################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17689 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 17689 1 2 '2D 1H-1H NOESY' . . . 17689 1 3 '2D 1H-1H COSY' . . . 17689 1 5 '2D 1H-15N HSQC' . . . 17689 1 6 '3D HNCACB' . . . 17689 1 7 '3D CBCA(CO)NH' . . . 17689 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 MET HA H 1 4.200 0.020 . 1 . . . A 1 MET HA . 17689 1 2 . 1 1 2 2 VAL H H 1 8.565 0.020 . 1 . . . A 2 VAL H . 17689 1 3 . 1 1 2 2 VAL HA H 1 4.163 0.020 . 1 . . . A 2 VAL HA . 17689 1 4 . 1 1 2 2 VAL HB H 1 2.074 0.020 . 1 . . . A 2 VAL HB . 17689 1 5 . 1 1 2 2 VAL HG11 H 1 0.940 0.020 . 2 . . . A 2 VAL HG11 . 17689 1 6 . 1 1 2 2 VAL HG12 H 1 0.940 0.020 . 2 . . . A 2 VAL HG12 . 17689 1 7 . 1 1 2 2 VAL HG13 H 1 0.940 0.020 . 2 . . . A 2 VAL HG13 . 17689 1 8 . 1 1 2 2 VAL HG21 H 1 0.930 0.020 . 2 . . . A 2 VAL HG21 . 17689 1 9 . 1 1 2 2 VAL HG22 H 1 0.930 0.020 . 2 . . . A 2 VAL HG22 . 17689 1 10 . 1 1 2 2 VAL HG23 H 1 0.930 0.020 . 2 . . . A 2 VAL HG23 . 17689 1 11 . 1 1 2 2 VAL N N 15 122.900 0.3 . 1 . . . A 2 VAL N . 17689 1 12 . 1 1 3 3 GLN H H 1 8.473 0.020 . 1 . . . A 3 GLN H . 17689 1 13 . 1 1 3 3 GLN HA H 1 4.320 0.020 . 1 . . . A 3 GLN HA . 17689 1 14 . 1 1 3 3 GLN HB2 H 1 2.083 0.020 . 2 . . . A 3 GLN HB2 . 17689 1 15 . 1 1 3 3 GLN HB3 H 1 1.983 0.020 . 2 . . . A 3 GLN HB3 . 17689 1 16 . 1 1 3 3 GLN HG2 H 1 2.341 0.020 . 2 . . . A 3 GLN HG2 . 17689 1 17 . 1 1 3 3 GLN HG3 H 1 2.334 0.020 . 2 . . . A 3 GLN HG3 . 17689 1 18 . 1 1 3 3 GLN HE21 H 1 6.811 0.020 . 1 . . . A 3 GLN HE21 . 17689 1 19 . 1 1 3 3 GLN HE22 H 1 7.493 0.020 . 1 . . . A 3 GLN HE22 . 17689 1 20 . 1 1 3 3 GLN N N 15 123.880 0.3 . 1 . . . A 3 GLN N . 17689 1 21 . 1 1 3 3 GLN NE2 N 15 112.150 0.3 . 1 . . . A 3 GLN NE2 . 17689 1 22 . 1 1 4 4 ASN H H 1 8.381 0.020 . 1 . . . A 4 ASN H . 17689 1 23 . 1 1 4 4 ASN HA H 1 4.650 0.020 . 1 . . . A 4 ASN HA . 17689 1 24 . 1 1 4 4 ASN HB2 H 1 2.730 0.020 . 2 . . . A 4 ASN HB2 . 17689 1 25 . 1 1 4 4 ASN HB3 H 1 2.684 0.020 . 2 . . . A 4 ASN HB3 . 17689 1 26 . 1 1 4 4 ASN HD21 H 1 6.842 0.020 . 1 . . . A 4 ASN HD21 . 17689 1 27 . 1 1 4 4 ASN HD22 H 1 7.531 0.020 . 1 . . . A 4 ASN HD22 . 17689 1 28 . 1 1 4 4 ASN N N 15 119.910 0.3 . 1 . . . A 4 ASN N . 17689 1 29 . 1 1 4 4 ASN ND2 N 15 112.610 0.3 . 1 . . . A 4 ASN ND2 . 17689 1 30 . 1 1 5 5 ASP H H 1 8.238 0.020 . 1 . . . A 5 ASP H . 17689 1 31 . 1 1 5 5 ASP HA H 1 4.568 0.020 . 1 . . . A 5 ASP HA . 17689 1 32 . 1 1 5 5 ASP HB2 H 1 2.645 0.020 . 2 . . . A 5 ASP HB2 . 17689 1 33 . 1 1 5 5 ASP HB3 H 1 2.544 0.020 . 2 . . . A 5 ASP HB3 . 17689 1 34 . 1 1 5 5 ASP N N 15 119.700 0.3 . 1 . . . A 5 ASP N . 17689 1 35 . 1 1 6 6 PHE H H 1 8.025 0.020 . 1 . . . A 6 PHE H . 17689 1 36 . 1 1 6 6 PHE HA H 1 4.663 0.020 . 1 . . . A 6 PHE HA . 17689 1 37 . 1 1 6 6 PHE HB2 H 1 3.205 0.020 . 2 . . . A 6 PHE HB2 . 17689 1 38 . 1 1 6 6 PHE HB3 H 1 3.029 0.020 . 2 . . . A 6 PHE HB3 . 17689 1 39 . 1 1 6 6 PHE HD2 H 1 7.256 0.020 . 1 . . . A 6 PHE HD2 . 17689 1 40 . 1 1 6 6 PHE HE2 H 1 7.368 0.020 . 1 . . . A 6 PHE HE2 . 17689 1 41 . 1 1 6 6 PHE HZ H 1 7.334 0.020 . 1 . . . A 6 PHE HZ . 17689 1 42 . 1 1 6 6 PHE N N 15 119.540 0.3 . 1 . . . A 6 PHE N . 17689 1 43 . 1 1 7 7 VAL H H 1 7.985 0.020 . 1 . . . A 7 VAL H . 17689 1 44 . 1 1 7 7 VAL HA H 1 4.158 0.020 . 1 . . . A 7 VAL HA . 17689 1 45 . 1 1 7 7 VAL HB H 1 2.082 0.020 . 1 . . . A 7 VAL HB . 17689 1 46 . 1 1 7 7 VAL HG11 H 1 0.941 0.020 . 2 . . . A 7 VAL HG11 . 17689 1 47 . 1 1 7 7 VAL HG12 H 1 0.941 0.020 . 2 . . . A 7 VAL HG12 . 17689 1 48 . 1 1 7 7 VAL HG13 H 1 0.941 0.020 . 2 . . . A 7 VAL HG13 . 17689 1 49 . 1 1 7 7 VAL HG21 H 1 0.917 0.020 . 2 . . . A 7 VAL HG21 . 17689 1 50 . 1 1 7 7 VAL HG22 H 1 0.917 0.020 . 2 . . . A 7 VAL HG22 . 17689 1 51 . 1 1 7 7 VAL HG23 H 1 0.917 0.020 . 2 . . . A 7 VAL HG23 . 17689 1 52 . 1 1 7 7 VAL N N 15 120.550 0.3 . 1 . . . A 7 VAL N . 17689 1 53 . 1 1 8 8 ASP H H 1 8.205 0.020 . 1 . . . A 8 ASP H . 17689 1 54 . 1 1 8 8 ASP HA H 1 4.623 0.020 . 1 . . . A 8 ASP HA . 17689 1 55 . 1 1 8 8 ASP HB2 H 1 2.753 0.020 . 