78 TYR CA C 13 58.99 0.20 . 1 . . . . 78 TYR CA . 7126 1 431 . 1 1 78 78 TYR CB C 13 37.23 0.20 . 1 . . . . 78 TYR CB . 7126 1 432 . 1 1 78 78 TYR N N 15 125.92 0.20 . 1 . . . . 78 TYR N . 7126 1 433 . 1 1 79 79 THR H H 1 8.12 0.02 . 1 . . . . 79 THR HN . 7126 1 434 . 1 1 79 79 THR HG21 H 1 1.04 0.02 . 1 . . . . 79 THR QG2 . 7126 1 435 . 1 1 79 79 THR HG22 H 1 1.04 0.02 . 1 . . . . 79 THR QG2 . 7126 1 436 . 1 1 79 79 THR HG23 H 1 1.04 0.02 . 1 . . . . 79 THR QG2 . 7126 1 437 . 1 1 79 79 THR CA C 13 62.37 0.20 . 1 . . . . 79 THR CA . 7126 1 438 . 1 1 79 79 THR CB C 13 68.98 0.20 . 1 . . . . 79 THR CB . 7126 1 439 . 1 1 79 79 THR CG2 C 13 20.91 0.20 . 1 . . . . 79 THR CG2 . 7126 1 440 . 1 1 79 79 THR N N 15 124.37 0.20 . 1 . . . . 79 THR N . 7126 1 441 . 1 1 80 80 SER H H 1 7.16 0.02 . 1 . . . . 80 SER HN . 7126 1 442 . 1 1 80 80 SER CA C 13 57.31 0.20 . 1 . . . . 80 SER CA . 7126 1 443 . 1 1 80 80 SER CB C 13 63.85 0.20 . 1 . . . . 80 SER CB . 7126 1 444 . 1 1 80 80 SER N N 15 117.22 0.20 . 1 . . . . 80 SER N . 7126 1 445 . 1 1 81 81 GLY H H 1 8.86 0.02 . 1 . . . . 81 GLY HN . 7126 1 446 . 1 1 81 81 GLY CA C 13 44.18 0.20 . 1 . . . . 81 GLY CA . 7126 1 447 . 1 1 81 81 GLY N N 15 111.78 0.20 . 1 . . . . 81 GLY N . 7126 1 448 . 1 1 82 82 PHE H H 1 8.86 0.02 . 1 . . . . 82 PHE HN . 7126 1 449 . 1 1 82 82 PHE CA C 13 58.32 0.20 . 1 . . . . 82 PHE CA . 7126 1 450 . 1 1 82 82 PHE CB C 13 39.02 0.20 . 1 . . . . 82 PHE CB . 7126 1 451 . 1 1 82 82 PHE N N 15 127.46 0.20 . 1 . . . . 82 PHE N . 7126 1 452 . 1 1 83 83 ARG H H 1 7.72 0.02 . 1 . . . . 83 ARG HN . 7126 1 453 . 1 1 83 83 ARG CA C 13 57.78 0.20 . 1 . . . . 83 ARG CA . 7126 1 454 . 1 1 83 83 ARG CB C 13 30.54 0.20 . 1 . . . . 83 ARG CB . 7126 1 455 . 1 1 83 83 ARG N N 15 121.91 0.20 . 1 . . . . 83 ARG N . 7126 1 456 . 1 1 84 84 ASN H H 1 9.08 0.02 . 1 . . . . 84 ASN HN . 7126 1 457 . 1 1 84 84 ASN CA C 13 51.63 0.20 . 1 . . . . 84 ASN CA . 7126 1 458 . 1 1 84 84 ASN CB C 13 38.40 0.20 . 1 . . . . 84 ASN CB . 7126 1 459 . 1 1 84 84 ASN N N 15 129.05 0.20 . 1 . . . . 84 ASN N . 7126 1 460 . 1 1 85 85 SER H H 1 7.41 0.02 . 1 . . . . 85 SER HN . 7126 1 461 . 1 1 85 85 SER CA C 13 57.62 0.20 . 1 . . . . 85 SER CA . 7126 1 462 . 1 1 85 85 SER CB C 13 64.31 0.20 . 