################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34570 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 34570 1 2 '3D HNCACB' . . . 34570 1 3 '3D CBCA(CO)NH' . . . 34570 1 4 '3D HBHA(CO)NH' . . . 34570 1 5 '3D CC-TOCSY-NNH' . . . 34570 1 6 '3D HCC-TOCSY' . . . 34570 1 7 '3D HCCH-TOCSY' . . . 34570 1 8 '2D 1H-13C HSQC aliphatic' . . . 34570 1 9 '2D 1H-13C HSQC aromatic' . . . 34570 1 10 '2D 1H-15N HSQC' . . . 34570 1 11 '2D 1H-15N HSQC NH2 only' . . . 34570 1 12 '3D 1H-15N NOESY' . . . 34570 1 13 '3D 1H-13C NOESY aliphatic' . . . 34570 1 14 '3D 1H-13C NOESY aromatic' . . . 34570 1 15 '3D Met-Met NOESY' . . . 34570 1 16 '2D 1H-1H NOESY' . . . 34570 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 SER HA H 1 5.35 0 . . . . . . A 2 SER HA . 34570 1 2 . 1 . 1 2 2 SER HB2 H 1 3.81 0 . . . . . . A 2 SER HB2 . 34570 1 3 . 1 . 1 2 2 SER HB3 H 1 3.81 0 . . . . . . A 2 SER HB3 . 34570 1 4 . 1 . 1 2 2 SER CA C 13 58.3 0 . . . . . . A 2 SER CA . 34570 1 5 . 1 . 1 2 2 SER CB C 13 63.8 0 . . . . . . A 2 SER CB . 34570 1 6 . 1 . 1 3 3 HIS H H 1 8.51 0 . . . . . . A 3 HIS H . 34570 1 7 . 1 . 1 3 3 HIS HA H 1 4.64 0 . . . . . . A 3 HIS HA . 34570 1 8 . 1 . 1 3 3 HIS HB2 H 1 3.08 0 . . . . . . A 3 HIS HB2 . 34570 1 9 . 1 . 1 3 3 HIS HB3 H 1 3.08 0 . . . . . . A 3 HIS HB3 . 34570 1 10 . 1 . 1 3 3 HIS CA C 13 56.2 0 . . . . . . A 3 HIS CA . 34570 1 11 . 1 . 1 3 3 HIS CB C 13 30.6 0 . . . . . . A 3 HIS CB . 34570 1 12 . 1 . 1 3 3 HIS N N 15 121.1 0 . . . . . . A 3 HIS N . 34570 1 13 . 1 . 1 4 4 MET H H 1 8.23 0 . . . . . . A 4 MET H . 34570 1 14 . 1 . 1 4 4 MET HA H 1 4.40 0 . . . . . . A 4 MET HA . 34570 1 15 . 1 . 1 4 4 MET HB2 H 1 1.83 0 . . . . . . A 4 MET HB2 . 34570 1 16 . 1 . 1 4 4 MET HB3 H 1 1.83 0 . . . . . . A 4 MET HB3 . 34570 1 17 . 1 . 1 4 4 MET HG2 H 1 2.42 0 . . . . . . A 4 MET HG2 . 34570 1 18 . 1 . 1 4 4 MET HG3 H 1 2.42 0 . . . . . . A 4 MET HG3 . 34570 1 19 . 1 . 1 4 4 MET CA C 13 55.3 0 . . . . . . A 4 MET CA . 34570 1 20 . 1 . 1 4 4 MET CB C 13 33.4 0 . . . . . . A 4 MET CB . 34570 1 21 . 1 . 1 4 4 MET N N 15 122 0 . . . . . . A 4 MET N . 34570 1 22 . 1 . 1 5 5 LEU H H 1 8.53 0 . . . . . . A 5 LEU H . 34570 1 23 . 1 . 1 5 5 LEU HA H 1 4.39 0 . . . . . . A 5 LEU HA . 34570 1 24 . 1 . 1 5 5 LEU HB2 H 1 1.64 0 . . . . . . A 5 LEU HB2 . 34570 1 25 . 1 . 1 5 5 LEU HB3 H 1 1 0 . . . . . . A 5 LEU HB3 . 34570 1 26 . 1 . 1 5 5 LEU HD11 H 1 0.93 0 . . . . . . A 5 LEU HD11 . 34570 1 27 . 1 . 1 5 5 LEU HD12 H 1 0.93 0 . . . . . . A 5 LEU HD12 . 34570 1 28 . 1 . 1 5 5 LEU HD13 H 1 0.93 0 . . . . . . A 5 LEU HD13 . 34570 1 29 . 1 . 1 5 5 LEU HD21 H 1 0.81 0 . . . . . . A 5 LEU HD21 . 34570 1 30 . 1 . 1 5 5 LEU HD22 H 1 0.81 0 . . . . . . A 5 LEU HD22 . 34570 1 31 . 1 . 1 5 5 LEU HD23 H 1 0.81 0 . . . . . . A 5 LEU HD23 . 34570 1 32 . 1 . 1 5 5 LEU CA C 13 55.8 0 . . . . . . A 5 LEU CA . 34570 1 33 . 1 . 1 5 5 LEU N N 15 125.2 0 . . . . . . A 5 LEU N . 34570 1 34 . 1 . 1 6 6 GLN H H 1 8.52 0 . . . . . . A 6 GLN H . 34570 1 35 . 1 . 1 6 6 GLN HA H 1 5.60 0 . . . . . . A 6 GLN HA . 34570 1 36 . 1 . 1 6 6 GLN HB2 H 1 1.92 0 . . . . . . A 6 GLN HB2 . 34570 1 37 . 1 . 1 6 6 GLN HB3 H 1 1.66 0 . . . . . . A 6 GLN HB3 . 34570 1 38 . 1 . 1 6 6 GLN HG2 H 1 2.29 0 . . . . . . A 6 GLN HG2 . 34570 1 39 . 1 . 1 6 6 GLN HG3 H 1 2.29 0 . . . . . . A 6 GLN HG3 . 34570 1 40 . 1 . 1 6 6 GLN HE21 H 1 7.18 0 . . . . . . A 6 GLN HE21 . 34570 1 41 . 1 . 1 6 6 GLN HE22 H 1 6.79 0 . . . . . . A 6 GLN HE22 . 34570 1 42 . 1 . 1 6 6 GLN CA C 13 53.9 0 . . . . . . A 6 GLN CA . 34570 1 43 . 1 . 1 6 6 GLN CB C 13 33.1 0 . . . . . . A 6 GLN CB . 34570 1 44 . 1 . 1 6 6 GLN N N 15 122.5 0 . . . . . . A 6 GLN N . 34570 1 45 . 1 . 1 6 6 GLN NE2 N 15 111.5 0 . . . . . . A 6 GLN NE2 . 