2 . . . A 8 ASP HB2 . 17689 1 56 . 1 1 8 8 ASP HB3 H 1 2.481 0.020 . 2 . . . A 8 ASP HB3 . 17689 1 57 . 1 1 8 8 ASP N N 15 123.470 0.3 . 1 . . . A 8 ASP N . 17689 1 58 . 1 1 9 9 SER H H 1 8.337 0.020 . 1 . . . A 9 SER H . 17689 1 59 . 1 1 9 9 SER HA H 1 4.785 0.020 . 1 . . . A 9 SER HA . 17689 1 60 . 1 1 9 9 SER HB2 H 1 3.535 0.020 . 2 . . . A 9 SER HB2 . 17689 1 61 . 1 1 9 9 SER HB3 H 1 3.464 0.020 . 2 . . . A 9 SER HB3 . 17689 1 62 . 1 1 9 9 SER N N 15 116.500 0.3 . 1 . . . A 9 SER N . 17689 1 63 . 1 1 10 10 TYR H H 1 9.584 0.020 . 1 . . . A 10 TYR H . 17689 1 64 . 1 1 10 10 TYR HA H 1 5.053 0.020 . 1 . . . A 10 TYR HA . 17689 1 65 . 1 1 10 10 TYR HB2 H 1 2.539 0.020 . 2 . . . A 10 TYR HB2 . 17689 1 66 . 1 1 10 10 TYR HB3 H 1 2.504 0.020 . 2 . . . A 10 TYR HB3 . 17689 1 67 . 1 1 10 10 TYR HD2 H 1 6.800 0.020 . 1 . . . A 10 TYR HD2 . 17689 1 68 . 1 1 10 10 TYR HE2 H 1 6.663 0.020 . 1 . . . A 10 TYR HE2 . 17689 1 69 . 1 1 10 10 TYR N N 15 120.450 0.3 . 1 . . . A 10 TYR N . 17689 1 70 . 1 1 11 11 ASP H H 1 8.970 0.020 . 1 . . . A 11 ASP H . 17689 1 71 . 1 1 11 11 ASP HA H 1 5.533 0.020 . 1 . . . A 11 ASP HA . 17689 1 72 . 1 1 11 11 ASP HB2 H 1 2.874 0.020 . 2 . . . A 11 ASP HB2 . 17689 1 73 . 1 1 11 11 ASP HB3 H 1 2.682 0.020 . 2 . . . A 11 ASP HB3 . 17689 1 74 . 1 1 11 11 ASP N N 15 121.160 0.3 . 1 . . . A 11 ASP N . 17689 1 75 . 1 1 12 12 VAL H H 1 9.182 0.020 . 1 . . . A 12 VAL H . 17689 1 76 . 1 1 12 12 VAL HA H 1 5.293 0.020 . 1 . . . A 12 VAL HA . 17689 1 77 . 1 1 12 12 VAL HB H 1 2.117 0.020 . 1 . . . A 12 VAL HB . 17689 1 78 . 1 1 12 12 VAL HG11 H 1 1.080 0.020 . 2 . . . A 12 VAL HG11 . 17689 1 79 . 1 1 12 12 VAL HG12 H 1 1.080 0.020 . 2 . . . A 12 VAL HG12 . 17689 1 80 . 1 1 12 12 VAL HG13 H 1 1.080 0.020 . 2 . . . A 12 VAL HG13 . 17689 1 81 . 1 1 12 12 VAL HG21 H 1 1.018 0.020 . 2 . . . A 12 VAL HG21 . 17689 1 82 . 1 1 12 12 VAL HG22 H 1 1.018 0.020 . 2 . . . A 12 VAL HG22 . 17689 1 83 . 1 1 12 12 VAL HG23 H 1 1.018 0.020 . 2 . . . A 12 VAL HG23 . 17689 1 84 . 1 1 12 12 VAL N N 15 123.530 0.3 . 1 . . . A 12 VAL N . 17689 1 85 . 1 1 13 13 THR H H 1 9.172 0.020 . 1 . . . A 13 THR H . 17689 1 86 . 1 1 13 13 THR HA H 1 5.139 0.020 . 1 . . . A 13 THR HA . 17689 1 87 . 1 1 13 13 THR HB H 1 4.010 0.020 . 1 . . . A 13 THR HB . 17689 1 88 . 1 1 13 13 THR HG21 H 1 1.244 0.020 . 1 . . . A 13 THR HG21 . 17689 1 89 . 1 1 13 13 THR HG22 H 1 1.244 0.020 . 1 . . . A 13 THR HG22 . 17689 1 90 . 1 1 13 13 THR HG23 H 1 1.244 0.020 . 1 . . . A 13 THR HG23 . 17689 1 91 . 1 1 13 13 THR N N 15 124.760 0.3 . 1 . . . A 13 THR N . 17689 1 92 . 1 1 14 14 MET H H 1 9.172 0.020 . 1 . . . A 14 MET H . 17689 1 93 . 1 1 14 14 MET HA H 1 5.216 0.020 . 1 . . . A 14 MET HA . 17689 1 94 . 1 1 14 14 MET HB2 H 1 1.974 0.020 . 2 . . . A 14 MET HB2 . 17689 1 95 . 1 1 14 14 MET HB3 H 1 1.949 0.020 . 2 . . . A 14 MET HB3 . 17689 1 96 . 1 1 14 14 MET HG2 H 1 2.495 0.020 . 2 . . . A 14 MET HG2 . 17689 1 97 . 1 1 14 14 MET HG3 H 1 2.485 0.020 . 2 . . . A 14 MET HG3 . 17689 1 98 . 1 1 14 14 MET HE1 H 1 2.019 0.020 . 1 . . . A 14 MET HE1 . 17689 1 99 . 1 1 14 14 MET HE2 H 1 2.019 0.020 . 1 . . . A 14 MET HE2 . 17689 1 100 . 1 1 14 14 MET HE3 H 1 2.019 0.020 . 1 . . . A 14 MET HE3 . 17689 1 101 . 1 1 14 14 MET N N 15 124.600 0.3 . 1 . . . A 14 MET N . 17689 1 102 . 1 1 15 15 LEU H H 1 8.934 0.020 . 1 . . . A 15 LEU H . 17689 1 103 . 1 1 15 15 LEU HA H 1 4.441 0.020 . 1 . . . A 15 LEU HA . 17689 1 104 . 1 1 15 15 LEU HB2 H 1 0.900 0.020 . 2 . . . A 15 LEU HB2 . 17689 1 105 . 1 1 15 15 LEU HB3 H 1 0.890 0.020 . 2 . . . A 15 LEU HB3 . 17689 1 106 . 1 1 15 15 LEU HG H 1 0.880 0.020 . 1 . . . A 15 LEU HG . 17689 1 107 . 1 1 15 15 LEU HD11 H 1 0.652 0.020 . 2 . . . A 15 LEU HD11 . 17689 1 108 . 1 1 15 15 LEU HD12 H 1 0.652 0.020 . 2 . . . A 15 LEU HD12 . 17689 1 109 . 1 1 15 15 LEU HD13 H 1 0.652 0.020 . 2 . . . A 15 LEU HD13 . 17689 1 110 . 1 1 15 15 LEU HD21 H 1 0.000 0.020 . 2 . . . A 15 LEU HD21 . 17689 1 111 . 1 1 15 15 LEU HD22 H 1 0.000 0.020 . 2 . . . A 15 LEU HD22 . 17689 1 112 . 1 1 15 15 LEU HD23 H 1 0.000 0.020 . 2 . . . A 15 LEU HD23 . 