1 . . . . 85 SER CB . 7126 1 463 . 1 1 85 85 SER N N 15 113.74 0.20 . 1 . . . . 85 SER N . 7126 1 464 . 1 1 86 86 ASP H H 1 7.36 0.02 . 1 . . . . 86 ASP HN . 7126 1 465 . 1 1 86 86 ASP CA C 13 53.81 0.20 . 1 . . . . 86 ASP CA . 7126 1 466 . 1 1 86 86 ASP CB C 13 41.36 0.20 . 1 . . . . 86 ASP CB . 7126 1 467 . 1 1 86 86 ASP N N 15 127.17 0.20 . 1 . . . . 86 ASP N . 7126 1 468 . 1 1 87 87 ARG H H 1 9.42 0.02 . 1 . . . . 87 ARG HN . 7126 1 469 . 1 1 87 87 ARG CA C 13 52.64 0.20 . 1 . . . . 87 ARG CA . 7126 1 470 . 1 1 87 87 ARG CB C 13 31.71 0.20 . 1 . . . . 87 ARG CB . 7126 1 471 . 1 1 87 87 ARG N N 15 127.51 0.20 . 1 . . . . 87 ARG N . 7126 1 472 . 1 1 88 88 ILE H H 1 9.62 0.02 . 1 . . . . 88 ILE HN . 7126 1 473 . 1 1 88 88 ILE HG21 H 1 1.09 0.02 . 1 . . . . 88 ILE QG2 . 7126 1 474 . 1 1 88 88 ILE HG22 H 1 1.09 0.02 . 1 . . . . 88 ILE QG2 . 7126 1 475 . 1 1 88 88 ILE HG23 H 1 1.09 0.02 . 1 . . . . 88 ILE QG2 . 7126 1 476 . 1 1 88 88 ILE HD11 H 1 1.10 0.02 . 1 . . . . 88 ILE QD1 . 7126 1 477 . 1 1 88 88 ILE HD12 H 1 1.10 0.02 . 1 . . . . 88 ILE QD1 . 7126 1 478 . 1 1 88 88 ILE HD13 H 1 1.10 0.02 . 1 . . . . 88 ILE QD1 . 7126 1 479 . 1 1 88 88 ILE CA C 13 58.71 0.20 . 1 . . . . 88 ILE CA . 7126 1 480 . 1 1 88 88 ILE CB C 13 41.20 0.20 . 1 . . . . 88 ILE CB . 7126 1 481 . 1 1 88 88 ILE CG2 C 13 16.29 0.20 . 1 . . . . 88 ILE CG2 . 7126 1 482 . 1 1 88 88 ILE CD1 C 13 14.56 0.20 . 1 . . . . 88 ILE CD1 . 7126 1 483 . 1 1 88 88 ILE N N 15 127.65 0.20 . 1 . . . . 88 ILE N . 7126 1 484 . 1 1 89 89 LEU H H 1 9.30 0.02 . 1 . . . . 89 LEU HN . 7126 1 485 . 1 1 89 89 LEU HD11 H 1 0.25 0.02 . 1 . . . . 89 LEU QD1 . 7126 1 486 . 1 1 89 89 LEU HD12 H 1 0.25 0.02 . 1 . . . . 89 LEU QD1 . 7126 1 487 . 1 1 89 89 LEU HD13 H 1 0.25 0.02 . 1 . . . . 89 LEU QD1 . 7126 1 488 . 1 1 89 89 LEU HD21 H 1 0.57 0.02 . 1 . . . . 89 LEU QD2 . 7126 1 489 . 1 1 89 89 LEU HD22 H 1 0.57 0.02 . 1 . . . . 89 LEU QD2 . 7126 1 490 . 1 1 89 89 LEU HD23 H 1 0.57 0.02 . 1 . . . . 89 LEU QD2 . 7126 1 491 . 1 1 89 89 LEU CA C 13 51.39 0.20 . 1 . . . . 89 LEU CA . 7126 1 492 . 1 1 89 89 LEU CB C 13 41.59 0.20 . 1 . . . . 89 LEU CB . 7126 1 493 . 1 1 89 89 LEU CD1 C 13 22.70 0.20 . 1 . . . . 89 LEU CD1 . 7126 1 494 . 