################################### # 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 16172 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16172 1 2 '2D 1H-13C HSQC' . . . 16172 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 VAL HA H 1 3.450 0.002 . 1 . . . . 3 VAL HA . 16172 1 2 . 1 1 1 1 VAL HB H 1 2.100 0.002 . 1 . . . . 3 VAL HB . 16172 1 3 . 1 1 2 2 ILE H H 1 6.420 0.002 . 1 . . . . 4 ILE HN . 16172 1 4 . 1 1 2 2 ILE HA H 1 4.170 0.002 . 1 . . . . 4 ILE HA . 16172 1 5 . 1 1 2 2 ILE HB H 1 1.610 0.002 . 1 . . . . 4 ILE HB . 16172 1 6 . 1 1 2 2 ILE HD11 H 1 0.430 0.002 . 1 . . . . 4 ILE HD1# . 16172 1 7 . 1 1 2 2 ILE HD12 H 1 0.430 0.002 . 1 . . . . 4 ILE HD1# . 16172 1 8 . 1 1 2 2 ILE HD13 H 1 0.430 0.002 . 1 . . . . 4 ILE HD1# . 16172 1 9 . 1 1 2 2 ILE HG21 H 1 0.820 0.002 . 1 . . . . 4 ILE HG2# . 16172 1 10 . 1 1 2 2 ILE HG22 H 1 0.820 0.002 . 1 . . . . 4 ILE HG2# . 16172 1 11 . 1 1 2 2 ILE HG23 H 1 0.820 0.002 . 1 . . . . 4 ILE HG2# . 16172 1 12 . 1 1 3 3 ASN H H 1 8.810 0.002 . 1 . . . . 5 ASN HN . 16172 1 13 . 1 1 3 3 ASN HA H 1 4.820 0.002 . 1 . . . . 5 ASN HA . 16172 1 14 . 1 1 4 4 THR H H 1 8.060 0.002 . 1 . . . . 6 THR HN . 16172 1 15 . 1 1 4 4 THR HG21 H 1 1.160 0.002 . 1 . . . . 6 THR HG2# . 16172 1 16 . 1 1 4 4 THR HG22 H 1 1.160 0.002 . 1 . . . . 6 THR HG2# . 16172 1 17 . 1 1 4 4 THR HG23 H 1 1.160 0.002 . 1 . . . . 6 THR HG2# . 16172 1 18 . 1 1 5 5 PHE H H 1 7.950 0.002 . 1 . . . . 7 PHE HN . 16172 1 19 . 1 1 5 5 PHE HA H 1 4.750 0.002 . 1 . . . . 7 PHE HA . 16172 1 20 . 1 1 6 6 ASP H H 1 8.820 0.002 . 1 . . . . 8 ASP HN . 16172 1 21 . 1 1 7 7 GLY H H 1 7.880 0.002 . 1 . . . . 9 GLY HN . 16172 1 22 . 1 1 8 8 VAL H H 1 8.920 0.002 . 1 . . . . 10 VAL HN . 16172 1 23 . 1 1 8 8 VAL HA H 1 3.900 0.002 . 1 . . . . 10 VAL HA . 16172 1 24 . 1 1 8 8 VAL HB H 1 2.450 0.002 . 1 . . . . 10 VAL HB . 16172 1 25 . 1 1 8 8 VAL HG11 H 1 0.700 0.002 . 2 . . . . 10 VAL HG1# . 16172 1 26 . 1 1 8 8 VAL HG12 H 1 0.700 0.002 . 2 . . . . 10 VAL HG1# . 16172 1 27 . 1 1 8 8 VAL HG13 H 1 0.700 0.002 . 2 . . . . 10 VAL HG1# . 16172 1 28 . 1 1 8 8 VAL HG21 H 1 0.760 0.002 . 2 . . . . 10 VAL HG2# . 16172 1 29 . 1 1 8 8 VAL HG22 H 1 0.760 0.002 . 2 . . . . 10 VAL HG2# . 16172 1 30 . 1 1 8 8 VAL HG23 H 1 0.760 0.002 . 2 . . . . 10 VAL HG2# . 16172 1 31 . 1 1 9 9 ALA H H 1 8.500 0.002 . 1 . . . . 11 ALA HN . 16172 1 32 . 1 1 9 9 ALA HA H 1 4.060 0.002 . 1 . . . . 11 ALA HA . 16172 1 33 . 1 1 9 9 ALA HB1 H 1 1.570 0.002 . 1 . . . . 11 ALA HB# . 16172 1 34 . 1 1 9 9 ALA HB2 H 1 1.570 0.002 . 1 . . . . 11 ALA HB# . 16172 1 35 . 1 1 9 9 ALA HB3 H 1 1.570 0.002 . 1 . . . . 11 ALA HB# . 16172 1 36 . 1 1 10 10 ASP H H 1 9.090 0.002 . 1 . . . . 12 ASP HN . 16172 1 37 . 1 1 11 11 TYR H H 1 8.150 0.002 . 1 . . . . 13 TYR HN . 16172 1 38 . 1 1 11 11 TYR HA H 1 4.980 0.002 . 1 . . . . 13 TYR HA . 16172 1 39 . 1 1 12 12 LEU H H 1 8.310 0.002 . 1 . . . . 14 LEU HN . 16172 1 40 . 1 1 12 12 LEU HA H 1 3.760 0.002 . 1 . . . . 14 LEU HA . 16172 1 41 . 1 1 12 12 LEU HD11 H 1 0.300 0.002 . 2 . . . . 14 LEU HD1# . 16172 1 42 . 1 1 12 12 LEU HD12 H 1 0.300 0.002 . 2 . . . . 14 LEU HD1# . 16172 1 43 . 1 1 12 12 LEU HD13 H 1 0.300 0.002 . 2 . . . . 14 LEU HD1# . 16172 1 44 . 1 1 12 12 LEU HD21 H 1 0.110 0.002 . 