17689 1 113 . 1 1 15 15 LEU N N 15 125.470 0.3 . 1 . . . A 15 LEU N . 17689 1 114 . 1 1 16 16 LEU H H 1 8.674 0.020 . 1 . . . A 16 LEU H . 17689 1 115 . 1 1 16 16 LEU HA H 1 5.185 0.020 . 1 . . . A 16 LEU HA . 17689 1 116 . 1 1 16 16 LEU HB2 H 1 1.187 0.020 . 2 . . . A 16 LEU HB2 . 17689 1 117 . 1 1 16 16 LEU HB3 H 1 1.178 0.020 . 2 . . . A 16 LEU HB3 . 17689 1 118 . 1 1 16 16 LEU HG H 1 1.167 0.020 . 1 . . . A 16 LEU HG . 17689 1 119 . 1 1 16 16 LEU HD11 H 1 0.777 0.020 . 2 . . . A 16 LEU HD11 . 17689 1 120 . 1 1 16 16 LEU HD12 H 1 0.777 0.020 . 2 . . . A 16 LEU HD12 . 17689 1 121 . 1 1 16 16 LEU HD13 H 1 0.777 0.020 . 2 . . . A 16 LEU HD13 . 17689 1 122 . 1 1 16 16 LEU HD21 H 1 0.700 0.020 . 2 . . . A 16 LEU HD21 . 17689 1 123 . 1 1 16 16 LEU HD22 H 1 0.700 0.020 . 2 . . . A 16 LEU HD22 . 17689 1 124 . 1 1 16 16 LEU HD23 H 1 0.700 0.020 . 2 . . . A 16 LEU HD23 . 17689 1 125 . 1 1 16 16 LEU N N 15 129.120 0.3 . 1 . . . A 16 LEU N . 17689 1 126 . 1 1 17 17 GLN H H 1 8.638 0.020 . 1 . . . A 17 GLN H . 17689 1 127 . 1 1 17 17 GLN HA H 1 5.312 0.020 . 1 . . . A 17 GLN HA . 17689 1 128 . 1 1 17 17 GLN HB2 H 1 1.933 0.020 . 2 . . . A 17 GLN HB2 . 17689 1 129 . 1 1 17 17 GLN HB3 H 1 1.707 0.020 . 2 . . . A 17 GLN HB3 . 17689 1 130 . 1 1 17 17 GLN HG2 H 1 2.610 0.020 . 2 . . . A 17 GLN HG2 . 17689 1 131 . 1 1 17 17 GLN HG3 H 1 1.822 0.020 . 2 . . . A 17 GLN HG3 . 17689 1 132 . 1 1 17 17 GLN HE21 H 1 6.622 0.020 . 1 . . . A 17 GLN HE21 . 17689 1 133 . 1 1 17 17 GLN HE22 H 1 7.805 0.020 . 1 . . . A 17 GLN HE22 . 17689 1 134 . 1 1 17 17 GLN N N 15 118.200 0.3 . 1 . . . A 17 GLN N . 17689 1 135 . 1 1 17 17 GLN NE2 N 15 112.350 0.3 . 1 . . . A 17 GLN NE2 . 17689 1 136 . 1 1 18 18 ASP H H 1 8.877 0.020 . 1 . . . A 18 ASP H . 17689 1 137 . 1 1 18 18 ASP HA H 1 4.808 0.020 . 1 . . . A 18 ASP HA . 17689 1 138 . 1 1 18 18 ASP HB2 H 1 3.504 0.020 . 2 . . . A 18 ASP HB2 . 17689 1 139 . 1 1 18 18 ASP HB3 H 1 2.805 0.020 . 2 . . . A 18 ASP HB3 . 17689 1 140 . 1 1 18 18 ASP N N 15 126.700 0.3 . 1 . . . A 18 ASP N . 17689 1 141 . 1 1 19 19 ASP H H 1 8.775 0.020 . 1 . . . A 19 ASP H . 17689 1 142 . 1 1 19 19 ASP HA H 1 4.454 0.020 . 1 . . . A 19 ASP HA . 17689 1 143 . 1 1 19 19 ASP HB2 H 1 2.809 0.020 . 2 . . . A 19 ASP HB2 . 17689 1 144 . 1 1 19 19 ASP HB3 H 1 2.757 0.020 . 2 . . . A 19 ASP HB3 . 17689 1 145 . 1 1 19 19 ASP N N 15 117.840 0.3 . 1 . . . A 19 ASP N . 17689 1 146 . 1 1 20 20 ASP H H 1 8.261 0.020 . 1 . . . A 20 ASP H . 17689 1 147 . 1 1 20 20 ASP HA H 1 4.841 0.020 . 1 . . . A 20 ASP HA . 17689 1 148 . 1 1 20 20 ASP HB2 H 1 2.876 0.020 . 2 . . . A 20 ASP HB2 . 17689 1 149 . 1 1 20 20 ASP HB3 H 1 2.754 0.020 . 2 . . . A 20 ASP HB3 . 17689 1 150 . 1 1 20 20 ASP N N 15 118.400 0.3 . 1 . . . A 20 ASP N . 17689 1 151 . 1 1 21 21 GLY H H 1 8.188 0.020 . 1 . . . A 21 GLY H . 17689 1 152 . 1 1 21 21 GLY HA2 H 1 4.282 0.020 . 2 . . . A 21 GLY HA2 . 17689 1 153 . 1 1 21 21 GLY HA3 H 1 3.532 0.020 . 2 . . . A 21 GLY HA3 . 17689 1 154 . 1 1 21 21 GLY N N 15 108.270 0.3 . 1 . . . A 21 GLY N . 17689 1 155 . 1 1 22 22 LYS H H 1 8.433 0.020 . 1 . . . A 22 LYS H . 17689 1 156 . 1 1 22 22 LYS HA H 1 4.305 0.020 . 1 . . . A 22 LYS HA . 17689 1 157 . 1 1 22 22 LYS HB2 H 1 1.995 0.020 . 2 . . . A 22 LYS HB2 . 17689 1 158 . 1 1 22 22 LYS HB3 H 1 1.920 0.020 . 2 . . . A 22 LYS HB3 . 17689 1 159 . 1 1 22 22 LYS HG2 H 1 1.515 0.020 . 2 . . . A 22 LYS HG2 . 17689 1 160 . 1 1 22 22 LYS HG3 H 1 1.324 0.020 . 2 . . . A 22 LYS HG3 . 17689 1 161 . 1 1 22 22 LYS HD2 H 1 1.733 0.020 . 2 . . . A 22 LYS HD2 . 17689 1 162 . 1 1 22 22 LYS HD3 H 1 1.689 0.020 . 2 . . . A 22 LYS HD3 . 17689 1 163 . 1 1 22 22 LYS HE2 H 1 3.000 0.020 . 1 . . . A 22 LYS HE2 . 17689 1 164 . 1 1 22 22 LYS HE3 H 1 3.000 0.020 . 1 . . . A 22 LYS HE3 . 17689 1 165 . 1 1 22 22 LYS N N 15 123.480 0.3 . 1 . . . A 22 LYS N . 17689 1 166 . 1 1 23 23 GLN H H 1 8.426 0.020 . 1 . . . A 23 GLN H . 17689 1 167 . 1 1 23 23 GLN HA H 1 5.710 0.020 . 1 . . . A 23 GLN HA . 17689 1 168 . 1 1 23 23 GLN HB2 H 1 1.881 0.020 . 2 . . . A 23 GLN HB2 . 17689 1 169 . 1 1 23 23 GLN HB3 H 1 1.746 0.020 . 