1 1 89 89 LEU CD2 C 13 23.71 0.20 . 1 . . . . 89 LEU CD2 . 7126 1 495 . 1 1 89 89 LEU N N 15 132.92 0.20 . 1 . . . . 89 LEU N . 7126 1 496 . 1 1 90 90 TYR H H 1 9.11 0.02 . 1 . . . . 90 TYR HN . 7126 1 497 . 1 1 90 90 TYR CA C 13 53.34 0.20 . 1 . . . . 90 TYR CA . 7126 1 498 . 1 1 90 90 TYR CB C 13 41.20 0.20 . 1 . . . . 90 TYR CB . 7126 1 499 . 1 1 90 90 TYR N N 15 122.29 0.20 . 1 . . . . 90 TYR N . 7126 1 500 . 1 1 91 91 SER H H 1 8.79 0.02 . 1 . . . . 91 SER HN . 7126 1 501 . 1 1 91 91 SER CA C 13 55.36 0.20 . 1 . . . . 91 SER CA . 7126 1 502 . 1 1 91 91 SER N N 15 125.00 0.20 . 1 . . . . 91 SER N . 7126 1 503 . 1 1 92 92 SER H H 1 8.05 0.02 . 1 . . . . 92 SER HN . 7126 1 504 . 1 1 92 92 SER CA C 13 58.55 0.20 . 1 . . . . 92 SER CA . 7126 1 505 . 1 1 92 92 SER CB C 13 61.36 0.20 . 1 . . . . 92 SER CB . 7126 1 506 . 1 1 92 92 SER N N 15 117.66 0.20 . 1 . . . . 92 SER N . 7126 1 507 . 1 1 93 93 ASP H H 1 7.91 0.02 . 1 . . . . 93 ASP HN . 7126 1 508 . 1 1 93 93 ASP CA C 13 51.08 0.20 . 1 . . . . 93 ASP CA . 7126 1 509 . 1 1 93 93 ASP CB C 13 36.92 0.20 . 1 . . . . 93 ASP CB . 7126 1 510 . 1 1 93 93 ASP N N 15 119.30 0.20 . 1 . . . . 93 ASP N . 7126 1 511 . 1 1 94 94 TRP H H 1 7.10 0.02 . 1 . . . . 94 TRP HN . 7126 1 512 . 1 1 94 94 TRP CA C 13 57.31 0.20 . 1 . . . . 94 TRP CA . 7126 1 513 . 1 1 94 94 TRP CB C 13 24.47 0.20 . 1 . . . . 94 TRP CB . 7126 1 514 . 1 1 94 94 TRP N N 15 119.73 0.20 . 1 . . . . 94 TRP N . 7126 1 515 . 1 1 95 95 LEU H H 1 8.07 0.02 . 1 . . . . 95 LEU HN . 7126 1 516 . 1 1 95 95 LEU HD11 H 1 1.06 0.02 . 1 . . . . 95 LEU QD1 . 7126 1 517 . 1 1 95 95 LEU HD12 H 1 1.06 0.02 . 1 . . . . 95 LEU QD1 . 7126 1 518 . 1 1 95 95 LEU HD13 H 1 1.06 0.02 . 1 . . . . 95 LEU QD1 . 7126 1 519 . 1 1 95 95 LEU HD21 H 1 0.97 0.02 . 1 . . . . 95 LEU QD2 . 7126 1 520 . 1 1 95 95 LEU HD22 H 1 0.97 0.02 . 1 . . . . 95 LEU QD2 . 7126 1 521 . 1 1 95 95 LEU HD23 H 1 0.97 0.02 . 1 . . . . 95 LEU QD2 . 7126 1 522 . 1 1 95 95 LEU CA C 13 55.06 0.20 . 1 . . . . 95 LEU CA . 7126 1 523 . 1 1 95 95 LEU CB C 13 42.06 0.20 . 1 . . . . 95 LEU CB . 7126 1 524 . 1 1 95 95 LEU CD1 C 13 22.87 0.20 . 1 . . . . 95 LEU CD1 . 7126 1 525 . 1 1 95 95 LEU CD2 C 13 24.05 0.20 . 1 . . . . 95 LEU CD2 . 7126 1 526 . 