34570 1 46 . 1 . 1 7 7 VAL H H 1 8.97 0 . . . . . . A 7 VAL H . 34570 1 47 . 1 . 1 7 7 VAL HA H 1 4.97 0 . . . . . . A 7 VAL HA . 34570 1 48 . 1 . 1 7 7 VAL HB H 1 1.84 0 . . . . . . A 7 VAL HB . 34570 1 49 . 1 . 1 7 7 VAL HG11 H 1 0.88 0 . . . . . . A 7 VAL HG11 . 34570 1 50 . 1 . 1 7 7 VAL HG12 H 1 0.88 0 . . . . . . A 7 VAL HG12 . 34570 1 51 . 1 . 1 7 7 VAL HG13 H 1 0.88 0 . . . . . . A 7 VAL HG13 . 34570 1 52 . 1 . 1 7 7 VAL HG21 H 1 0.88 0 . . . . . . A 7 VAL HG21 . 34570 1 53 . 1 . 1 7 7 VAL HG22 H 1 0.88 0 . . . . . . A 7 VAL HG22 . 34570 1 54 . 1 . 1 7 7 VAL HG23 H 1 0.88 0 . . . . . . A 7 VAL HG23 . 34570 1 55 . 1 . 1 7 7 VAL CA C 13 58.3 0 . . . . . . A 7 VAL CA . 34570 1 56 . 1 . 1 7 7 VAL CB C 13 35.5 0 . . . . . . A 7 VAL CB . 34570 1 57 . 1 . 1 7 7 VAL N N 15 112 0 . . . . . . A 7 VAL N . 34570 1 58 . 1 . 1 8 8 ARG H H 1 9.06 0 . . . . . . A 8 ARG H . 34570 1 59 . 1 . 1 8 8 ARG HA H 1 5.13 0 . . . . . . A 8 ARG HA . 34570 1 60 . 1 . 1 8 8 ARG HB2 H 1 1.77 0 . . . . . . A 8 ARG HB2 . 34570 1 61 . 1 . 1 8 8 ARG HB3 H 1 1.83 0 . . . . . . A 8 ARG HB3 . 34570 1 62 . 1 . 1 8 8 ARG HG2 H 1 1.39 0 . . . . . . A 8 ARG HG2 . 34570 1 63 . 1 . 1 8 8 ARG HG3 H 1 1.5 0 . . . . . . A 8 ARG HG3 . 34570 1 64 . 1 . 1 8 8 ARG HD2 H 1 3.21 0 . . . . . . A 8 ARG HD2 . 34570 1 65 . 1 . 1 8 8 ARG HD3 H 1 3.26 0 . . . . . . A 8 ARG HD3 . 34570 1 66 . 1 . 1 8 8 ARG CA C 13 53.5 0 . . . . . . A 8 ARG CA . 34570 1 67 . 1 . 1 8 8 ARG CB C 13 32.5 0 . . . . . . A 8 ARG CB . 34570 1 68 . 1 . 1 8 8 ARG N N 15 122.1 0 . . . . . . A 8 ARG N . 34570 1 69 . 1 . 1 9 9 ALA H H 1 9.21 0 . . . . . . A 9 ALA H . 34570 1 70 . 1 . 1 9 9 ALA HA H 1 4.52 0 . . . . . . A 9 ALA HA . 34570 1 71 . 1 . 1 9 9 ALA HB1 H 1 1.41 0 . . . . . . A 9 ALA HB1 . 34570 1 72 . 1 . 1 9 9 ALA HB2 H 1 1.41 0 . . . . . . A 9 ALA HB2 . 34570 1 73 . 1 . 1 9 9 ALA HB3 H 1 1.41 0 . . . . . . A 9 ALA HB3 . 34570 1 74 . 1 . 1 9 9 ALA CA C 13 52.3 0 . . . . . . A 9 ALA CA . 34570 1 75 . 1 . 1 9 9 ALA CB C 13 20.4 0 . . . . . . A 9 ALA CB . 34570 1 76 . 1 . 1 9 9 ALA N N 15 128.7 0 . . . . . . A 9 ALA N . 34570 1 77 . 1 . 1 10 10 THR H H 1 9.36 0 . . . . . . A 10 THR H . 34570 1 78 . 1 . 1 10 10 THR HA H 1 4.29 0 . . . . . . A 10 THR HA . 34570 1 79 . 1 . 1 10 10 THR HB H 1 4.42 0 . . . . . . A 10 THR HB . 34570 1 80 . 1 . 1 10 10 THR HG21 H 1 1.27 0 . . . . . . A 10 THR HG21 . 34570 1 81 . 1 . 1 10 10 THR HG22 H 1 1.27 0 . . . . . . A 10 THR HG22 . 34570 1 82 . 1 . 1 10 10 THR HG23 H 1 1.27 0 . . . . . . A 10 THR HG23 . 34570 1 83 . 1 . 1 10 10 THR CA C 13 62.6 0 . . . . . . A 10 THR CA . 34570 1 84 . 1 . 1 10 10 THR CB C 13 69.5 0 . . . . . . A 10 THR CB . 34570 1 85 . 1 . 1 10 10 THR N N 15 115.5 0 . . . . . . A 10 THR N . 34570 1 86 . 1 . 1 11 11 LYS H H 1 7.39 0 . . . . . . A 11 LYS H . 34570 1 87 . 1 . 1 11 11 LYS HA H 1 4.60 0 . . . . . . A 11 LYS HA . 34570 1 88 . 1 . 1 11 11 LYS HB2 H 1 2.02 0 . . . . . . A 11 LYS HB2 . 34570 1 89 . 1 . 1 11 11 LYS HB3 H 1 2.02 0 . . . . . . A 11 LYS HB3 . 34570 1 90 . 1 . 1 11 11 LYS HG2 H 1 1.45 0 . . . . . . A 11 LYS HG2 . 34570 1 91 . 1 . 1 11 11 LYS HG3 H 1 1.40 0 . . . . . . A 11 LYS HG3 . 34570 1 92 . 1 . 1 11 11 LYS HD2 H 1 1.72 0 . . . . . . A 11 LYS HD2 . 34570 1 93 . 1 . 1 11 11 LYS HD3 H 1 1.7 0 . . . . . . A 11 LYS HD3 . 34570 1 94 . 1 . 1 11 11 LYS HE2 H 1 2.98 0 . . . . . . A 11 LYS HE2 . 34570 1 95 . 1 . 1 11 11 LYS HE3 H 1 2.98 0 . . . . . . A 11 LYS HE3 . 34570 1 96 . 1 . 1 11 11 LYS N N 15 117.1 0 . . . . . . A 11 LYS N . 34570 1 97 . 1 . 1 12 12 ASP H H 1 8.14 0 . . . . . . A 12 ASP H . 34570 1 98 . 1 . 1 12 12 ASP HA H 1 4.60 0 . . . . . . A 12 ASP HA . 34570 1 99 . 1 . 1 12 12 ASP HB2 H 1 2.71 0 . . . . . . A 12 ASP HB2 . 34570 1 100 . 1 . 1 12 12 ASP HB3 H 1 2.63 0 . . . . . . A 12 ASP HB3 . 