2 . . . A 23 GLN HB3 . 17689 1 170 . 1 1 23 23 GLN HG2 H 1 2.530 0.020 . 2 . . . A 23 GLN HG2 . 17689 1 171 . 1 1 23 23 GLN HG3 H 1 2.061 0.020 . 2 . . . A 23 GLN HG3 . 17689 1 172 . 1 1 23 23 GLN HE21 H 1 6.643 0.020 . 1 . . . A 23 GLN HE21 . 17689 1 173 . 1 1 23 23 GLN HE22 H 1 7.511 0.020 . 1 . . . A 23 GLN HE22 . 17689 1 174 . 1 1 23 23 GLN N N 15 122.260 0.3 . 1 . . . A 23 GLN N . 17689 1 175 . 1 1 23 23 GLN NE2 N 15 108.660 0.3 . 1 . . . A 23 GLN NE2 . 17689 1 176 . 1 1 24 24 TYR H H 1 8.927 0.020 . 1 . . . A 24 TYR H . 17689 1 177 . 1 1 24 24 TYR HA H 1 4.904 0.020 . 1 . . . A 24 TYR HA . 17689 1 178 . 1 1 24 24 TYR HB2 H 1 2.978 0.020 . 2 . . . A 24 TYR HB2 . 17689 1 179 . 1 1 24 24 TYR HB3 H 1 2.956 0.020 . 2 . . . A 24 TYR HB3 . 17689 1 180 . 1 1 24 24 TYR HD2 H 1 6.833 0.020 . 1 . . . A 24 TYR HD2 . 17689 1 181 . 1 1 24 24 TYR HE2 H 1 6.674 0.020 . 1 . . . A 24 TYR HE2 . 17689 1 182 . 1 1 24 24 TYR N N 15 120.420 0.3 . 1 . . . A 24 TYR N . 17689 1 183 . 1 1 25 25 TYR H H 1 8.654 0.020 . 1 . . . A 25 TYR H . 17689 1 184 . 1 1 25 25 TYR HA H 1 5.384 0.020 . 1 . . . A 25 TYR HA . 17689 1 185 . 1 1 25 25 TYR HB2 H 1 2.800 0.020 . 2 . . . A 25 TYR HB2 . 17689 1 186 . 1 1 25 25 TYR HB3 H 1 2.479 0.020 . 2 . . . A 25 TYR HB3 . 17689 1 187 . 1 1 25 25 TYR HD1 H 1 6.960 0.020 . 1 . . . A 25 TYR HD1 . 17689 1 188 . 1 1 25 25 TYR HE1 H 1 6.694 0.020 . 1 . . . A 25 TYR HE1 . 17689 1 189 . 1 1 25 25 TYR N N 15 118.880 0.3 . 1 . . . A 25 TYR N . 17689 1 190 . 1 1 26 26 GLU H H 1 9.067 0.020 . 1 . . . A 26 GLU H . 17689 1 191 . 1 1 26 26 GLU HA H 1 4.620 0.020 . 1 . . . A 26 GLU HA . 17689 1 192 . 1 1 26 26 GLU HB2 H 1 1.970 0.020 . 2 . . . A 26 GLU HB2 . 17689 1 193 . 1 1 26 26 GLU HB3 H 1 1.944 0.020 . 2 . . . A 26 GLU HB3 . 17689 1 194 . 1 1 26 26 GLU HG2 H 1 2.408 0.020 . 2 . . . A 26 GLU HG2 . 17689 1 195 . 1 1 26 26 GLU HG3 H 1 2.241 0.020 . 2 . . . A 26 GLU HG3 . 17689 1 196 . 1 1 26 26 GLU N N 15 120.270 0.3 . 1 . . . A 26 GLU N . 17689 1 197 . 1 1 27 27 TYR H H 1 8.654 0.020 . 1 . . . A 27 TYR H . 17689 1 198 . 1 1 27 27 TYR HA H 1 5.419 0.020 . 1 . . . A 27 TYR HA . 17689 1 199 . 1 1 27 27 TYR HB2 H 1 2.960 0.020 . 2 . . . A 27 TYR HB2 . 17689 1 200 . 1 1 27 27 TYR HB3 H 1 2.832 0.020 . 2 . . . A 27 TYR HB3 . 17689 1 201 . 1 1 27 27 TYR HD1 H 1 7.214 0.020 . 1 . . . A 27 TYR HD1 . 17689 1 202 . 1 1 27 27 TYR HE1 H 1 6.677 0.020 . 1 . . . A 27 TYR HE1 . 17689 1 203 . 1 1 27 27 TYR N N 15 123.610 0.3 . 1 . . . A 27 TYR N . 17689 1 204 . 1 1 28 28 HIS H H 1 9.114 0.020 . 1 . . . A 28 HIS H . 17689 1 205 . 1 1 28 28 HIS HA H 1 4.858 0.020 . 1 . . . A 28 HIS HA . 17689 1 206 . 1 1 28 28 HIS HB2 H 1 3.216 0.020 . 2 . . . A 28 HIS HB2 . 17689 1 207 . 1 1 28 28 HIS HB3 H 1 2.954 0.020 . 2 . . . A 28 HIS HB3 . 17689 1 208 . 1 1 28 28 HIS HD2 H 1 6.803 0.020 . 1 . . . A 28 HIS HD2 . 17689 1 209 . 1 1 28 28 HIS HE1 H 1 8.570 0.020 . 1 . . . A 28 HIS HE1 . 17689 1 210 . 1 1 28 28 HIS N N 15 120.690 0.3 . 1 . . . A 28 HIS N . 17689 1 211 . 1 1 29 29 LYS H H 1 8.871 0.020 . 1 . . . A 29 LYS H . 17689 1 212 . 1 1 29 29 LYS HA H 1 4.961 0.020 . 1 . . . A 29 LYS HA . 17689 1 213 . 1 1 29 29 LYS HB2 H 1 1.836 0.020 . 2 . . . A 29 LYS HB2 . 17689 1 214 . 1 1 29 29 LYS HB3 H 1 1.721 0.020 . 2 . . . A 29 LYS HB3 . 17689 1 215 . 1 1 29 29 LYS HG2 H 1 1.443 0.020 . 2 . . . A 29 LYS HG2 . 17689 1 216 . 1 1 29 29 LYS HG3 H 1 1.289 0.020 . 2 . . . A 29 LYS HG3 . 17689 1 217 . 1 1 29 29 LYS HD2 H 1 1.716 0.020 . 2 . . . A 29 LYS HD2 . 17689 1 218 . 1 1 29 29 LYS HD3 H 1 1.668 0.020 . 2 . . . A 29 LYS HD3 . 17689 1 219 . 1 1 29 29 LYS HE2 H 1 2.953 0.020 . 2 . . . A 29 LYS HE2 . 17689 1 220 . 1 1 29 29 LYS HE3 H 1 2.950 0.020 . 2 . . . A 29 LYS HE3 . 17689 1 221 . 1 1 29 29 LYS N N 15 124.700 0.3 . 1 . . . A 29 LYS N . 17689 1 222 . 1 1 30 30 GLY H H 1 8.739 0.020 . 1 . . . A 30 GLY H . 17689 1 223 . 1 1 30 30 GLY HA2 H 1 3.839 0.020 . 2 . . . A 30 GLY HA2 . 17689 1 224 . 1 1 30 30 GLY HA3 H 1 3.634 0.020 . 2 . . . A 30 GLY HA3 . 17689 1 225 . 1 1 30 30 GLY N N 15 112.960 0.3 . 1 . . . A 30 GLY N . 