1 1 95 95 LEU N N 15 123.69 0.20 . 1 . . . . 95 LEU N . 7126 1 527 . 1 1 96 96 ILE H H 1 8.64 0.02 . 1 . . . . 96 ILE HN . 7126 1 528 . 1 1 96 96 ILE HG21 H 1 1.18 0.02 . 1 . . . . 96 ILE QG2 . 7126 1 529 . 1 1 96 96 ILE HG22 H 1 1.18 0.02 . 1 . . . . 96 ILE QG2 . 7126 1 530 . 1 1 96 96 ILE HG23 H 1 1.18 0.02 . 1 . . . . 96 ILE QG2 . 7126 1 531 . 1 1 96 96 ILE HD11 H 1 1.07 0.02 . 1 . . . . 96 ILE QD1 . 7126 1 532 . 1 1 96 96 ILE HD12 H 1 1.07 0.02 . 1 . . . . 96 ILE QD1 . 7126 1 533 . 1 1 96 96 ILE HD13 H 1 1.07 0.02 . 1 . . . . 96 ILE QD1 . 7126 1 534 . 1 1 96 96 ILE CA C 13 60.42 0.20 . 1 . . . . 96 ILE CA . 7126 1 535 . 1 1 96 96 ILE CB C 13 39.26 0.20 . 1 . . . . 96 ILE CB . 7126 1 536 . 1 1 96 96 ILE CG2 C 13 17.94 0.20 . 1 . . . . 96 ILE CG2 . 7126 1 537 . 1 1 96 96 ILE CD1 C 13 13.39 0.20 . 1 . . . . 96 ILE CD1 . 7126 1 538 . 1 1 96 96 ILE N N 15 122.69 0.20 . 1 . . . . 96 ILE N . 7126 1 539 . 1 1 97 97 TYR H H 1 10.25 0.02 . 1 . . . . 97 TYR HN . 7126 1 540 . 1 1 97 97 TYR CA C 13 55.86 0.20 . 1 . . . . 97 TYR CA . 7126 1 541 . 1 1 97 97 TYR CB C 13 43.77 0.20 . 1 . . . . 97 TYR CB . 7126 1 542 . 1 1 97 97 TYR N N 15 132.79 0.20 . 1 . . . . 97 TYR N . 7126 1 543 . 1 1 98 98 LYS H H 1 9.39 0.02 . 1 . . . . 98 LYS HN . 7126 1 544 . 1 1 98 98 LYS CA C 13 53.26 0.20 . 1 . . . . 98 LYS CA . 7126 1 545 . 1 1 98 98 LYS CB C 13 37.54 0.20 . 1 . . . . 98 LYS CB . 7126 1 546 . 1 1 98 98 LYS N N 15 119.88 0.20 . 1 . . . . 98 LYS N . 7126 1 547 . 1 1 99 99 THR H H 1 8.70 0.02 . 1 . . . . 99 THR HN . 7126 1 548 . 1 1 99 99 THR HG21 H 1 1.04 0.02 . 1 . . . . 99 THR QG2 . 7126 1 549 . 1 1 99 99 THR HG22 H 1 1.04 0.02 . 1 . . . . 99 THR QG2 . 7126 1 550 . 1 1 99 99 THR HG23 H 1 1.04 0.02 . 1 . . . . 99 THR QG2 . 7126 1 551 . 1 1 99 99 THR CA C 13 58.94 0.20 . 1 . . . . 99 THR CA . 7126 1 552 . 1 1 99 99 THR CB C 13 69.22 0.20 . 1 . . . . 99 THR CB . 7126 1 553 . 1 1 99 99 THR CG2 C 13 18.47 0.20 . 1 . . . . 99 THR CG2 . 7126 1 554 . 1 1 99 99 THR N N 15 119.54 0.20 . 1 . . . . 99 THR N . 7126 1 555 . 1 1 100 100 THR H H 1 8.98 0.02 . 1 . . . . 100 THR HN . 7126 1 556 . 1 1 100 100 THR HG21 H 1 1.04 0.02 . 1 . . . . 100 THR QG2 . 7126 1 557 . 1 1 100 100 THR HG22 H 1 1.04 0.02 . 1 . . . . 100 THR QG2 . 