2 . . . . 14 LEU HD2# . 16172 1 45 . 1 1 12 12 LEU HD22 H 1 0.110 0.002 . 2 . . . . 14 LEU HD2# . 16172 1 46 . 1 1 12 12 LEU HD23 H 1 0.110 0.002 . 2 . . . . 14 LEU HD2# . 16172 1 47 . 1 1 12 12 LEU HG H 1 1.550 0.002 . 1 . . . . 14 LEU HG . 16172 1 48 . 1 1 13 13 GLN H H 1 9.270 0.002 . 1 . . . . 15 GLN HN . 16172 1 49 . 1 1 13 13 GLN HA H 1 3.860 0.002 . 1 . . . . 15 GLN HA . 16172 1 50 . 1 1 13 13 GLN HB2 H 1 1.930 0.002 . 2 . . . . 15 GLN HB1 . 16172 1 51 . 1 1 13 13 GLN HB3 H 1 2.280 0.002 . 2 . . . . 15 GLN HB2 . 16172 1 52 . 1 1 13 13 GLN HG2 H 1 2.390 0.002 . 2 . . . . 15 GLN HG1 . 16172 1 53 . 1 1 13 13 GLN HG3 H 1 2.730 0.002 . 2 . . . . 15 GLN HG2 . 16172 1 54 . 1 1 14 14 THR H H 1 7.600 0.002 . 1 . . . . 16 THR HN . 16172 1 55 . 1 1 14 14 THR HA H 1 3.910 0.002 . 1 . . . . 16 THR HA . 16172 1 56 . 1 1 14 14 THR HB H 1 3.470 0.002 . 1 . . . . 16 THR HB . 16172 1 57 . 1 1 14 14 THR HG21 H 1 0.460 0.002 . 1 . . . . 16 THR HG2# . 16172 1 58 . 1 1 14 14 THR HG22 H 1 0.460 0.002 . 1 . . . . 16 THR HG2# . 16172 1 59 . 1 1 14 14 THR HG23 H 1 0.460 0.002 . 1 . . . . 16 THR HG2# . 16172 1 60 . 1 1 15 15 TYR H H 1 8.390 0.002 . 1 . . . . 17 TYR HN . 16172 1 61 . 1 1 15 15 TYR HA H 1 5.010 0.002 . 1 . . . . 17 TYR HA . 16172 1 62 . 1 1 16 16 HIS H H 1 7.480 0.002 . 1 . . . . 18 HIS HN . 16172 1 63 . 1 1 17 17 LYS H H 1 7.060 0.002 . 1 . . . . 19 LYS HN . 16172 1 64 . 1 1 17 17 LYS HA H 1 4.430 0.002 . 1 . . . . 19 LYS HA . 16172 1 65 . 1 1 17 17 LYS HD2 H 1 1.720 0.002 . 2 . . . . 19 LYS HD1 . 16172 1 66 . 1 1 17 17 LYS HD3 H 1 1.780 0.002 . 2 . . . . 19 LYS HD2 . 16172 1 67 . 1 1 17 17 LYS HE2 H 1 3.030 0.002 . 2 . . . . 19 LYS HE1 . 16172 1 68 . 1 1 17 17 LYS HE3 H 1 2.950 0.002 . 2 . . . . 19 LYS HE2 . 16172 1 69 . 1 1 18 18 LEU H H 1 8.440 0.002 . 1 . . . . 20 LEU HN . 16172 1 70 . 1 1 18 18 LEU HD11 H 1 1.090 0.002 . 2 . . . . 20 LEU HD1# . 16172 1 71 . 1 1 18 18 LEU HD12 H 1 1.090 0.002 . 2 . . . . 20 LEU HD1# . 16172 1 72 . 1 1 18 18 LEU HD13 H 1 1.090 0.002 . 2 . . . . 20 LEU HD1# . 16172 1 73 . 1 1 18 18 LEU HD21 H 1 0.370 0.002 . 2 . . . . 20 LEU HD2# . 16172 1 74 . 1 1 18 18 LEU HD22 H 1 0.370 0.002 . 2 . . . . 20 LEU HD2# . 16172 1 75 . 1 1 18 18 LEU HD23 H 1 0.370 0.002 . 2 . . . . 20 LEU HD2# . 16172 1 76 . 1 1 19 19 PRO HB2 H 1 1.770 0.002 . 2 . . . . 21 PRO HB1 . 16172 1 77 . 1 1 19 19 PRO HB3 H 1 2.230 0.002 . 2 . . . . 21 PRO HB2 . 16172 1 78 . 1 1 20 20 ASP H H 1 7.900 0.002 . 1 . . . . 22 ASP HN . 16172 1 79 . 1 1 21 21 ASN H H 1 9.440 0.002 . 1 . . . . 23 ASN HN . 16172 1 80 . 1 1 22 22 TYR H H 1 8.770 0.002 . 1 . . . . 24 TYR HN . 16172 1 81 . 1 1 23 23 ILE H H 1 8.660 0.002 . 1 . . . . 25 ILE HN . 16172 1 82 . 1 1 23 23 ILE HB H 1 1.680 0.002 . 1 . . . . 25 ILE HB . 16172 1 83 . 1 1 23 23 ILE HD11 H 1 0.420 0.002 . 1 . . . . 25 ILE HD1# . 16172 1 84 . 1 1 23 23 ILE HD12 H 1 0.420 0.002 . 1 . . . . 25 ILE HD1# . 16172 1 85 . 1 1 23 23 ILE HD13 H 1 0.420 0.002 . 1 . . . . 25 ILE HD1# . 16172 1 86 . 1 1 23 23 ILE HG21 H 1 0.820 0.002 . 1 . . . . 25 ILE HG2# . 16172 1 87 . 1 1 23 23 ILE HG22 H 1 0.820 0.002 . 1 . . . . 25 ILE HG2# . 16172 1 88 . 1 1 23 23 ILE HG23 H 1 0.820 0.002 . 1 . . . . 25 ILE HG2# . 16172 1 89 . 1 1 24 24 THR H H 1 8.920 0.002 . 1 . . . . 26 THR HN . 