34570 1 101 . 1 . 1 12 12 ASP CA C 13 54.0 0 . . . . . . A 12 ASP CA . 34570 1 102 . 1 . 1 12 12 ASP CB C 13 41.6 0 . . . . . . A 12 ASP CB . 34570 1 103 . 1 . 1 12 12 ASP N N 15 116.5 0 . . . . . . A 12 ASP N . 34570 1 104 . 1 . 1 13 13 TYR H H 1 9.04 0 . . . . . . A 13 TYR H . 34570 1 105 . 1 . 1 13 13 TYR HA H 1 4.61 0 . . . . . . A 13 TYR HA . 34570 1 106 . 1 . 1 13 13 TYR HB2 H 1 3.03 0 . . . . . . A 13 TYR HB2 . 34570 1 107 . 1 . 1 13 13 TYR HB3 H 1 2.67 0 . . . . . . A 13 TYR HB3 . 34570 1 108 . 1 . 1 13 13 TYR HD1 H 1 7.44 0 . . . . . . A 13 TYR HD1 . 34570 1 109 . 1 . 1 13 13 TYR HD2 H 1 7.44 0 . . . . . . A 13 TYR HD2 . 34570 1 110 . 1 . 1 13 13 TYR HE1 H 1 7.07 0 . . . . . . A 13 TYR HE1 . 34570 1 111 . 1 . 1 13 13 TYR HE2 H 1 7.07 0 . . . . . . A 13 TYR HE2 . 34570 1 112 . 1 . 1 13 13 TYR CA C 13 58.8 0 . . . . . . A 13 TYR CA . 34570 1 113 . 1 . 1 13 13 TYR CB C 13 42.7 0 . . . . . . A 13 TYR CB . 34570 1 114 . 1 . 1 13 13 TYR N N 15 120.8 0 . . . . . . A 13 TYR N . 34570 1 115 . 1 . 1 14 14 CYS H H 1 8.09 0 . . . . . . A 14 CYS H . 34570 1 116 . 1 . 1 14 14 CYS HA H 1 4.42 0 . . . . . . A 14 CYS HA . 34570 1 117 . 1 . 1 14 14 CYS HB2 H 1 2.75 0 . . . . . . A 14 CYS HB2 . 34570 1 118 . 1 . 1 14 14 CYS HB3 H 1 2.70 0 . . . . . . A 14 CYS HB3 . 34570 1 119 . 1 . 1 14 14 CYS CA C 13 57.1 0 . . . . . . A 14 CYS CA . 34570 1 120 . 1 . 1 14 14 CYS CB C 13 28.2 0 . . . . . . A 14 CYS CB . 34570 1 121 . 1 . 1 14 14 CYS N N 15 125.7 0 . . . . . . A 14 CYS N . 34570 1 122 . 1 . 1 15 15 ASN H H 1 8.85 0 . . . . . . A 15 ASN H . 34570 1 123 . 1 . 1 15 15 ASN HA H 1 4.81 0 . . . . . . A 15 ASN HA . 34570 1 124 . 1 . 1 15 15 ASN HB2 H 1 2.43 0 . . . . . . A 15 ASN HB2 . 34570 1 125 . 1 . 1 15 15 ASN HB3 H 1 2.99 0 . . . . . . A 15 ASN HB3 . 34570 1 126 . 1 . 1 15 15 ASN HD21 H 1 7.32 0 . . . . . . A 15 ASN HD21 . 34570 1 127 . 1 . 1 15 15 ASN HD22 H 1 7.12 0 . . . . . . A 15 ASN HD22 . 34570 1 128 . 1 . 1 15 15 ASN CA C 13 51.5 0 . . . . . . A 15 ASN CA . 34570 1 129 . 1 . 1 15 15 ASN CB C 13 38.6 0 . . . . . . A 15 ASN CB . 34570 1 130 . 1 . 1 15 15 ASN N N 15 124.7 0 . . . . . . A 15 ASN N . 34570 1 131 . 1 . 1 15 15 ASN ND2 N 15 110.8 0 . . . . . . A 15 ASN ND2 . 34570 1 132 . 1 . 1 16 16 ASN HA H 1 4.34 0 . . . . . . A 16 ASN HA . 34570 1 133 . 1 . 1 16 16 ASN HB2 H 1 2.55 0 . . . . . . A 16 ASN HB2 . 34570 1 134 . 1 . 1 16 16 ASN HB3 H 1 2.29 0 . . . . . . A 16 ASN HB3 . 34570 1 135 . 1 . 1 16 16 ASN HD21 H 1 7.35 0 . . . . . . A 16 ASN HD21 . 34570 1 136 . 1 . 1 16 16 ASN HD22 H 1 6.65 0 . . . . . . A 16 ASN HD22 . 34570 1 137 . 1 . 1 16 16 ASN CA C 13 54.5 0 . . . . . . A 16 ASN CA . 34570 1 138 . 1 . 1 16 16 ASN CB C 13 38.2 0 . . . . . . A 16 ASN CB . 34570 1 139 . 1 . 1 16 16 ASN ND2 N 15 112.1 0 . . . . . . A 16 ASN ND2 . 34570 1 140 . 1 . 1 17 17 TYR H H 1 7.96 0 . . . . . . A 17 TYR H . 34570 1 141 . 1 . 1 17 17 TYR HA H 1 4.45 0 . . . . . . A 17 TYR HA . 34570 1 142 . 1 . 1 17 17 TYR HB2 H 1 3.21 0 . . . . . . A 17 TYR HB2 . 34570 1 143 . 1 . 1 17 17 TYR HB3 H 1 2.94 0 . . . . . . A 17 TYR HB3 . 34570 1 144 . 1 . 1 17 17 TYR HD1 H 1 7.88 0 . . . . . . A 17 TYR HD1 . 34570 1 145 . 1 . 1 17 17 TYR HD2 H 1 7.88 0 . . . . . . A 17 TYR HD2 . 34570 1 146 . 1 . 1 17 17 TYR HE1 H 1 7.16 0 . . . . . . A 17 TYR HE1 . 34570 1 147 . 1 . 1 17 17 TYR HE2 H 1 7.16 0 . . . . . . A 17 TYR HE2 . 34570 1 148 . 1 . 1 17 17 TYR CA C 13 58.3 0 . . . . . . A 17 TYR CA . 34570 1 149 . 1 . 1 17 17 TYR CB C 13 38.1 0 . . . . . . A 17 TYR CB . 34570 1 150 . 1 . 1 17 17 TYR N N 15 116 0 . . . . . . A 17 TYR N . 34570 1 151 . 1 . 1 18 18 ASP H H 1 7.13 0 . . . . . . A 18 ASP H . 34570 1 152 . 1 . 1 18 18 ASP HA H 1 4.85 0 . . . . . . A 18 ASP HA . 34570 1 153 . 