7126 1 558 . 1 1 100 100 THR HG23 H 1 1.04 0.02 . 1 . . . . 100 THR QG2 . 7126 1 559 . 1 1 100 100 THR CA C 13 59.80 0.20 . 1 . . . . 100 THR CA . 7126 1 560 . 1 1 100 100 THR CB C 13 68.20 0.20 . 1 . . . . 100 THR CB . 7126 1 561 . 1 1 100 100 THR CG2 C 13 16.56 0.20 . 1 . . . . 100 THR CG2 . 7126 1 562 . 1 1 100 100 THR N N 15 121.18 0.20 . 1 . . . . 100 THR N . 7126 1 563 . 1 1 101 101 ASP H H 1 8.24 0.02 . 1 . . . . 101 ASP HN . 7126 1 564 . 1 1 101 101 ASP CA C 13 50.69 0.20 . 1 . . . . 101 ASP CA . 7126 1 565 . 1 1 101 101 ASP CB C 13 39.02 0.20 . 1 . . . . 101 ASP CB . 7126 1 566 . 1 1 101 101 ASP N N 15 127.87 0.20 . 1 . . . . 101 ASP N . 7126 1 567 . 1 1 102 102 HIS H H 1 8.22 0.02 . 1 . . . . 102 HIS HN . 7126 1 568 . 1 1 102 102 HIS CA C 13 57.70 0.20 . 1 . . . . 102 HIS CA . 7126 1 569 . 1 1 102 102 HIS CB C 13 30.85 0.20 . 1 . . . . 102 HIS CB . 7126 1 570 . 1 1 102 102 HIS N N 15 122.68 0.20 . 1 . . . . 102 HIS N . 7126 1 571 . 1 1 103 103 TYR H H 1 7.12 0.02 . 1 . . . . 103 TYR HN . 7126 1 572 . 1 1 103 103 TYR CA C 13 57.31 0.20 . 1 . . . . 103 TYR CA . 7126 1 573 . 1 1 103 103 TYR CB C 13 34.82 0.20 . 1 . . . . 103 TYR CB . 7126 1 574 . 1 1 103 103 TYR N N 15 110.80 0.20 . 1 . . . . 103 TYR N . 7126 1 575 . 1 1 104 104 GLN H H 1 7.22 0.02 . 1 . . . . 104 GLN HN . 7126 1 576 . 1 1 104 104 GLN CA C 13 58.24 0.20 . 1 . . . . 104 GLN CA . 7126 1 577 . 1 1 104 104 GLN CB C 13 28.28 0.20 . 1 . . . . 104 GLN CB . 7126 1 578 . 1 1 104 104 GLN N N 15 123.74 0.20 . 1 . . . . 104 GLN N . 7126 1 579 . 1 1 105 105 THR H H 1 9.73 0.02 . 1 . . . . 105 THR HN . 7126 1 580 . 1 1 105 105 THR HG21 H 1 1.20 0.02 . 1 . . . . 105 THR QG2 . 7126 1 581 . 1 1 105 105 THR HG22 H 1 1.20 0.02 . 1 . . . . 105 THR QG2 . 7126 1 582 . 1 1 105 105 THR HG23 H 1 1.20 0.02 . 1 . . . . 105 THR QG2 . 7126 1 583 . 1 1 105 105 THR CA C 13 59.49 0.20 . 1 . . . . 105 THR CA . 7126 1 584 . 1 1 105 105 THR CB C 13 71.24 0.20 . 1 . . . . 105 THR CB . 7126 1 585 . 1 1 105 105 THR CG2 C 13 21.16 0.20 . 1 . . . . 105 THR CG2 . 7126 1 586 . 1 1 105 105 THR N N 15 118.09 0.20 . 1 . . . . 105 THR N . 7126 1 587 . 1 1 106 106 PHE H H 1 8.55 0.02 . 1 . . . . 106 PHE HN . 7126 1 588 . 1 1 106 106 PHE CA C 13 55.13 0.20 . 