16172 1 90 . 1 1 24 24 THR HA H 1 3.920 0.002 . 1 . . . . 26 THR HA . 16172 1 91 . 1 1 24 24 THR HG21 H 1 1.140 0.002 . 1 . . . . 26 THR HG2# . 16172 1 92 . 1 1 24 24 THR HG22 H 1 1.140 0.002 . 1 . . . . 26 THR HG2# . 16172 1 93 . 1 1 24 24 THR HG23 H 1 1.140 0.002 . 1 . . . . 26 THR HG2# . 16172 1 94 . 1 1 25 25 LYS H H 1 8.940 0.002 . 1 . . . . 27 LYS HN . 16172 1 95 . 1 1 25 25 LYS HA H 1 4.060 0.002 . 1 . . . . 27 LYS HA . 16172 1 96 . 1 1 25 25 LYS HD2 H 1 1.660 0.002 . 2 . . . . 27 LYS HD1 . 16172 1 97 . 1 1 25 25 LYS HD3 H 1 1.670 0.002 . 2 . . . . 27 LYS HD2 . 16172 1 98 . 1 1 25 25 LYS HE2 H 1 3.160 0.002 . 2 . . . . 27 LYS HE1 . 16172 1 99 . 1 1 25 25 LYS HE3 H 1 2.860 0.002 . 2 . . . . 27 LYS HE2 . 16172 1 100 . 1 1 26 26 SER H H 1 8.310 0.002 . 1 . . . . 28 SER HN . 16172 1 101 . 1 1 26 26 SER HA H 1 4.040 0.002 . 1 . . . . 28 SER HA . 16172 1 102 . 1 1 27 27 GLU H H 1 8.040 0.002 . 1 . . . . 29 GLU HN . 16172 1 103 . 1 1 27 27 GLU HA H 1 3.920 0.002 . 1 . . . . 29 GLU HA . 16172 1 104 . 1 1 27 27 GLU HG2 H 1 2.490 0.002 . 2 . . . . 29 GLU HG1 . 16172 1 105 . 1 1 27 27 GLU HG3 H 1 2.480 0.002 . 2 . . . . 29 GLU HG2 . 16172 1 106 . 1 1 28 28 ALA H H 1 8.400 0.002 . 1 . . . . 30 ALA HN . 16172 1 107 . 1 1 28 28 ALA HA H 1 3.860 0.002 . 1 . . . . 30 ALA HA . 16172 1 108 . 1 1 28 28 ALA HB1 H 1 1.260 0.002 . 1 . . . . 30 ALA HB# . 16172 1 109 . 1 1 28 28 ALA HB2 H 1 1.260 0.002 . 1 . . . . 30 ALA HB# . 16172 1 110 . 1 1 28 28 ALA HB3 H 1 1.260 0.002 . 1 . . . . 30 ALA HB# . 16172 1 111 . 1 1 29 29 GLN H H 1 9.320 0.002 . 1 . . . . 31 GLN HN . 16172 1 112 . 1 1 29 29 GLN HG2 H 1 2.910 0.002 . 2 . . . . 31 GLN HG1 . 16172 1 113 . 1 1 29 29 GLN HG3 H 1 2.600 0.002 . 2 . . . . 31 GLN HG2 . 16172 1 114 . 1 1 30 30 ALA H H 1 9.310 0.002 . 1 . . . . 32 ALA HN . 16172 1 115 . 1 1 30 30 ALA HA H 1 4.110 0.002 . 1 . . . . 32 ALA HA . 16172 1 116 . 1 1 30 30 ALA HB1 H 1 1.470 0.002 . 1 . . . . 32 ALA HB# . 16172 1 117 . 1 1 30 30 ALA HB2 H 1 1.470 0.002 . 1 . . . . 32 ALA HB# . 16172 1 118 . 1 1 30 30 ALA HB3 H 1 1.470 0.002 . 1 . . . . 32 ALA HB# . 16172 1 119 . 1 1 31 31 LEU H H 1 8.460 0.002 . 1 . . . . 33 LEU HN . 16172 1 120 . 1 1 31 31 LEU HA H 1 4.180 0.002 . 1 . . . . 33 LEU HA . 16172 1 121 . 1 1 31 31 LEU HD11 H 1 0.900 0.002 . 2 . . . . 33 LEU HD1# . 16172 1 122 . 1 1 31 31 LEU HD12 H 1 0.900 0.002 . 2 . . . . 33 LEU HD1# . 16172 1 123 . 1 1 31 31 LEU HD13 H 1 0.900 0.002 . 2 . . . . 33 LEU HD1# . 16172 1 124 . 1 1 31 31 LEU HD21 H 1 0.600 0.002 . 2 . . . . 33 LEU HD2# . 16172 1 125 . 1 1 31 31 LEU HD22 H 1 0.600 0.002 . 2 . . . . 33 LEU HD2# . 16172 1 126 . 1 1 31 31 LEU HD23 H 1 0.600 0.002 . 2 . . . . 33 LEU HD2# . 16172 1 127 . 1 1 31 31 LEU HG H 1 1.580 0.002 . 1 . . . . 33 LEU HG . 16172 1 128 . 1 1 32 32 GLY H H 1 7.520 0.002 . 1 . . . . 34 GLY HN . 16172 1 129 . 1 1 33 33 TRP H H 1 8.750 0.002 . 1 . . . . 35 TRP HN . 16172 1 130 . 1 1 34 34 VAL H H 1 8.860 0.002 . 1 . . . . 36 VAL HN . 16172 1 131 . 1 1 34 34 VAL HA H 1 4.120 0.002 . 1 . . . . 36 VAL HA . 16172 1 132 . 1 1 34 34 VAL HB H 1 2.160 0.002 . 1 . . . . 36 VAL HB . 16172 1 133 . 1 1 35 35 ALA H H 1 8.130 0.002 . 1 . . . . 37 ALA HN . 16172 1 134 . 1 1 35 35 ALA HB1 H 1 1.410 0.002 . 1 . . . . 37 ALA HB# . 16172 1 135 . 