1 . 1 18 18 ASP HB2 H 1 2.78 0 . . . . . . A 18 ASP HB2 . 34570 1 154 . 1 . 1 18 18 ASP HB3 H 1 2.63 0 . . . . . . A 18 ASP HB3 . 34570 1 155 . 1 . 1 18 18 ASP CA C 13 52.1 0 . . . . . . A 18 ASP CA . 34570 1 156 . 1 . 1 18 18 ASP CB C 13 41.6 0 . . . . . . A 18 ASP CB . 34570 1 157 . 1 . 1 18 18 ASP N N 15 117.6 0 . . . . . . A 18 ASP N . 34570 1 158 . 1 . 1 19 19 LEU H H 1 9.00 0 . . . . . . A 19 LEU H . 34570 1 159 . 1 . 1 19 19 LEU HA H 1 4.35 0 . . . . . . A 19 LEU HA . 34570 1 160 . 1 . 1 19 19 LEU HB2 H 1 1.78 0 . . . . . . A 19 LEU HB2 . 34570 1 161 . 1 . 1 19 19 LEU N N 15 126.1 0 . . . . . . A 19 LEU N . 34570 1 162 . 1 . 1 20 20 THR H H 1 8.49 0 . . . . . . A 20 THR H . 34570 1 163 . 1 . 1 20 20 THR HA H 1 4.79 0 . . . . . . A 20 THR HA . 34570 1 164 . 1 . 1 20 20 THR HG21 H 1 1.32 0 . . . . . . A 20 THR HG21 . 34570 1 165 . 1 . 1 20 20 THR HG22 H 1 1.32 0 . . . . . . A 20 THR HG22 . 34570 1 166 . 1 . 1 20 20 THR HG23 H 1 1.32 0 . . . . . . A 20 THR HG23 . 34570 1 167 . 1 . 1 20 20 THR CA C 13 61.9 0 . . . . . . A 20 THR CA . 34570 1 168 . 1 . 1 20 20 THR CB C 13 69.4 0 . . . . . . A 20 THR CB . 34570 1 169 . 1 . 1 20 20 THR N N 15 108.2 0 . . . . . . A 20 THR N . 34570 1 170 . 1 . 1 21 21 SER H H 1 7.85 0 . . . . . . A 21 SER H . 34570 1 171 . 1 . 1 21 21 SER HA H 1 4.99 0 . . . . . . A 21 SER HA . 34570 1 172 . 1 . 1 21 21 SER HB2 H 1 4.29 0 . . . . . . A 21 SER HB2 . 34570 1 173 . 1 . 1 21 21 SER HB3 H 1 4.24 0 . . . . . . A 21 SER HB3 . 34570 1 174 . 1 . 1 21 21 SER CA C 13 59.1 0 . . . . . . A 21 SER CA . 34570 1 175 . 1 . 1 21 21 SER CB C 13 65.3 0 . . . . . . A 21 SER CB . 34570 1 176 . 1 . 1 21 21 SER N N 15 118.2 0 . . . . . . A 21 SER N . 34570 1 177 . 1 . 1 22 22 LEU H H 1 9.33 0 . . . . . . A 22 LEU H . 34570 1 178 . 1 . 1 22 22 LEU HA H 1 4.26 0 . . . . . . A 22 LEU HA . 34570 1 179 . 1 . 1 22 22 LEU HB2 H 1 1.64 0 . . . . . . A 22 LEU HB2 . 34570 1 180 . 1 . 1 22 22 LEU HB3 H 1 1.26 0 . . . . . . A 22 LEU HB3 . 34570 1 181 . 1 . 1 22 22 LEU HD11 H 1 0.65 0 . . . . . . A 22 LEU HD11 . 34570 1 182 . 1 . 1 22 22 LEU HD12 H 1 0.65 0 . . . . . . A 22 LEU HD12 . 34570 1 183 . 1 . 1 22 22 LEU HD13 H 1 0.65 0 . . . . . . A 22 LEU HD13 . 34570 1 184 . 1 . 1 22 22 LEU HD21 H 1 1 0 . . . . . . A 22 LEU HD21 . 34570 1 185 . 1 . 1 22 22 LEU HD22 H 1 1 0 . . . . . . A 22 LEU HD22 . 34570 1 186 . 1 . 1 22 22 LEU HD23 H 1 1 0 . . . . . . A 22 LEU HD23 . 34570 1 187 . 1 . 1 22 22 LEU N N 15 126.5 0 . . . . . . A 22 LEU N . 34570 1 188 . 1 . 1 23 23 ASN H H 1 8.46 0 . . . . . . A 23 ASN H . 34570 1 189 . 1 . 1 23 23 ASN HA H 1 5.02 0 . . . . . . A 23 ASN HA . 34570 1 190 . 1 . 1 23 23 ASN HB2 H 1 2.72 0 . . . . . . A 23 ASN HB2 . 34570 1 191 . 1 . 1 23 23 ASN HB3 H 1 2.72 0 . . . . . . A 23 ASN HB3 . 34570 1 192 . 1 . 1 23 23 ASN HD21 H 1 7.56 0 . . . . . . A 23 ASN HD21 . 34570 1 193 . 1 . 1 23 23 ASN HD22 H 1 6.91 0 . . . . . . A 23 ASN HD22 . 34570 1 194 . 1 . 1 23 23 ASN CA C 13 53.3 0 . . . . . . A 23 ASN CA . 34570 1 195 . 1 . 1 23 23 ASN CB C 13 38.6 0 . . . . . . A 23 ASN CB . 34570 1 196 . 1 . 1 23 23 ASN N N 15 124.1 0 . . . . . . A 23 ASN N . 34570 1 197 . 1 . 1 23 23 ASN ND2 N 15 112.4 0 . . . . . . A 23 ASN ND2 . 34570 1 198 . 1 . 1 24 24 VAL H H 1 9.29 0 . . . . . . A 24 VAL H . 34570 1 199 . 1 . 1 24 24 VAL HA H 1 4.10 0 . . . . . . A 24 VAL HA . 34570 1 200 . 1 . 1 24 24 VAL HB H 1 2.15 0 . . . . . . A 24 VAL HB . 34570 1 201 . 1 . 1 24 24 VAL HG11 H 1 0.85 0 . . . . . . A 24 VAL HG11 . 34570 1 202 . 1 . 1 24 24 VAL HG12 H 1 0.85 0 . . . . . . A 24 VAL HG12 . 34570 1 203 . 1 . 1 24 24 VAL HG13 H 1 0.85 0 . . . . . . A 24 VAL HG13 . 34570 1 204 . 1 . 1 24 24 VAL HG21 H 1 0.85 0 . . . . . . A 24 VAL HG21 . 34570 1 205 . 1 . 