1 . . . . 106 PHE CA . 7126 1 589 . 1 1 106 106 PHE CB C 13 43.30 0.20 . 1 . . . . 106 PHE CB . 7126 1 590 . 1 1 106 106 PHE N N 15 121.98 0.20 . 1 . . . . 106 PHE N . 7126 1 591 . 1 1 107 107 THR H H 1 8.98 0.02 . 1 . . . . 107 THR HN . 7126 1 592 . 1 1 107 107 THR HG21 H 1 1.18 0.02 . 1 . . . . 107 THR QG2 . 7126 1 593 . 1 1 107 107 THR HG22 H 1 1.18 0.02 . 1 . . . . 107 THR QG2 . 7126 1 594 . 1 1 107 107 THR HG23 H 1 1.18 0.02 . 1 . . . . 107 THR QG2 . 7126 1 595 . 1 1 107 107 THR CA C 13 60.03 0.20 . 1 . . . . 107 THR CA . 7126 1 596 . 1 1 107 107 THR CB C 13 70.96 0.20 . 1 . . . . 107 THR CB . 7126 1 597 . 1 1 107 107 THR CG2 C 13 20.49 0.20 . 1 . . . . 107 THR CG2 . 7126 1 598 . 1 1 107 107 THR N N 15 120.88 0.20 . 1 . . . . 107 THR N . 7126 1 599 . 1 1 108 108 LYS H H 1 9.00 0.02 . 1 . . . . 108 LYS HN . 7126 1 600 . 1 1 108 108 LYS CA C 13 57.08 0.20 . 1 . . . . 108 LYS CA . 7126 1 601 . 1 1 108 108 LYS CB C 13 32.33 0.20 . 1 . . . . 108 LYS CB . 7126 1 602 . 1 1 108 108 LYS N N 15 134.61 0.20 . 1 . . . . 108 LYS N . 7126 1 603 . 1 1 109 109 ILE H H 1 9.02 0.02 . 1 . . . . 109 ILE HN . 7126 1 604 . 1 1 109 109 ILE HG21 H 1 0.82 0.02 . 1 . . . . 109 ILE QG2 . 7126 1 605 . 1 1 109 109 ILE HG22 H 1 0.82 0.02 . 1 . . . . 109 ILE QG2 . 7126 1 606 . 1 1 109 109 ILE HG23 H 1 0.82 0.02 . 1 . . . . 109 ILE QG2 . 7126 1 607 . 1 1 109 109 ILE HD11 H 1 0.86 0.02 . 1 . . . . 109 ILE QD1 . 7126 1 608 . 1 1 109 109 ILE HD12 H 1 0.86 0.02 . 1 . . . . 109 ILE QD1 . 7126 1 609 . 1 1 109 109 ILE HD13 H 1 0.86 0.02 . 1 . . . . 109 ILE QD1 . 7126 1 610 . 1 1 109 109 ILE CA C 13 61.28 0.20 . 1 . . . . 109 ILE CA . 7126 1 611 . 1 1 109 109 ILE CB C 13 38.56 0.20 . 1 . . . . 109 ILE CB . 7126 1 612 . 1 1 109 109 ILE CG2 C 13 16.98 0.20 . 1 . . . . 109 ILE CG2 . 7126 1 613 . 1 1 109 109 ILE CD1 C 13 12.68 0.20 . 1 . . . . 109 ILE CD1 . 7126 1 614 . 1 1 109 109 ILE N N 15 126.20 0.20 . 1 . . . . 109 ILE N . 7126 1 615 . 1 1 110 110 ARG H H 1 8.14 0.02 . 1 . . . . 110 ARG HN . 7126 1 616 . 1 1 110 110 ARG CA C 13 56.35 0.20 . 1 . . . . 110 ARG CA . 7126 1 617 . 1 1 110 110 ARG CB C 13 32.25 0.20 . 1 . . . . 110 ARG CB . 7126 1 618 . 1 1 110 110 ARG N N 15 131.54 0.20 . 1 . . . . 110 ARG N . 7126 1 stop_ save_