1 1 35 35 ALA HB2 H 1 1.410 0.002 . 1 . . . . 37 ALA HB# . 16172 1 136 . 1 1 35 35 ALA HB3 H 1 1.410 0.002 . 1 . . . . 37 ALA HB# . 16172 1 137 . 1 1 36 36 SER HB2 H 1 3.870 0.002 . 2 . . . . 38 SER HB1 . 16172 1 138 . 1 1 36 36 SER HB3 H 1 3.950 0.002 . 2 . . . . 38 SER HB2 . 16172 1 139 . 1 1 37 37 LYS H H 1 7.620 0.002 . 1 . . . . 39 LYS HN . 16172 1 140 . 1 1 38 38 GLY H H 1 9.530 0.002 . 1 . . . . 40 GLY HN . 16172 1 141 . 1 1 39 39 ASN H H 1 8.490 0.002 . 1 . . . . 41 ASN HN . 16172 1 142 . 1 1 40 40 LEU HA H 1 4.030 0.002 . 1 . . . . 42 LEU HA . 16172 1 143 . 1 1 40 40 LEU HD11 H 1 0.330 0.002 . 2 . . . . 42 LEU HD1# . 16172 1 144 . 1 1 40 40 LEU HD12 H 1 0.330 0.002 . 2 . . . . 42 LEU HD1# . 16172 1 145 . 1 1 40 40 LEU HD13 H 1 0.330 0.002 . 2 . . . . 42 LEU HD1# . 16172 1 146 . 1 1 40 40 LEU HD21 H 1 0.440 0.002 . 2 . . . . 42 LEU HD2# . 16172 1 147 . 1 1 40 40 LEU HD22 H 1 0.440 0.002 . 2 . . . . 42 LEU HD2# . 16172 1 148 . 1 1 40 40 LEU HD23 H 1 0.440 0.002 . 2 . . . . 42 LEU HD2# . 16172 1 149 . 1 1 41 41 ALA H H 1 8.720 0.002 . 1 . . . . 43 ALA HN . 16172 1 150 . 1 1 41 41 ALA HA H 1 4.170 0.002 . 1 . . . . 43 ALA HA . 16172 1 151 . 1 1 41 41 ALA HB1 H 1 1.520 0.002 . 1 . . . . 43 ALA HB# . 16172 1 152 . 1 1 41 41 ALA HB2 H 1 1.520 0.002 . 1 . . . . 43 ALA HB# . 16172 1 153 . 1 1 41 41 ALA HB3 H 1 1.520 0.002 . 1 . . . . 43 ALA HB# . 16172 1 154 . 1 1 42 42 ASP H H 1 7.500 0.002 . 1 . . . . 44 ASP HN . 16172 1 155 . 1 1 42 42 ASP HB2 H 1 2.960 0.002 . 2 . . . . 44 ASP HB1 . 16172 1 156 . 1 1 42 42 ASP HB3 H 1 2.890 0.002 . 2 . . . . 44 ASP HB2 . 16172 1 157 . 1 1 43 43 VAL H H 1 7.810 0.002 . 1 . . . . 45 VAL HN . 16172 1 158 . 1 1 43 43 VAL HB H 1 2.120 0.002 . 1 . . . . 45 VAL HB . 16172 1 159 . 1 1 43 43 VAL HG11 H 1 0.930 0.002 . 2 . . . . 45 VAL HG1# . 16172 1 160 . 1 1 43 43 VAL HG12 H 1 0.930 0.002 . 2 . . . . 45 VAL HG1# . 16172 1 161 . 1 1 43 43 VAL HG13 H 1 0.930 0.002 . 2 . . . . 45 VAL HG1# . 16172 1 162 . 1 1 43 43 VAL HG21 H 1 0.720 0.002 . 2 . . . . 45 VAL HG2# . 16172 1 163 . 1 1 43 43 VAL HG22 H 1 0.720 0.002 . 2 . . . . 45 VAL HG2# . 16172 1 164 . 1 1 43 43 VAL HG23 H 1 0.720 0.002 . 2 . . . . 45 VAL HG2# . 16172 1 165 . 1 1 44 44 ALA H H 1 8.180 0.002 . 1 . . . . 46 ALA HN . 16172 1 166 . 1 1 44 44 ALA HB1 H 1 1.080 0.002 . 1 . . . . 46 ALA HB# . 16172 1 167 . 1 1 44 44 ALA HB2 H 1 1.080 0.002 . 1 . . . . 46 ALA HB# . 16172 1 168 . 1 1 44 44 ALA HB3 H 1 1.080 0.002 . 1 . . . . 46 ALA HB# . 16172 1 169 . 1 1 45 45 PRO HD2 H 1 3.450 0.002 . 2 . . . . 47 PRO HD1 . 16172 1 170 . 1 1 45 45 PRO HD3 H 1 3.610 0.002 . 2 . . . . 47 PRO HD2 . 16172 1 171 . 1 1 45 45 PRO HG2 H 1 2.500 0.002 . 2 . . . . 47 PRO HG1 . 16172 1 172 . 1 1 45 45 PRO HG3 H 1 2.090 0.002 . 2 . . . . 47 PRO HG2 . 16172 1 173 . 1 1 46 46 GLY H H 1 8.940 0.002 . 1 . . . . 48 GLY HN . 16172 1 174 . 1 1 47 47 LYS H H 1 8.840 0.002 . 1 . . . . 49 LYS HN . 16172 1 175 . 1 1 47 47 LYS HA H 1 4.590 0.002 . 1 . . . . 49 LYS HA . 16172 1 176 . 1 1 47 47 LYS HE2 H 1 2.710 0.002 . 2 . . . . 49 LYS HE1 . 16172 1 177 . 1 1 47 47 LYS HE3 H 1 2.470 0.002 . 2 . . . . 49 LYS HE2 . 16172 1 178 . 1 1 48 48 SER H H 1 8.490 0.002 . 1 . . . . 50 SER HN . 16172 1 179 . 1 1 49 49 ILE H H 1 7.770 0.002 . 1 . . . . 