1 24 24 VAL HG22 H 1 0.85 0 . . . . . . A 24 VAL HG22 . 34570 1 206 . 1 . 1 24 24 VAL HG23 H 1 0.85 0 . . . . . . A 24 VAL HG23 . 34570 1 207 . 1 . 1 24 24 VAL CA C 13 61.9 0 . . . . . . A 24 VAL CA . 34570 1 208 . 1 . 1 24 24 VAL CB C 13 35.4 0 . . . . . . A 24 VAL CB . 34570 1 209 . 1 . 1 24 24 VAL N N 15 126.9 0 . . . . . . A 24 VAL N . 34570 1 210 . 1 . 1 25 25 LYS H H 1 9.26 0 . . . . . . A 25 LYS H . 34570 1 211 . 1 . 1 25 25 LYS HA H 1 4.88 0 . . . . . . A 25 LYS HA . 34570 1 212 . 1 . 1 25 25 LYS HB2 H 1 1.70 0 . . . . . . A 25 LYS HB2 . 34570 1 213 . 1 . 1 25 25 LYS HB3 H 1 1.70 0 . . . . . . A 25 LYS HB3 . 34570 1 214 . 1 . 1 25 25 LYS HG2 H 1 1.42 0 . . . . . . A 25 LYS HG2 . 34570 1 215 . 1 . 1 25 25 LYS HG3 H 1 1.42 0 . . . . . . A 25 LYS HG3 . 34570 1 216 . 1 . 1 25 25 LYS HE2 H 1 2.99 0 . . . . . . A 25 LYS HE2 . 34570 1 217 . 1 . 1 25 25 LYS HE3 H 1 2.99 0 . . . . . . A 25 LYS HE3 . 34570 1 218 . 1 . 1 25 25 LYS N N 15 130.3 0 . . . . . . A 25 LYS N . 34570 1 219 . 1 . 1 26 26 ALA H H 1 9.00 0 . . . . . . A 26 ALA H . 34570 1 220 . 1 . 1 26 26 ALA HA H 1 3.30 0 . . . . . . A 26 ALA HA . 34570 1 221 . 1 . 1 26 26 ALA HB1 H 1 1.15 0 . . . . . . A 26 ALA HB1 . 34570 1 222 . 1 . 1 26 26 ALA HB2 H 1 1.15 0 . . . . . . A 26 ALA HB2 . 34570 1 223 . 1 . 1 26 26 ALA HB3 H 1 1.15 0 . . . . . . A 26 ALA HB3 . 34570 1 224 . 1 . 1 26 26 ALA CA C 13 54.0 0 . . . . . . A 26 ALA CA . 34570 1 225 . 1 . 1 26 26 ALA CB C 13 17.8 0 . . . . . . A 26 ALA CB . 34570 1 226 . 1 . 1 26 26 ALA N N 15 124.2 0 . . . . . . A 26 ALA N . 34570 1 227 . 1 . 1 27 27 GLY H H 1 8.84 0 . . . . . . A 27 GLY H . 34570 1 228 . 1 . 1 27 27 GLY HA2 H 1 3.45 0 . . . . . . A 27 GLY HA2 . 34570 1 229 . 1 . 1 27 27 GLY HA3 H 1 4.46 0 . . . . . . A 27 GLY HA3 . 34570 1 230 . 1 . 1 27 27 GLY CA C 13 44.9 0 . . . . . . A 27 GLY CA . 34570 1 231 . 1 . 1 27 27 GLY N N 15 112.2 0 . . . . . . A 27 GLY N . 34570 1 232 . 1 . 1 28 28 ASP H H 1 8.57 0 . . . . . . A 28 ASP H . 34570 1 233 . 1 . 1 28 28 ASP HA H 1 4.46 0 . . . . . . A 28 ASP HA . 34570 1 234 . 1 . 1 28 28 ASP HB2 H 1 2.70 0 . . . . . . A 28 ASP HB2 . 34570 1 235 . 1 . 1 28 28 ASP HB3 H 1 2.27 0 . . . . . . A 28 ASP HB3 . 34570 1 236 . 1 . 1 28 28 ASP CA C 13 55.8 0 . . . . . . A 28 ASP CA . 34570 1 237 . 1 . 1 28 28 ASP CB C 13 41.6 0 . . . . . . A 28 ASP CB . 34570 1 238 . 1 . 1 28 28 ASP N N 15 122.1 0 . . . . . . A 28 ASP N . 34570 1 239 . 1 . 1 29 29 ILE H H 1 8.43 0 . . . . . . A 29 ILE H . 34570 1 240 . 1 . 1 29 29 ILE HA H 1 4.58 0 . . . . . . A 29 ILE HA . 34570 1 241 . 1 . 1 29 29 ILE HB H 1 1.92 0 . . . . . . A 29 ILE HB . 34570 1 242 . 1 . 1 29 29 ILE HG12 H 1 1.75 0 . . . . . . A 29 ILE HG12 . 34570 1 243 . 1 . 1 29 29 ILE HG13 H 1 1.34 0 . . . . . . A 29 ILE HG13 . 34570 1 244 . 1 . 1 29 29 ILE HG21 H 1 0.75 0 . . . . . . A 29 ILE HG21 . 34570 1 245 . 1 . 1 29 29 ILE HG22 H 1 0.75 0 . . . . . . A 29 ILE HG22 . 34570 1 246 . 1 . 1 29 29 ILE HG23 H 1 0.75 0 . . . . . . A 29 ILE HG23 . 34570 1 247 . 1 . 1 29 29 ILE HD11 H 1 0.80 0 . . . . . . A 29 ILE HD11 . 34570 1 248 . 1 . 1 29 29 ILE HD12 H 1 0.80 0 . . . . . . A 29 ILE HD12 . 34570 1 249 . 1 . 1 29 29 ILE HD13 H 1 0.80 0 . . . . . . A 29 ILE HD13 . 34570 1 250 . 1 . 1 29 29 ILE N N 15 120.4 0 . . . . . . A 29 ILE N . 34570 1 251 . 1 . 1 30 30 ILE H H 1 9.29 0 . . . . . . A 30 ILE H . 34570 1 252 . 1 . 1 30 30 ILE HA H 1 4.32 0 . . . . . . A 30 ILE HA . 34570 1 253 . 1 . 1 30 30 ILE HG12 H 1 1.37 0 . . . . . . A 30 ILE HG12 . 34570 1 254 . 1 . 1 30 30 ILE HG13 H 1 1.45 0 . . . . . . A 30 ILE HG13 . 34570 1 255 . 1 . 1 30 30 ILE HG21 H 1 0.29 0 . . . . . . A 30 ILE HG21 . 34570 1 256 . 1 . 1 30 30 ILE HG22 H 1 0.29 0 . . . . . . A 30 ILE HG22 . 34570 1 257 . 1 . 1 30 30 ILE HG23 H 1 0.29 0 . . . . . . A 30 ILE HG23 . 