17689 1 226 . 1 1 31 31 LEU H H 1 9.349 0.020 . 1 . . . A 31 LEU H . 17689 1 227 . 1 1 31 31 LEU HA H 1 4.782 0.020 . 1 . . . A 31 LEU HA . 17689 1 228 . 1 1 31 31 LEU HB2 H 1 1.971 0.020 . 2 . . . A 31 LEU HB2 . 17689 1 229 . 1 1 31 31 LEU HB3 H 1 1.717 0.020 . 2 . . . A 31 LEU HB3 . 17689 1 230 . 1 1 31 31 LEU HG H 1 1.819 0.020 . 1 . . . A 31 LEU HG . 17689 1 231 . 1 1 31 31 LEU HD11 H 1 0.869 0.020 . 2 . . . A 31 LEU HD11 . 17689 1 232 . 1 1 31 31 LEU HD12 H 1 0.869 0.020 . 2 . . . A 31 LEU HD12 . 17689 1 233 . 1 1 31 31 LEU HD13 H 1 0.869 0.020 . 2 . . . A 31 LEU HD13 . 17689 1 234 . 1 1 31 31 LEU HD21 H 1 0.857 0.020 . 2 . . . A 31 LEU HD21 . 17689 1 235 . 1 1 31 31 LEU HD22 H 1 0.857 0.020 . 2 . . . A 31 LEU HD22 . 17689 1 236 . 1 1 31 31 LEU HD23 H 1 0.857 0.020 . 2 . . . A 31 LEU HD23 . 17689 1 237 . 1 1 31 31 LEU N N 15 122.260 0.3 . 1 . . . A 31 LEU N . 17689 1 238 . 1 1 32 32 SER H H 1 8.993 0.020 . 1 . . . A 32 SER H . 17689 1 239 . 1 1 32 32 SER HA H 1 5.053 0.020 . 1 . . . A 32 SER HA . 17689 1 240 . 1 1 32 32 SER HB2 H 1 4.480 0.020 . 2 . . . A 32 SER HB2 . 17689 1 241 . 1 1 32 32 SER HB3 H 1 4.113 0.020 . 2 . . . A 32 SER HB3 . 17689 1 242 . 1 1 32 32 SER N N 15 117.760 0.3 . 1 . . . A 32 SER N . 17689 1 243 . 1 1 33 33 LEU H H 1 9.582 0.020 . 1 . . . A 33 LEU H . 17689 1 244 . 1 1 33 33 LEU HA H 1 4.101 0.020 . 1 . . . A 33 LEU HA . 17689 1 245 . 1 1 33 33 LEU HB2 H 1 1.784 0.020 . 2 . . . A 33 LEU HB2 . 17689 1 246 . 1 1 33 33 LEU HB3 H 1 1.785 0.020 . 2 . . . A 33 LEU HB3 . 17689 1 247 . 1 1 33 33 LEU HG H 1 1.770 0.020 . 1 . . . A 33 LEU HG . 17689 1 248 . 1 1 33 33 LEU HD11 H 1 0.783 0.020 . 2 . . . A 33 LEU HD11 . 17689 1 249 . 1 1 33 33 LEU HD12 H 1 0.783 0.020 . 2 . . . A 33 LEU HD12 . 17689 1 250 . 1 1 33 33 LEU HD13 H 1 0.783 0.020 . 2 . . . A 33 LEU HD13 . 17689 1 251 . 1 1 33 33 LEU HD21 H 1 0.469 0.020 . 2 . . . A 33 LEU HD21 . 17689 1 252 . 1 1 33 33 LEU HD22 H 1 0.469 0.020 . 2 . . . A 33 LEU HD22 . 17689 1 253 . 1 1 33 33 LEU HD23 H 1 0.469 0.020 . 2 . . . A 33 LEU HD23 . 17689 1 254 . 1 1 33 33 LEU N N 15 122.480 0.3 . 1 . . . A 33 LEU N . 17689 1 255 . 1 1 34 34 SER H H 1 8.324 0.020 . 1 . . . A 34 SER H . 17689 1 256 . 1 1 34 34 SER HA H 1 4.210 0.020 . 1 . . . A 34 SER HA . 17689 1 257 . 1 1 34 34 SER HB2 H 1 4.111 0.020 . 2 . . . A 34 SER HB2 . 17689 1 258 . 1 1 34 34 SER HB3 H 1 3.877 0.020 . 2 . . . A 34 SER HB3 . 17689 1 259 . 1 1 34 34 SER N N 15 113.790 0.3 . 1 . . . A 34 SER N . 17689 1 260 . 1 1 35 35 ASP H H 1 7.938 0.020 . 1 . . . A 35 ASP H . 17689 1 261 . 1 1 35 35 ASP HA H 1 4.443 0.020 . 1 . . . A 35 ASP HA . 17689 1 262 . 1 1 35 35 ASP HB2 H 1 3.137 0.020 . 2 . . . A 35 ASP HB2 . 17689 1 263 . 1 1 35 35 ASP HB3 H 1 2.686 0.020 . 2 . . . A 35 ASP HB3 . 17689 1 264 . 1 1 35 35 ASP N N 15 121.960 0.3 . 1 . . . A 35 ASP N . 17689 1 265 . 1 1 36 36 PHE H H 1 8.649 0.020 . 1 . . . A 36 PHE H . 17689 1 266 . 1 1 36 36 PHE HA H 1 4.100 0.020 . 1 . . . A 36 PHE HA . 17689 1 267 . 1 1 36 36 PHE HB2 H 1 3.391 0.020 . 2 . . . A 36 PHE HB2 . 17689 1 268 . 1 1 36 36 PHE HB3 H 1 2.904 0.020 . 2 . . . A 36 PHE HB3 . 17689 1 269 . 1 1 36 36 PHE HD2 H 1 7.037 0.020 . 1 . . . A 36 PHE HD2 . 17689 1 270 . 1 1 36 36 PHE HE2 H 1 6.724 0.020 . 1 . . . A 36 PHE HE2 . 17689 1 271 . 1 1 36 36 PHE HZ H 1 6.636 0.020 . 1 . . . A 36 PHE HZ . 17689 1 272 . 1 1 36 36 PHE N N 15 122.350 0.3 . 1 . . . A 36 PHE N . 17689 1 273 . 1 1 37 37 GLU H H 1 8.169 0.020 . 1 . . . A 37 GLU H . 17689 1 274 . 1 1 37 37 GLU HA H 1 3.288 0.020 . 1 . . . A 37 GLU HA . 17689 1 275 . 1 1 37 37 GLU HB2 H 1 2.227 0.020 . 2 . . . A 37 GLU HB2 . 17689 1 276 . 1 1 37 37 GLU HB3 H 1 2.012 0.020 . 2 . . . A 37 GLU HB3 . 17689 1 277 . 1 1 37 37 GLU HG2 H 1 2.586 0.020 . 2 . . . A 37 GLU HG2 . 17689 1 278 . 1 1 37 37 GLU HG3 H 1 2.283 0.020 . 2 . . . A 37 GLU HG3 . 17689 1 279 . 1 1 37 37 GLU N N 15 120.010 0.3 . 1 . . . A 37 GLU N . 17689 1 280 . 1 1 38 38 VAL H H 1 7.404 0.020 . 1 . . . A 38 VAL H . 17689 1 281 . 1 1 38 38 VAL HA H 1 3.562 0.020 . 1 . . . A 38 VAL HA . 17689 1 282 . 