51 ILE HN . 16172 1 180 . 1 1 49 49 ILE HB H 1 1.550 0.002 . 1 . . . . 51 ILE HB . 16172 1 181 . 1 1 49 49 ILE HD11 H 1 -0.090 0.002 . 1 . . . . 51 ILE HD1# . 16172 1 182 . 1 1 49 49 ILE HD12 H 1 -0.090 0.002 . 1 . . . . 51 ILE HD1# . 16172 1 183 . 1 1 49 49 ILE HD13 H 1 -0.090 0.002 . 1 . . . . 51 ILE HD1# . 16172 1 184 . 1 1 49 49 ILE HG21 H 1 0.490 0.002 . 1 . . . . 51 ILE HG2# . 16172 1 185 . 1 1 49 49 ILE HG22 H 1 0.490 0.002 . 1 . . . . 51 ILE HG2# . 16172 1 186 . 1 1 49 49 ILE HG23 H 1 0.490 0.002 . 1 . . . . 51 ILE HG2# . 16172 1 187 . 1 1 50 50 GLY H H 1 9.540 0.002 . 1 . . . . 52 GLY HN . 16172 1 188 . 1 1 51 51 GLY H H 1 9.280 0.002 . 1 . . . . 53 GLY HN . 16172 1 189 . 1 1 52 52 ASP H H 1 8.400 0.002 . 1 . . . . 54 ASP HN . 16172 1 190 . 1 1 53 53 ILE H H 1 8.640 0.002 . 1 . . . . 55 ILE HN . 16172 1 191 . 1 1 53 53 ILE HB H 1 2.010 0.002 . 1 . . . . 55 ILE HB . 16172 1 192 . 1 1 53 53 ILE HD11 H 1 0.860 0.002 . 1 . . . . 55 ILE HD1# . 16172 1 193 . 1 1 53 53 ILE HD12 H 1 0.860 0.002 . 1 . . . . 55 ILE HD1# . 16172 1 194 . 1 1 53 53 ILE HD13 H 1 0.860 0.002 . 1 . . . . 55 ILE HD1# . 16172 1 195 . 1 1 53 53 ILE HG12 H 1 1.140 0.002 . 2 . . . . 55 ILE HG11 . 16172 1 196 . 1 1 53 53 ILE HG13 H 1 0.940 0.002 . 2 . . . . 55 ILE HG12 . 16172 1 197 . 1 1 53 53 ILE HG21 H 1 0.820 0.002 . 1 . . . . 55 ILE HG2# . 16172 1 198 . 1 1 53 53 ILE HG22 H 1 0.820 0.002 . 1 . . . . 55 ILE HG2# . 16172 1 199 . 1 1 53 53 ILE HG23 H 1 0.820 0.002 . 1 . . . . 55 ILE HG2# . 16172 1 200 . 1 1 54 54 PHE H H 1 8.900 0.002 . 1 . . . . 56 PHE HN . 16172 1 201 . 1 1 55 55 SER HA H 1 4.890 0.002 . 1 . . . . 57 SER HA . 16172 1 202 . 1 1 56 56 ASN HA H 1 4.940 0.002 . 1 . . . . 58 ASN HA . 16172 1 203 . 1 1 57 57 ARG HB2 H 1 1.740 0.002 . 2 . . . . 59 ARG HB1 . 16172 1 204 . 1 1 57 57 ARG HB3 H 1 1.860 0.002 . 2 . . . . 59 ARG HB2 . 16172 1 205 . 1 1 59 59 GLY H H 1 6.990 0.002 . 1 . . . . 61 GLY HN . 16172 1 206 . 1 1 60 60 LYS H H 1 7.930 0.002 . 1 . . . . 62 LYS HN . 16172 1 207 . 1 1 60 60 LYS HA H 1 3.940 0.002 . 1 . . . . 62 LYS HA . 16172 1 208 . 1 1 61 61 LEU H H 1 7.210 0.002 . 1 . . . . 63 LEU HN . 16172 1 209 . 1 1 61 61 LEU HA H 1 3.470 0.002 . 1 . . . . 63 LEU HA . 16172 1 210 . 1 1 61 61 LEU HD11 H 1 -0.160 0.002 . 2 . . . . 63 LEU HD1# . 16172 1 211 . 1 1 61 61 LEU HD12 H 1 -0.160 0.002 . 2 . . . . 63 LEU HD1# . 16172 1 212 . 1 1 61 61 LEU HD13 H 1 -0.160 0.002 . 2 . . . . 63 LEU HD1# . 16172 1 213 . 1 1 61 61 LEU HD21 H 1 -0.420 0.002 . 2 . . . . 63 LEU HD2# . 16172 1 214 . 1 1 61 61 LEU HD22 H 1 -0.420 0.002 . 2 . . . . 63 LEU HD2# . 16172 1 215 . 1 1 61 61 LEU HD23 H 1 -0.420 0.002 . 2 . . . . 63 LEU HD2# . 16172 1 216 . 1 1 61 61 LEU HG H 1 -0.220 0.002 . 1 . . . . 63 LEU HG . 16172 1 217 . 1 1 62 62 PRO HB2 H 1 2.360 0.002 . 2 . . . . 64 PRO HB1 . 16172 1 218 . 1 1 62 62 PRO HB3 H 1 2.570 0.002 . 2 . . . . 64 PRO HB2 . 16172 1 219 . 1 1 62 62 PRO HD2 H 1 3.040 0.002 . 2 . . . . 64 PRO HD1 . 16172 1 220 . 1 1 62 62 PRO HD3 H 1 2.860 0.002 . 2 . . . . 64 PRO HD2 . 16172 1 221 . 1 1 62 62 PRO HG2 H 1 1.810 0.002 . 1 . . . . 64 PRO HG1 . 16172 1 222 . 1 1 62 62 PRO HG3 H 1 1.810 0.002 . 1 . . . . 64 PRO HG2 . 16172 1 223 . 1 1 64 64 LYS HB2 H 1 1.890 0.002 . 2 . . . . 66 LYS HB1 . 16172 1 224 . 