34570 1 258 . 1 . 1 30 30 ILE HD11 H 1 -0.08 0 . . . . . . A 30 ILE HD11 . 34570 1 259 . 1 . 1 30 30 ILE HD12 H 1 -0.08 0 . . . . . . A 30 ILE HD12 . 34570 1 260 . 1 . 1 30 30 ILE HD13 H 1 -0.08 0 . . . . . . A 30 ILE HD13 . 34570 1 261 . 1 . 1 30 30 ILE N N 15 128.44 0 . . . . . . A 30 ILE N . 34570 1 262 . 1 . 1 31 31 THR H H 1 9.13 0 . . . . . . A 31 THR H . 34570 1 263 . 1 . 1 31 31 THR HA H 1 4.60 0 . . . . . . A 31 THR HA . 34570 1 264 . 1 . 1 31 31 THR HB H 1 4.15 0 . . . . . . A 31 THR HB . 34570 1 265 . 1 . 1 31 31 THR HG21 H 1 1.13 0 . . . . . . A 31 THR HG21 . 34570 1 266 . 1 . 1 31 31 THR HG22 H 1 1.13 0 . . . . . . A 31 THR HG22 . 34570 1 267 . 1 . 1 31 31 THR HG23 H 1 1.13 0 . . . . . . A 31 THR HG23 . 34570 1 268 . 1 . 1 31 31 THR CA C 13 63.5 0 . . . . . . A 31 THR CA . 34570 1 269 . 1 . 1 31 31 THR CB C 13 69.0 0 . . . . . . A 31 THR CB . 34570 1 270 . 1 . 1 31 31 THR N N 15 124.1 0 . . . . . . A 31 THR N . 34570 1 271 . 1 . 1 32 32 VAL H H 1 9.31 0 . . . . . . A 32 VAL H . 34570 1 272 . 1 . 1 32 32 VAL HA H 1 4.00 0 . . . . . . A 32 VAL HA . 34570 1 273 . 1 . 1 32 32 VAL HB H 1 2.10 0 . . . . . . A 32 VAL HB . 34570 1 274 . 1 . 1 32 32 VAL HG11 H 1 1.22 0 . . . . . . A 32 VAL HG11 . 34570 1 275 . 1 . 1 32 32 VAL HG12 H 1 1.22 0 . . . . . . A 32 VAL HG12 . 34570 1 276 . 1 . 1 32 32 VAL HG13 H 1 1.22 0 . . . . . . A 32 VAL HG13 . 34570 1 277 . 1 . 1 32 32 VAL HG21 H 1 0.65 0 . . . . . . A 32 VAL HG21 . 34570 1 278 . 1 . 1 32 32 VAL HG22 H 1 0.65 0 . . . . . . A 32 VAL HG22 . 34570 1 279 . 1 . 1 32 32 VAL HG23 H 1 0.65 0 . . . . . . A 32 VAL HG23 . 34570 1 280 . 1 . 1 32 32 VAL CA C 13 64.6 0 . . . . . . A 32 VAL CA . 34570 1 281 . 1 . 1 32 32 VAL CB C 13 31.3 0 . . . . . . A 32 VAL CB . 34570 1 282 . 1 . 1 32 32 VAL N N 15 129.4 0 . . . . . . A 32 VAL N . 34570 1 283 . 1 . 1 33 33 LEU H H 1 9.04 0 . . . . . . A 33 LEU H . 34570 1 284 . 1 . 1 33 33 LEU HA H 1 4.41 0 . . . . . . A 33 LEU HA . 34570 1 285 . 1 . 1 33 33 LEU HB2 H 1 1.60 0 . . . . . . A 33 LEU HB2 . 34570 1 286 . 1 . 1 33 33 LEU HB3 H 1 1.60 0 . . . . . . A 33 LEU HB3 . 34570 1 287 . 1 . 1 33 33 LEU HG H 1 1.22 0 . . . . . . A 33 LEU HG . 34570 1 288 . 1 . 1 33 33 LEU HD11 H 1 0.81 0 . . . . . . A 33 LEU HD11 . 34570 1 289 . 1 . 1 33 33 LEU HD12 H 1 0.81 0 . . . . . . A 33 LEU HD12 . 34570 1 290 . 1 . 1 33 33 LEU HD13 H 1 0.81 0 . . . . . . A 33 LEU HD13 . 34570 1 291 . 1 . 1 33 33 LEU HD21 H 1 -0.05 0 . . . . . . A 33 LEU HD21 . 34570 1 292 . 1 . 1 33 33 LEU HD22 H 1 -0.05 0 . . . . . . A 33 LEU HD22 . 34570 1 293 . 1 . 1 33 33 LEU HD23 H 1 -0.05 0 . . . . . . A 33 LEU HD23 . 34570 1 294 . 1 . 1 33 33 LEU N N 15 128 0 . . . . . . A 33 LEU N . 34570 1 295 . 1 . 1 34 34 GLU H H 1 7.64 0 . . . . . . A 34 GLU H . 34570 1 296 . 1 . 1 34 34 GLU HA H 1 4.37 0 . . . . . . A 34 GLU HA . 34570 1 297 . 1 . 1 34 34 GLU HB2 H 1 1.75 0 . . . . . . A 34 GLU HB2 . 34570 1 298 . 1 . 1 34 34 GLU HB3 H 1 1.84 0 . . . . . . A 34 GLU HB3 . 34570 1 299 . 1 . 1 34 34 GLU HG2 H 1 2.25 0 . . . . . . A 34 GLU HG2 . 34570 1 300 . 1 . 1 34 34 GLU HG3 H 1 2.25 0 . . . . . . A 34 GLU HG3 . 34570 1 301 . 1 . 1 34 34 GLU CA C 13 55.3 0 . . . . . . A 34 GLU CA . 34570 1 302 . 1 . 1 34 34 GLU CB C 13 34.5 0 . . . . . . A 34 GLU CB . 34570 1 303 . 1 . 1 34 34 GLU N N 15 114.3 0 . . . . . . A 34 GLU N . 34570 1 304 . 1 . 1 35 35 GLN H H 1 8.39 0 . . . . . . A 35 GLN H . 34570 1 305 . 1 . 1 35 35 GLN HA H 1 3.05 0 . . . . . . A 35 GLN HA . 34570 1 306 . 1 . 1 35 35 GLN HB2 H 1 1.22 0 . . . . . . A 35 GLN HB2 . 34570 1 307 . 1 . 1 35 35 GLN HB3 H 1 1.22 0 . . . . . . A 35 GLN HB3 . 34570 1 308 . 1 . 1 35 35 GLN HG2 H 1 2.02 0 . . . . . . A 35 GLN HG2 . 34570 1 309 . 1 . 1 35 35 GLN HG3 H 1 2.02 0 . . . . . . A 35 GLN HG3 . 