1 1 38 38 VAL HB H 1 2.064 0.020 . 1 . . . A 38 VAL HB . 17689 1 283 . 1 1 38 38 VAL HG11 H 1 1.054 0.020 . 2 . . . A 38 VAL HG11 . 17689 1 284 . 1 1 38 38 VAL HG12 H 1 1.054 0.020 . 2 . . . A 38 VAL HG12 . 17689 1 285 . 1 1 38 38 VAL HG13 H 1 1.054 0.020 . 2 . . . A 38 VAL HG13 . 17689 1 286 . 1 1 38 38 VAL HG21 H 1 0.872 0.020 . 2 . . . A 38 VAL HG21 . 17689 1 287 . 1 1 38 38 VAL HG22 H 1 0.872 0.020 . 2 . . . A 38 VAL HG22 . 17689 1 288 . 1 1 38 38 VAL HG23 H 1 0.872 0.020 . 2 . . . A 38 VAL HG23 . 17689 1 289 . 1 1 38 38 VAL N N 15 119.850 0.3 . 1 . . . A 38 VAL N . 17689 1 290 . 1 1 39 39 LEU H H 1 7.593 0.020 . 1 . . . A 39 LEU H . 17689 1 291 . 1 1 39 39 LEU HA H 1 3.958 0.020 . 1 . . . A 39 LEU HA . 17689 1 292 . 1 1 39 39 LEU HB2 H 1 1.712 0.020 . 2 . . . A 39 LEU HB2 . 17689 1 293 . 1 1 39 39 LEU HB3 H 1 1.438 0.020 . 2 . . . A 39 LEU HB3 . 17689 1 294 . 1 1 39 39 LEU HG H 1 1.244 0.020 . 1 . . . A 39 LEU HG . 17689 1 295 . 1 1 39 39 LEU HD11 H 1 0.526 0.020 . 2 . . . A 39 LEU HD11 . 17689 1 296 . 1 1 39 39 LEU HD12 H 1 0.526 0.020 . 2 . . . A 39 LEU HD12 . 17689 1 297 . 1 1 39 39 LEU HD13 H 1 0.526 0.020 . 2 . . . A 39 LEU HD13 . 17689 1 298 . 1 1 39 39 LEU HD21 H 1 0.524 0.020 . 2 . . . A 39 LEU HD21 . 17689 1 299 . 1 1 39 39 LEU HD22 H 1 0.524 0.020 . 2 . . . A 39 LEU HD22 . 17689 1 300 . 1 1 39 39 LEU HD23 H 1 0.524 0.020 . 2 . . . A 39 LEU HD23 . 17689 1 301 . 1 1 39 39 LEU N N 15 121.490 0.3 . 1 . . . A 39 LEU N . 17689 1 302 . 1 1 40 40 TYR H H 1 8.743 0.020 . 1 . . . A 40 TYR H . 17689 1 303 . 1 1 40 40 TYR HA H 1 3.647 0.020 . 1 . . . A 40 TYR HA . 17689 1 304 . 1 1 40 40 TYR HB2 H 1 2.309 0.020 . 2 . . . A 40 TYR HB2 . 17689 1 305 . 1 1 40 40 TYR HB3 H 1 2.193 0.020 . 2 . . . A 40 TYR HB3 . 17689 1 306 . 1 1 40 40 TYR HD2 H 1 6.526 0.020 . 1 . . . A 40 TYR HD2 . 17689 1 307 . 1 1 40 40 TYR HE2 H 1 6.473 0.020 . 1 . . . A 40 TYR HE2 . 17689 1 308 . 1 1 40 40 TYR N N 15 120.440 0.3 . 1 . . . A 40 TYR N . 17689 1 309 . 1 1 41 41 GLY H H 1 7.678 0.020 . 1 . . . A 41 GLY H . 17689 1 310 . 1 1 41 41 GLY HA2 H 1 3.754 0.020 . 2 . . . A 41 GLY HA2 . 17689 1 311 . 1 1 41 41 GLY HA3 H 1 3.657 0.020 . 2 . . . A 41 GLY HA3 . 17689 1 312 . 1 1 41 41 GLY N N 15 105.790 0.3 . 1 . . . A 41 GLY N . 17689 1 313 . 1 1 42 42 ASN H H 1 7.370 0.020 . 1 . . . A 42 ASN H . 17689 1 314 . 1 1 42 42 ASN HA H 1 4.790 0.020 . 1 . . . A 42 ASN HA . 17689 1 315 . 1 1 42 42 ASN HB2 H 1 2.900 0.020 . 2 . . . A 42 ASN HB2 . 17689 1 316 . 1 1 42 42 ASN HB3 H 1 2.670 0.020 . 2 . . . A 42 ASN HB3 . 17689 1 317 . 1 1 42 42 ASN HD21 H 1 6.804 0.020 . 1 . . . A 42 ASN HD21 . 17689 1 318 . 1 1 42 42 ASN HD22 H 1 7.562 0.020 . 1 . . . A 42 ASN HD22 . 17689 1 319 . 1 1 42 42 ASN N N 15 116.630 0.3 . 1 . . . A 42 ASN N . 17689 1 320 . 1 1 42 42 ASN ND2 N 15 112.880 0.3 . 1 . . . A 42 ASN ND2 . 17689 1 321 . 1 1 43 43 THR H H 1 7.271 0.020 . 1 . . . A 43 THR H . 17689 1 322 . 1 1 43 43 THR HA H 1 4.052 0.020 . 1 . . . A 43 THR HA . 17689 1 323 . 1 1 43 43 THR HB H 1 4.023 0.020 . 1 . . . A 43 THR HB . 17689 1 324 . 1 1 43 43 THR HG21 H 1 1.154 0.020 . 1 . . . A 43 THR HG21 . 17689 1 325 . 1 1 43 43 THR HG22 H 1 1.154 0.020 . 1 . . . A 43 THR HG22 . 17689 1 326 . 1 1 43 43 THR HG23 H 1 1.154 0.020 . 1 . . . A 43 THR HG23 . 17689 1 327 . 1 1 43 43 THR N N 15 117.900 0.3 . 1 . . . A 43 THR N . 17689 1 328 . 1 1 44 44 ALA H H 1 8.500 0.020 . 1 . . . A 44 ALA H . 17689 1 329 . 1 1 44 44 ALA HA H 1 4.303 0.020 . 1 . . . A 44 ALA HA . 17689 1 330 . 1 1 44 44 ALA HB1 H 1 1.364 0.020 . 1 . . . A 44 ALA HB1 . 17689 1 331 . 1 1 44 44 ALA HB2 H 1 1.364 0.020 . 1 . . . A 44 ALA HB2 . 17689 1 332 . 1 1 44 44 ALA HB3 H 1 1.364 0.020 . 1 . . . A 44 ALA HB3 . 17689 1 333 . 1 1 45 45 ASP H H 1 7.403 0.020 . 1 . . . A 45 ASP H . 17689 1 334 . 1 1 45 45 ASP HA H 1 4.877 0.020 . 1 . . . A 45 ASP HA . 17689 1 335 . 1 1 45 45 ASP HB2 H 1 2.752 0.020 . 2 . . . A 45 ASP HB2 . 17689 1 336 . 1 1 45 45 ASP HB3 H 1 2.384 0.020 . 2 . . . A 45 ASP HB3 . 17689 1 337 . 1 1 45 45 ASP N N 15 117.770 0.3 . 1 . . . A 45 ASP N . 17689 1 338 . 1 1 46 46 GLU H H 1 7.704 0.020 . 