1 1 64 64 LYS HB3 H 1 1.940 0.002 . 2 . . . . 66 LYS HB2 . 16172 1 225 . 1 1 67 67 ARG H H 1 8.350 0.002 . 1 . . . . 69 ARG HN . 16172 1 226 . 1 1 68 68 THR H H 1 8.180 0.002 . 1 . . . . 70 THR HN . 16172 1 227 . 1 1 68 68 THR HG21 H 1 0.910 0.002 . 1 . . . . 70 THR HG2# . 16172 1 228 . 1 1 68 68 THR HG22 H 1 0.910 0.002 . 1 . . . . 70 THR HG2# . 16172 1 229 . 1 1 68 68 THR HG23 H 1 0.910 0.002 . 1 . . . . 70 THR HG2# . 16172 1 230 . 1 1 69 69 TRP H H 1 8.900 0.002 . 1 . . . . 71 TRP HN . 16172 1 231 . 1 1 70 70 ARG H H 1 8.660 0.002 . 1 . . . . 72 ARG HN . 16172 1 232 . 1 1 70 70 ARG HB2 H 1 1.930 0.002 . 2 . . . . 72 ARG HB1 . 16172 1 233 . 1 1 70 70 ARG HB3 H 1 0.350 0.002 . 2 . . . . 72 ARG HB2 . 16172 1 234 . 1 1 71 71 GLU H H 1 8.580 0.002 . 1 . . . . 73 GLU HN . 16172 1 235 . 1 1 71 71 GLU HA H 1 5.370 0.002 . 1 . . . . 73 GLU HA . 16172 1 236 . 1 1 72 72 ALA H H 1 8.960 0.002 . 1 . . . . 74 ALA HN . 16172 1 237 . 1 1 72 72 ALA HA H 1 4.780 0.002 . 1 . . . . 74 ALA HA . 16172 1 238 . 1 1 72 72 ALA HB1 H 1 0.740 0.002 . 1 . . . . 74 ALA HB# . 16172 1 239 . 1 1 72 72 ALA HB2 H 1 0.740 0.002 . 1 . . . . 74 ALA HB# . 16172 1 240 . 1 1 72 72 ALA HB3 H 1 0.740 0.002 . 1 . . . . 74 ALA HB# . 16172 1 241 . 1 1 73 73 ASP H H 1 9.680 0.002 . 1 . . . . 75 ASP HN . 16172 1 242 . 1 1 74 74 ILE H H 1 8.570 0.002 . 1 . . . . 76 ILE HN . 16172 1 243 . 1 1 74 74 ILE HD11 H 1 0.000 0.002 . 1 . . . . 76 ILE HD1# . 16172 1 244 . 1 1 74 74 ILE HD12 H 1 0.000 0.002 . 1 . . . . 76 ILE HD1# . 16172 1 245 . 1 1 74 74 ILE HD13 H 1 0.000 0.002 . 1 . . . . 76 ILE HD1# . 16172 1 246 . 1 1 74 74 ILE HG21 H 1 -0.790 0.002 . 1 . . . . 76 ILE HG2# . 16172 1 247 . 1 1 74 74 ILE HG22 H 1 -0.790 0.002 . 1 . . . . 76 ILE HG2# . 16172 1 248 . 1 1 74 74 ILE HG23 H 1 -0.790 0.002 . 1 . . . . 76 ILE HG2# . 16172 1 249 . 1 1 75 75 ASN HA H 1 4.560 0.002 . 1 . . . . 77 ASN HA . 16172 1 250 . 1 1 76 76 TYR HA H 1 5.380 0.002 . 1 . . . . 78 TYR HA . 16172 1 251 . 1 1 77 77 THR H H 1 6.750 0.002 . 1 . . . . 79 THR HN . 16172 1 252 . 1 1 77 77 THR HA H 1 3.950 0.002 . 1 . . . . 79 THR HA . 16172 1 253 . 1 1 77 77 THR HG21 H 1 0.670 0.002 . 1 . . . . 79 THR HG2# . 16172 1 254 . 1 1 77 77 THR HG22 H 1 0.670 0.002 . 1 . . . . 79 THR HG2# . 16172 1 255 . 1 1 77 77 THR HG23 H 1 0.670 0.002 . 1 . . . . 79 THR HG2# . 16172 1 256 . 1 1 78 78 SER H H 1 7.930 0.002 . 1 . . . . 80 SER HN . 16172 1 257 . 1 1 78 78 SER HB2 H 1 3.470 0.002 . 2 . . . . 80 SER HB1 . 16172 1 258 . 1 1 78 78 SER HB3 H 1 3.940 0.002 . 2 . . . . 80 SER HB2 . 16172 1 259 . 1 1 79 79 GLY H H 1 8.920 0.002 . 1 . . . . 81 GLY HN . 16172 1 260 . 1 1 80 80 PHE H H 1 8.700 0.002 . 1 . . . . 82 PHE HN . 16172 1 261 . 1 1 82 82 ASN H H 1 8.930 0.002 . 1 . . . . 84 ASN HN . 16172 1 262 . 1 1 82 82 ASN HA H 1 4.770 0.002 . 1 . . . . 84 ASN HA . 16172 1 263 . 1 1 83 83 SER HB2 H 1 3.610 0.002 . 2 . . . . 85 SER HB1 . 16172 1 264 . 1 1 83 83 SER HB3 H 1 3.530 0.002 . 2 . . . . 85 SER HB2 . 16172 1 265 . 1 1 84 84 ASP H H 1 7.730 0.002 . 1 . . . . 86 ASP HN . 16172 1 266 . 1 1 84 84 ASP HA H 1 5.240 0.002 . 1 . . . . 86 ASP HA . 16172 1 267 . 1 1 85 85 ARG H H 1 9.770 0.002 . 1 . . . . 87 ARG HN . 16172 1 268 . 1 1 86 86 ILE H H 1 9.020 0.002 . 1 . . . . 88 ILE HN . 16172 1 269 . 