34570 1 310 . 1 . 1 35 35 GLN HE21 H 1 6.65 0 . . . . . . A 35 GLN HE21 . 34570 1 311 . 1 . 1 35 35 GLN HE22 H 1 6.27 0 . . . . . . A 35 GLN HE22 . 34570 1 312 . 1 . 1 35 35 GLN CA C 13 53.7 0 . . . . . . A 35 GLN CA . 34570 1 313 . 1 . 1 35 35 GLN CB C 13 29.6 0 . . . . . . A 35 GLN CB . 34570 1 314 . 1 . 1 35 35 GLN N N 15 122.5 0 . . . . . . A 35 GLN N . 34570 1 315 . 1 . 1 35 35 GLN NE2 N 15 111.5 0 . . . . . . A 35 GLN NE2 . 34570 1 316 . 1 . 1 36 36 HIS H H 1 6.95 0 . . . . . . A 36 HIS H . 34570 1 317 . 1 . 1 36 36 HIS HA H 1 4.88 0 . . . . . . A 36 HIS HA . 34570 1 318 . 1 . 1 36 36 HIS HB2 H 1 3.31 0 . . . . . . A 36 HIS HB2 . 34570 1 319 . 1 . 1 36 36 HIS HB3 H 1 3.28 0 . . . . . . A 36 HIS HB3 . 34570 1 320 . 1 . 1 36 36 HIS CA C 13 55.1 0 . . . . . . A 36 HIS CA . 34570 1 321 . 1 . 1 36 36 HIS CB C 13 32.6 0 . . . . . . A 36 HIS CB . 34570 1 322 . 1 . 1 36 36 HIS N N 15 121.2 0 . . . . . . A 36 HIS N . 34570 1 323 . 1 . 1 37 37 PRO HA H 1 4.54 0 . . . . . . A 37 PRO HA . 34570 1 324 . 1 . 1 37 37 PRO HB2 H 1 2.09 0 . . . . . . A 37 PRO HB2 . 34570 1 325 . 1 . 1 37 37 PRO HB3 H 1 2.09 0 . . . . . . A 37 PRO HB3 . 34570 1 326 . 1 . 1 37 37 PRO CA C 13 64.8 0 . . . . . . A 37 PRO CA . 34570 1 327 . 1 . 1 37 37 PRO CB C 13 32.0 0 . . . . . . A 37 PRO CB . 34570 1 328 . 1 . 1 38 38 ASP H H 1 8.58 0 . . . . . . A 38 ASP H . 34570 1 329 . 1 . 1 38 38 ASP HA H 1 4.52 0 . . . . . . A 38 ASP HA . 34570 1 330 . 1 . 1 38 38 ASP HB2 H 1 2.96 0 . . . . . . A 38 ASP HB2 . 34570 1 331 . 1 . 1 38 38 ASP HB3 H 1 2.68 0 . . . . . . A 38 ASP HB3 . 34570 1 332 . 1 . 1 38 38 ASP CA C 13 54.0 0 . . . . . . A 38 ASP CA . 34570 1 333 . 1 . 1 38 38 ASP CB C 13 39.8 0 . . . . . . A 38 ASP CB . 34570 1 334 . 1 . 1 38 38 ASP N N 15 117.7 0 . . . . . . A 38 ASP N . 34570 1 335 . 1 . 1 39 39 GLY H H 1 8.25 0 . . . . . . A 39 GLY H . 34570 1 336 . 1 . 1 39 39 GLY HA2 H 1 3.63 0 . . . . . . A 39 GLY HA2 . 34570 1 337 . 1 . 1 39 39 GLY HA3 H 1 4.17 0 . . . . . . A 39 GLY HA3 . 34570 1 338 . 1 . 1 39 39 GLY CA C 13 45.4 0 . . . . . . A 39 GLY CA . 34570 1 339 . 1 . 1 39 39 GLY N N 15 107 0 . . . . . . A 39 GLY N . 34570 1 340 . 1 . 1 40 40 ARG H H 1 8.23 0 . . . . . . A 40 ARG H . 34570 1 341 . 1 . 1 40 40 ARG HA H 1 4.53 0 . . . . . . A 40 ARG HA . 34570 1 342 . 1 . 1 40 40 ARG HB2 H 1 1.42 0 . . . . . . A 40 ARG HB2 . 34570 1 343 . 1 . 1 40 40 ARG HB3 H 1 1.42 0 . . . . . . A 40 ARG HB3 . 34570 1 344 . 1 . 1 40 40 ARG HG2 H 1 1.92 0 . . . . . . A 40 ARG HG2 . 34570 1 345 . 1 . 1 40 40 ARG HG3 H 1 1.80 0 . . . . . . A 40 ARG HG3 . 34570 1 346 . 1 . 1 40 40 ARG HD2 H 1 2.90 0 . . . . . . A 40 ARG HD2 . 34570 1 347 . 1 . 1 40 40 ARG HD3 H 1 2.90 0 . . . . . . A 40 ARG HD3 . 34570 1 348 . 1 . 1 40 40 ARG CA C 13 55.5 0 . . . . . . A 40 ARG CA . 34570 1 349 . 1 . 1 40 40 ARG CB C 13 29.1 0 . . . . . . A 40 ARG CB . 34570 1 350 . 1 . 1 40 40 ARG N N 15 123.5 0 . . . . . . A 40 ARG N . 34570 1 351 . 1 . 1 41 41 TRP H H 1 8.37 0 . . . . . . A 41 TRP H . 34570 1 352 . 1 . 1 41 41 TRP HA H 1 5.19 0 . . . . . . A 41 TRP HA . 34570 1 353 . 1 . 1 41 41 TRP HB2 H 1 2.95 0 . . . . . . A 41 TRP HB2 . 34570 1 354 . 1 . 1 41 41 TRP HB3 H 1 2.00 0 . . . . . . A 41 TRP HB3 . 34570 1 355 . 1 . 1 41 41 TRP HD1 H 1 7 0 . . . . . . A 41 TRP HD1 . 34570 1 356 . 1 . 1 41 41 TRP HE1 H 1 10.08 0 . . . . . . A 41 TRP HE1 . 34570 1 357 . 1 . 1 41 41 TRP HE3 H 1 7.16 0 . . . . . . A 41 TRP HE3 . 34570 1 358 . 1 . 1 41 41 TRP HZ2 H 1 7.23 0 . . . . . . A 41 TRP HZ2 . 34570 1 359 . 1 . 1 41 41 TRP HZ3 H 1 6.86 0 . . . . . . A 41 TRP HZ3 . 34570 1 360 . 1 . 1 41 41 TRP HH2 H 1 7.41 0 . . . . . . A 41 TRP HH2 . 34570 1 361 . 1 . 1 41 41 TRP CA C 13 54.4 0 . . . . . . A 41 TRP CA . 34570 1 362 . 1 . 