1 . . . A 46 GLU H . 17689 1 339 . 1 1 46 46 GLU HA H 1 4.068 0.020 . 1 . . . A 46 GLU HA . 17689 1 340 . 1 1 46 46 GLU HB2 H 1 2.021 0.020 . 2 . . . A 46 GLU HB2 . 17689 1 341 . 1 1 46 46 GLU HB3 H 1 1.853 0.020 . 2 . . . A 46 GLU HB3 . 17689 1 342 . 1 1 46 46 GLU HG2 H 1 2.320 0.020 . 2 . . . A 46 GLU HG2 . 17689 1 343 . 1 1 46 46 GLU HG3 H 1 2.074 0.020 . 2 . . . A 46 GLU HG3 . 17689 1 344 . 1 1 46 46 GLU N N 15 118.810 0.3 . 1 . . . A 46 GLU N . 17689 1 345 . 1 1 47 47 ILE H H 1 8.530 0.020 . 1 . . . A 47 ILE H . 17689 1 346 . 1 1 47 47 ILE HA H 1 3.890 0.020 . 1 . . . A 47 ILE HA . 17689 1 347 . 1 1 47 47 ILE HB H 1 1.677 0.020 . 1 . . . A 47 ILE HB . 17689 1 348 . 1 1 47 47 ILE HG12 H 1 1.673 0.020 . 2 . . . A 47 ILE HG12 . 17689 1 349 . 1 1 47 47 ILE HG13 H 1 1.662 0.020 . 2 . . . A 47 ILE HG13 . 17689 1 350 . 1 1 47 47 ILE HG21 H 1 0.782 0.020 . 1 . . . A 47 ILE HG21 . 17689 1 351 . 1 1 47 47 ILE HG22 H 1 0.782 0.020 . 1 . . . A 47 ILE HG22 . 17689 1 352 . 1 1 47 47 ILE HG23 H 1 0.782 0.020 . 1 . . . A 47 ILE HG23 . 17689 1 353 . 1 1 47 47 ILE HD11 H 1 0.621 0.020 . 1 . . . A 47 ILE HD11 . 17689 1 354 . 1 1 47 47 ILE HD12 H 1 0.621 0.020 . 1 . . . A 47 ILE HD12 . 17689 1 355 . 1 1 47 47 ILE HD13 H 1 0.621 0.020 . 1 . . . A 47 ILE HD13 . 17689 1 356 . 1 1 48 48 ILE H H 1 9.177 0.020 . 1 . . . A 48 ILE H . 17689 1 357 . 1 1 48 48 ILE HA H 1 4.322 0.020 . 1 . . . A 48 ILE HA . 17689 1 358 . 1 1 48 48 ILE HB H 1 1.777 0.020 . 1 . . . A 48 ILE HB . 17689 1 359 . 1 1 48 48 ILE HG12 H 1 1.387 0.020 . 2 . . . A 48 ILE HG12 . 17689 1 360 . 1 1 48 48 ILE HG13 H 1 1.049 0.020 . 2 . . . A 48 ILE HG13 . 17689 1 361 . 1 1 48 48 ILE HG21 H 1 0.934 0.020 . 1 . . . A 48 ILE HG21 . 17689 1 362 . 1 1 48 48 ILE HG22 H 1 0.934 0.020 . 1 . . . A 48 ILE HG22 . 17689 1 363 . 1 1 48 48 ILE HG23 H 1 0.934 0.020 . 1 . . . A 48 ILE HG23 . 17689 1 364 . 1 1 48 48 ILE HD11 H 1 0.480 0.020 . 1 . . . A 48 ILE HD11 . 17689 1 365 . 1 1 48 48 ILE HD12 H 1 0.480 0.020 . 1 . . . A 48 ILE HD12 . 17689 1 366 . 1 1 48 48 ILE HD13 H 1 0.480 0.020 . 1 . . . A 48 ILE HD13 . 17689 1 367 . 1 1 48 48 ILE N N 15 129.130 0.3 . 1 . . . A 48 ILE N . 17689 1 368 . 1 1 49 49 LYS H H 1 7.964 0.020 . 1 . . . A 49 LYS H . 17689 1 369 . 1 1 49 49 LYS HA H 1 5.314 0.020 . 1 . . . A 49 LYS HA . 17689 1 370 . 1 1 49 49 LYS HB2 H 1 1.844 0.020 . 2 . . . A 49 LYS HB2 . 17689 1 371 . 1 1 49 49 LYS HB3 H 1 1.843 0.020 . 2 . . . A 49 LYS HB3 . 17689 1 372 . 1 1 49 49 LYS HG2 H 1 1.622 0.020 . 2 . . . A 49 LYS HG2 . 17689 1 373 . 1 1 49 49 LYS HG3 H 1 1.404 0.020 . 2 . . . A 49 LYS HG3 . 17689 1 374 . 1 1 49 49 LYS HD2 H 1 1.763 0.020 . 2 . . . A 49 LYS HD2 . 17689 1 375 . 1 1 49 49 LYS HD3 H 1 1.744 0.020 . 2 . . . A 49 LYS HD3 . 17689 1 376 . 1 1 49 49 LYS HE2 H 1 3.059 0.020 . 2 . . . A 49 LYS HE2 . 17689 1 377 . 1 1 49 49 LYS HE3 H 1 2.937 0.020 . 2 . . . A 49 LYS HE3 . 17689 1 378 . 1 1 49 49 LYS N N 15 115.080 0.3 . 1 . . . A 49 LYS N . 17689 1 379 . 1 1 50 50 LEU H H 1 9.012 0.020 . 1 . . . A 50 LEU H . 17689 1 380 . 1 1 50 50 LEU HA H 1 5.213 0.020 . 1 . . . A 50 LEU HA . 17689 1 381 . 1 1 50 50 LEU HB2 H 1 1.584 0.020 . 2 . . . A 50 LEU HB2 . 17689 1 382 . 1 1 50 50 LEU HB3 H 1 1.559 0.020 . 2 . . . A 50 LEU HB3 . 17689 1 383 . 1 1 50 50 LEU HG H 1 1.564 0.020 . 1 . . . A 50 LEU HG . 17689 1 384 . 1 1 50 50 LEU HD11 H 1 0.984 0.020 . 2 . . . A 50 LEU HD11 . 17689 1 385 . 1 1 50 50 LEU HD12 H 1 0.984 0.020 . 2 . . . A 50 LEU HD12 . 17689 1 386 . 1 1 50 50 LEU HD13 H 1 0.984 0.020 . 2 . . . A 50 LEU HD13 . 17689 1 387 . 1 1 50 50 LEU HD21 H 1 0.750 0.020 . 2 . . . A 50 LEU HD21 . 17689 1 388 . 1 1 50 50 LEU HD22 H 1 0.750 0.020 . 2 . . . A 50 LEU HD22 . 17689 1 389 . 1 1 50 50 LEU HD23 H 1 0.750 0.020 . 2 . . . A 50 LEU HD23 . 17689 1 390 . 1 1 50 50 LEU N N 15 122.010 0.3 . 1 . . . A 50 LEU N . 17689 1 391 . 1 1 51 51 ARG H H 1 9.503 0.020 . 1 . . . A 51 ARG H . 17689 1 392 . 1 1 51 51 ARG HA H 1 5.211 0.020 . 1 . . . A 51 ARG HA . 17689 1 393 . 1 1 51 51 ARG HB2 H 1 2.088 0.020 . 2 . . . A 51 ARG HB2 . 17689 1 394 . 