1 1 86 86 ILE HA H 1 5.270 0.002 . 1 . . . . 88 ILE HA . 16172 1 270 . 1 1 86 86 ILE HB H 1 1.890 0.002 . 1 . . . . 88 ILE HB . 16172 1 271 . 1 1 86 86 ILE HD11 H 1 0.820 0.002 . 1 . . . . 88 ILE HD1# . 16172 1 272 . 1 1 86 86 ILE HD12 H 1 0.820 0.002 . 1 . . . . 88 ILE HD1# . 16172 1 273 . 1 1 86 86 ILE HD13 H 1 0.820 0.002 . 1 . . . . 88 ILE HD1# . 16172 1 274 . 1 1 86 86 ILE HG21 H 1 0.970 0.002 . 1 . . . . 88 ILE HG2# . 16172 1 275 . 1 1 86 86 ILE HG22 H 1 0.970 0.002 . 1 . . . . 88 ILE HG2# . 16172 1 276 . 1 1 86 86 ILE HG23 H 1 0.970 0.002 . 1 . . . . 88 ILE HG2# . 16172 1 277 . 1 1 87 87 LEU H H 1 9.550 0.002 . 1 . . . . 89 LEU HN . 16172 1 278 . 1 1 87 87 LEU HA H 1 5.440 0.002 . 1 . . . . 89 LEU HA . 16172 1 279 . 1 1 87 87 LEU HD11 H 1 0.690 0.002 . 2 . . . . 89 LEU HD1# . 16172 1 280 . 1 1 87 87 LEU HD12 H 1 0.690 0.002 . 2 . . . . 89 LEU HD1# . 16172 1 281 . 1 1 87 87 LEU HD13 H 1 0.690 0.002 . 2 . . . . 89 LEU HD1# . 16172 1 282 . 1 1 87 87 LEU HD21 H 1 0.960 0.002 . 2 . . . . 89 LEU HD2# . 16172 1 283 . 1 1 87 87 LEU HD22 H 1 0.960 0.002 . 2 . . . . 89 LEU HD2# . 16172 1 284 . 1 1 87 87 LEU HD23 H 1 0.960 0.002 . 2 . . . . 89 LEU HD2# . 16172 1 285 . 1 1 87 87 LEU HG H 1 1.520 0.002 . 1 . . . . 89 LEU HG . 16172 1 286 . 1 1 88 88 TYR H H 1 9.460 0.002 . 1 . . . . 90 TYR HN . 16172 1 287 . 1 1 88 88 TYR HA H 1 6.350 0.002 . 1 . . . . 90 TYR HA . 16172 1 288 . 1 1 89 89 SER H H 1 8.090 0.002 . 1 . . . . 91 SER HN . 16172 1 289 . 1 1 90 90 SER H H 1 8.330 0.002 . 1 . . . . 92 SER HN . 16172 1 290 . 1 1 90 90 SER HA H 1 3.510 0.002 . 1 . . . . 92 SER HA . 16172 1 291 . 1 1 91 91 ASP H H 1 7.290 0.002 . 1 . . . . 93 ASP HN . 16172 1 292 . 1 1 92 92 TRP H H 1 5.940 0.002 . 1 . . . . 94 TRP HN . 16172 1 293 . 1 1 93 93 LEU H H 1 7.370 0.002 . 1 . . . . 95 LEU HN . 16172 1 294 . 1 1 93 93 LEU HD11 H 1 1.050 0.002 . 2 . . . . 95 LEU HD1# . 16172 1 295 . 1 1 93 93 LEU HD12 H 1 1.050 0.002 . 2 . . . . 95 LEU HD1# . 16172 1 296 . 1 1 93 93 LEU HD13 H 1 1.050 0.002 . 2 . . . . 95 LEU HD1# . 16172 1 297 . 1 1 93 93 LEU HD21 H 1 1.070 0.002 . 2 . . . . 95 LEU HD2# . 16172 1 298 . 1 1 93 93 LEU HD22 H 1 1.070 0.002 . 2 . . . . 95 LEU HD2# . 16172 1 299 . 1 1 93 93 LEU HD23 H 1 1.070 0.002 . 2 . . . . 95 LEU HD2# . 16172 1 300 . 1 1 93 93 LEU HG H 1 1.640 0.002 . 1 . . . . 95 LEU HG . 16172 1 301 . 1 1 94 94 ILE H H 1 8.800 0.002 . 1 . . . . 96 ILE HN . 16172 1 302 . 1 1 94 94 ILE HA H 1 5.900 0.002 . 1 . . . . 96 ILE HA . 16172 1 303 . 1 1 94 94 ILE HB H 1 2.130 0.002 . 1 . . . . 96 ILE HB . 16172 1 304 . 1 1 94 94 ILE HD11 H 1 1.200 0.002 . 1 . . . . 96 ILE HD1# . 16172 1 305 . 1 1 94 94 ILE HD12 H 1 1.200 0.002 . 1 . . . . 96 ILE HD1# . 16172 1 306 . 1 1 94 94 ILE HD13 H 1 1.200 0.002 . 1 . . . . 96 ILE HD1# . 16172 1 307 . 1 1 94 94 ILE HG21 H 1 0.970 0.002 . 1 . . . . 96 ILE HG2# . 16172 1 308 . 1 1 94 94 ILE HG22 H 1 0.970 0.002 . 1 . . . . 96 ILE HG2# . 16172 1 309 . 1 1 94 94 ILE HG23 H 1 0.970 0.002 . 1 . . . . 96 ILE HG2# . 16172 1 310 . 1 1 95 95 TYR H H 1 9.850 0.002 . 1 . . . . 97 TYR HN . 16172 1 311 . 1 1 95 95 TYR HA H 1 5.620 0.002 . 1 . . . . 97 TYR HA . 16172 1 312 . 1 1 96 96 LYS H H 1 9.600 0.002 . 1 . . . . 98 LYS HN . 16172 1 313 . 1 1 96 96 LYS HA H 1 5.220 0.002 . 1 . . . . 98 LYS HA . 16172 1 314 . 1 1 96 96 LYS HB2 H 1 1.280 0.002 . 2 . . . . 98 LYS HB1 . 16172 1 315 . 1 1 96 96 LYS HB3 H 1 1.020 0.002 . 2 . . . . 98 LYS HB2 . 16172 1 316 . 1 1 96 96 LYS HE2 H 1 2.150 0.002 . 2 . . . . 98 LYS HE1 . 16172 1 317 . 1 1 96 96 LYS HE3 H 1 1.310 0.002 . 2 . . . . 98 LYS HE2 . 16172 1 318 . 1 1 97 97 THR H H 1 9.340 0.002 . 1 . . . . 99 THR HN . 16172 1 319 . 1 1 97 97 THR HG21 H 1 0.720 0.002 . 1 . . . . 99 THR HG2# . 16172 1 320 . 1 1 97 97 THR HG22 H 1 0.720 0.002 . 1 . . . . 99 THR HG2# . 16172 1 321 . 1 1 97 97 THR HG23 H 1 0.720 0.002 . 1 . . . . 99 THR HG2# . 16172 1 322 . 1 1 98 98 THR H H 1 8.420 0.002 . 1 . . . . 100 THR HN . 16172 1 323 . 1 1 98 98 THR HA H 1 4.530 0.002 . 1 . . . . 100 THR HA . 16172 1 324 . 1 1 98 98 THR HG21 H 1 1.180 0.002 . 1 . . . . 100 THR HG2# . 16172 1 325 . 1 1 98 98 THR HG22 H 1 1.180 0.002 . 1 . . . . 100 THR HG2# . 16172 1 326 . 1 1 98 98 THR HG23 H 1 1.180 0.002 . 1 . . . . 100 THR HG2# . 16172 1 327 . 1 1 99 99 ASP H H 1 7.560 0.002 . 1 . . . . 101 ASP HN . 16172 1 328 . 1 1 100 100 ALA H H 1 7.770 0.002 . 1 . . . . 102 ALA HN . 16172 1 329 . 1 1 101 101 TYR H H 1 7.650 0.002 . 1 . . . . 103 TYR HN . 16172 1 330 . 1 1 102 102 GLN H H 1 7.550 0.002 . 1 . . . . 104 GLN HN . 16172 1 331 . 1 1 102 102 GLN HA H 1 4.290 0.002 . 1 . . . . 104 GLN HA . 16172 1 332 . 1 1 103 103 THR H H 1 7.790 0.002 . 1 . . . . 105 THR HN . 16172 1 333 . 1 1 103 103 THR HA H 1 4.660 0.002 . 1 . . . . 105 THR HA . 16172 1 334 . 1 1 103 103 THR HG21 H 1 1.080 0.002 . 1 . . . . 105 THR HG2# . 16172 1 335 . 1 1 103 103 THR HG22 H 1 1.080 0.002 . 1 . . . . 105 THR HG2# . 16172 1 336 . 1 1 103 103 THR HG23 H 1 1.080 0.002 . 1 . . . . 105 THR HG2# . 16172 1 337 . 1 1 104 104 PHE H H 1 8.790 0.002 . 1 . . . . 106 PHE HN . 16172 1 338 . 1 1 104 104 PHE HA H 1 5.110 0.002 . 1 . . . . 106 PHE HA . 16172 1 339 . 1 1 105 105 THR H H 1 8.820 0.002 . 1 . . . . 107 THR HN . 16172 1 340 . 1 1 105 105 THR HA H 1 4.570 0.002 . 1 . . . . 107 THR HA . 16172 1 341 . 1 1 105 105 THR HB H 1 4.450 0.002 . 1 . . . . 107 THR HB . 16172 1 342 . 1 1 105 105 THR HG21 H 1 1.120 0.002 . 1 . . . . 107 THR HG2# . 16172 1 343 . 1 1 105 105 THR HG22 H 1 1.120 0.002 . 1 . . . . 107 THR HG2# . 16172 1 344 . 1 1 105 105 THR HG23 H 1 1.120 0.002 . 1 . . . . 107 THR HG2# . 16172 1 345 . 1 1 106 106 LYS H H 1 8.660 0.002 . 1 . . . . 108 LYS HN . 16172 1 346 . 1 1 106 106 LYS HA H 1 3.650 0.002 . 1 . . . . 108 LYS HA . 16172 1 347 . 1 1 106 106 LYS HE2 H 1 2.800 0.002 . 2 . . . . 108 LYS HE1 . 16172 1 348 . 1 1 106 106 LYS HE3 H 1 3.050 0.002 . 2 . . . . 108 LYS HE2 . 16172 1 349 . 1 1 107 107 ILE HD11 H 1 0.620 0.002 . 1 . . . . 109 ILE HD1# . 16172 1 350 . 1 1 107 107 ILE HD12 H 1 0.620 0.002 . 1 . . . . 109 ILE HD1# . 16172 1 351 . 1 1 107 107 ILE HD13 H 1 0.620 0.002 . 1 . . . . 109 ILE HD1# . 16172 1 352 . 1 1 107 107 ILE HG21 H 1 0.510 0.002 . 1 . . . . 109 ILE HG2# . 16172 1 353 . 1 1 107 107 ILE HG22 H 1 0.510 0.002 . 1 . . . . 109 ILE HG2# . 16172 1 354 . 1 1 107 107 ILE HG23 H 1 0.510 0.002 . 1 . . . . 109 ILE HG2# . 16172 1 355 . 1 1 108 108 ARG H H 1 8.780 0.002 . 1 . . . . 110 ARG HN . 16172 1 356 . 1 1 108 108 ARG HA H 1 4.330 0.002 . 1 . . . . 110 ARG HA . 16172 1 stop_ save_