1 1 51 51 ARG HB3 H 1 1.951 0.020 . 2 . . . A 51 ARG HB3 . 17689 1 395 . 1 1 51 51 ARG HG2 H 1 1.794 0.020 . 2 . . . A 51 ARG HG2 . 17689 1 396 . 1 1 51 51 ARG HG3 H 1 1.657 0.020 . 2 . . . A 51 ARG HG3 . 17689 1 397 . 1 1 51 51 ARG HD2 H 1 3.259 0.020 . 2 . . . A 51 ARG HD2 . 17689 1 398 . 1 1 51 51 ARG HD3 H 1 3.252 0.020 . 2 . . . A 51 ARG HD3 . 17689 1 399 . 1 1 51 51 ARG N N 15 127.740 0.3 . 1 . . . A 51 ARG N . 17689 1 400 . 1 1 52 52 LEU H H 1 8.658 0.020 . 1 . . . A 52 LEU H . 17689 1 401 . 1 1 52 52 LEU HA H 1 5.173 0.020 . 1 . . . A 52 LEU HA . 17689 1 402 . 1 1 52 52 LEU HB2 H 1 1.465 0.020 . 2 . . . A 52 LEU HB2 . 17689 1 403 . 1 1 52 52 LEU HB3 H 1 1.458 0.020 . 2 . . . A 52 LEU HB3 . 17689 1 404 . 1 1 52 52 LEU HG H 1 1.100 0.020 . 1 . . . A 52 LEU HG . 17689 1 405 . 1 1 52 52 LEU HD11 H 1 -0.002 0.020 . 2 . . . A 52 LEU HD11 . 17689 1 406 . 1 1 52 52 LEU HD12 H 1 -0.002 0.020 . 2 . . . A 52 LEU HD12 . 17689 1 407 . 1 1 52 52 LEU HD13 H 1 -0.002 0.020 . 2 . . . A 52 LEU HD13 . 17689 1 408 . 1 1 52 52 LEU HD21 H 1 -0.040 0.020 . 2 . . . A 52 LEU HD21 . 17689 1 409 . 1 1 52 52 LEU HD22 H 1 -0.040 0.020 . 2 . . . A 52 LEU HD22 . 17689 1 410 . 1 1 52 52 LEU HD23 H 1 -0.040 0.020 . 2 . . . A 52 LEU HD23 . 17689 1 411 . 1 1 52 52 LEU N N 15 124.920 0.3 . 1 . . . A 52 LEU N . 17689 1 412 . 1 1 53 53 ASP H H 1 8.773 0.020 . 1 . . . A 53 ASP H . 17689 1 413 . 1 1 53 53 ASP HA H 1 5.448 0.020 . 1 . . . A 53 ASP HA . 17689 1 414 . 1 1 53 53 ASP HB2 H 1 2.603 0.020 . 2 . . . A 53 ASP HB2 . 17689 1 415 . 1 1 53 53 ASP HB3 H 1 2.580 0.020 . 2 . . . A 53 ASP HB3 . 17689 1 416 . 1 1 53 53 ASP N N 15 124.020 0.3 . 1 . . . A 53 ASP N . 17689 1 417 . 1 1 54 54 LYS H H 1 8.762 0.020 . 1 . . . A 54 LYS H . 17689 1 418 . 1 1 54 54 LYS HA H 1 3.793 0.020 . 1 . . . A 54 LYS HA . 17689 1 419 . 1 1 54 54 LYS HB2 H 1 2.013 0.020 . 2 . . . A 54 LYS HB2 . 17689 1 420 . 1 1 54 54 LYS HB3 H 1 1.668 0.020 . 2 . . . A 54 LYS HB3 . 17689 1 421 . 1 1 54 54 LYS HG2 H 1 1.133 0.020 . 2 . . . A 54 LYS HG2 . 17689 1 422 . 1 1 54 54 LYS HG3 H 1 1.127 0.020 . 2 . . . A 54 LYS HG3 . 17689 1 423 . 1 1 54 54 LYS HD2 H 1 1.604 0.020 . 2 . . . A 54 LYS HD2 . 17689 1 424 . 1 1 54 54 LYS HD3 H 1 1.407 0.020 . 2 . . . A 54 LYS HD3 . 17689 1 425 . 1 1 54 54 LYS HE2 H 1 2.864 0.020 . 2 . . . A 54 LYS HE2 . 17689 1 426 . 1 1 54 54 LYS HE3 H 1 2.779 0.020 . 2 . . . A 54 LYS HE3 . 17689 1 427 . 1 1 54 54 LYS N N 15 126.280 0.3 . 1 . . . A 54 LYS N . 17689 1 428 . 1 1 55 55 VAL H H 1 8.630 0.020 . 1 . . . A 55 VAL H . 17689 1 429 . 1 1 55 55 VAL HA H 1 3.900 0.020 . 1 . . . A 55 VAL HA . 17689 1 430 . 1 1 55 55 VAL HB H 1 1.848 0.020 . 1 . . . A 55 VAL HB . 17689 1 431 . 1 1 55 55 VAL HG11 H 1 0.873 0.020 . 2 . . . A 55 VAL HG11 . 17689 1 432 . 1 1 55 55 VAL HG12 H 1 0.873 0.020 . 2 . . . A 55 VAL HG12 . 17689 1 433 . 1 1 55 55 VAL HG13 H 1 0.873 0.020 . 2 . . . A 55 VAL HG13 . 17689 1 434 . 1 1 55 55 VAL HG21 H 1 0.784 0.020 . 2 . . . A 55 VAL HG21 . 17689 1 435 . 1 1 55 55 VAL HG22 H 1 0.784 0.020 . 2 . . . A 55 VAL HG22 . 17689 1 436 . 1 1 55 55 VAL HG23 H 1 0.784 0.020 . 2 . . . A 55 VAL HG23 . 17689 1 437 . 1 1 55 55 VAL N N 15 128.630 0.3 . 1 . . . A 55 VAL N . 17689 1 438 . 1 1 56 56 LEU H H 1 7.819 0.020 . 1 . . . A 56 LEU H . 17689 1 439 . 1 1 56 56 LEU HA H 1 4.204 0.020 . 1 . . . A 56 LEU HA . 17689 1 440 . 1 1 56 56 LEU HB2 H 1 1.571 0.020 . 2 . . . A 56 LEU HB2 . 17689 1 441 . 1 1 56 56 LEU HB3 H 1 1.574 0.020 . 2 . . . A 56 LEU HB3 . 17689 1 442 . 1 1 56 56 LEU HG H 1 1.563 0.020 . 1 . . . A 56 LEU HG . 17689 1 443 . 1 1 56 56 LEU HD11 H 1 0.884 0.020 . 2 . . . A 56 LEU HD11 . 17689 1 444 . 1 1 56 56 LEU HD12 H 1 0.884 0.020 . 2 . . . A 56 LEU HD12 . 17689 1 445 . 1 1 56 56 LEU HD13 H 1 0.884 0.020 . 2 . . . A 56 LEU HD13 . 17689 1 446 . 1 1 56 56 LEU HD21 H 1 0.804 0.020 . 2 . . . A 56 LEU HD21 . 17689 1 447 . 1 1 56 56 LEU HD22 H 1 0.804 0.020 . 2 . . . A 56 LEU HD22 . 17689 1 448 . 1 1 56 56 LEU HD23 H 1 0.804 0.020 . 2 . . . A 56 LEU HD23 . 17689 1 449 . 1 1 56 56 LEU N N 15 132.860 0.3 . 1 . . . A 56 LEU N . 17689 1 stop_ save_