1 41 41 TRP CB C 13 31.8 0 . . . . . . A 41 TRP CB . 34570 1 363 . 1 . 1 41 41 TRP N N 15 126.8 0 . . . . . . A 41 TRP N . 34570 1 364 . 1 . 1 41 41 TRP NE1 N 15 127.5 0.4 . . . . . . A 41 TRP NE1 . 34570 1 365 . 1 . 1 42 42 LYS H H 1 8.83 0 . . . . . . A 42 LYS H . 34570 1 366 . 1 . 1 42 42 LYS HA H 1 4.75 0 . . . . . . A 42 LYS HA . 34570 1 367 . 1 . 1 42 42 LYS HB2 H 1 1.52 0 . . . . . . A 42 LYS HB2 . 34570 1 368 . 1 . 1 42 42 LYS HB3 H 1 1.52 0 . . . . . . A 42 LYS HB3 . 34570 1 369 . 1 . 1 42 42 LYS N N 15 120.5 0 . . . . . . A 42 LYS N . 34570 1 370 . 1 . 1 43 43 GLY H H 1 9.68 0 . . . . . . A 43 GLY H . 34570 1 371 . 1 . 1 43 43 GLY HA2 H 1 3.67 0 . . . . . . A 43 GLY HA2 . 34570 1 372 . 1 . 1 43 43 GLY HA3 H 1 5.35 0 . . . . . . A 43 GLY HA3 . 34570 1 373 . 1 . 1 43 43 GLY CA C 13 45.4 0 . . . . . . A 43 GLY CA . 34570 1 374 . 1 . 1 43 43 GLY N N 15 114.2 0 . . . . . . A 43 GLY N . 34570 1 375 . 1 . 1 44 44 CYS H H 1 8.96 0 . . . . . . A 44 CYS H . 34570 1 376 . 1 . 1 44 44 CYS HA H 1 5.81 0 . . . . . . A 44 CYS HA . 34570 1 377 . 1 . 1 44 44 CYS HB2 H 1 2.74 0 . . . . . . A 44 CYS HB2 . 34570 1 378 . 1 . 1 44 44 CYS HB3 H 1 2.74 0 . . . . . . A 44 CYS HB3 . 34570 1 379 . 1 . 1 44 44 CYS CA C 13 55.2 0 . . . . . . A 44 CYS CA . 34570 1 380 . 1 . 1 44 44 CYS CB C 13 30.7 0 . . . . . . A 44 CYS CB . 34570 1 381 . 1 . 1 44 44 CYS N N 15 116.8 0 . . . . . . A 44 CYS N . 34570 1 382 . 1 . 1 45 45 ILE H H 1 9.23 0 . . . . . . A 45 ILE H . 34570 1 383 . 1 . 1 45 45 ILE HA H 1 4.47 0 . . . . . . A 45 ILE HA . 34570 1 384 . 1 . 1 45 45 ILE HG21 H 1 0.88 0 . . . . . . A 45 ILE HG21 . 34570 1 385 . 1 . 1 45 45 ILE HG22 H 1 0.88 0 . . . . . . A 45 ILE HG22 . 34570 1 386 . 1 . 1 45 45 ILE HG23 H 1 0.88 0 . . . . . . A 45 ILE HG23 . 34570 1 387 . 1 . 1 45 45 ILE HD11 H 1 0.88 0 . . . . . . A 45 ILE HD11 . 34570 1 388 . 1 . 1 45 45 ILE HD12 H 1 0.88 0 . . . . . . A 45 ILE HD12 . 34570 1 389 . 1 . 1 45 45 ILE HD13 H 1 0.88 0 . . . . . . A 45 ILE HD13 . 34570 1 390 . 1 . 1 45 45 ILE N N 15 121.9 0 . . . . . . A 45 ILE N . 34570 1 391 . 1 . 1 46 46 HIS H H 1 9.13 0 . . . . . . A 46 HIS H . 34570 1 392 . 1 . 1 46 46 HIS HA H 1 5.00 0 . . . . . . A 46 HIS HA . 34570 1 393 . 1 . 1 46 46 HIS HB2 H 1 3.08 0 . . . . . . A 46 HIS HB2 . 34570 1 394 . 1 . 1 46 46 HIS HB3 H 1 3.08 0 . . . . . . A 46 HIS HB3 . 34570 1 395 . 1 . 1 46 46 HIS CA C 13 55.4 0 . . . . . . A 46 HIS CA . 34570 1 396 . 1 . 1 46 46 HIS CB C 13 29.7 0 . . . . . . A 46 HIS CB . 34570 1 397 . 1 . 1 46 46 HIS N N 15 127.3 0 . . . . . . A 46 HIS N . 34570 1 398 . 1 . 1 47 47 ASP H H 1 8.34 0 . . . . . . A 47 ASP H . 34570 1 399 . 1 . 1 47 47 ASP HA H 1 4.69 0 . . . . . . A 47 ASP HA . 34570 1 400 . 1 . 1 47 47 ASP HB2 H 1 3.06 0 . . . . . . A 47 ASP HB2 . 34570 1 401 . 1 . 1 47 47 ASP HB3 H 1 2.42 0 . . . . . . A 47 ASP HB3 . 34570 1 402 . 1 . 1 47 47 ASP CA C 13 53.0 0 . . . . . . A 47 ASP CA . 34570 1 403 . 1 . 1 47 47 ASP CB C 13 42.5 0 . . . . . . A 47 ASP CB . 34570 1 404 . 1 . 1 47 47 ASP N N 15 127.8 0 . . . . . . A 47 ASP N . 34570 1 405 . 1 . 1 48 48 ASN H H 1 8.94 0 . . . . . . A 48 ASN H . 34570 1 406 . 1 . 1 48 48 ASN HA H 1 4.40 0 . . . . . . A 48 ASN HA . 34570 1 407 . 1 . 1 48 48 ASN HB2 H 1 2.86 0 . . . . . . A 48 ASN HB2 . 34570 1 408 . 1 . 1 48 48 ASN HB3 H 1 2.86 0 . . . . . . A 48 ASN HB3 . 34570 1 409 . 1 . 1 48 48 ASN HD21 H 1 7.7 0 . . . . . . A 48 ASN HD21 . 34570 1 410 . 1 . 1 48 48 ASN HD22 H 1 7.03 0 . . . . . . A 48 ASN HD22 . 34570 1 411 . 1 . 1 48 48 ASN CA C 13 55.3 0 . . . . . . A 48 ASN CA . 34570 1 412 . 1 . 1 48 48 ASN CB C 13 38.6 0 . . . . . . A 48 ASN CB . 34570 1 413 . 1 . 1 48 48 ASN N N 15 123.8 0 . . . . . . A 48 ASN N . 34570 1 414 . 1 . 1 48 48 ASN ND2 N 15 112.6 0 . . . . . . A 48 ASN ND2 . 34570 1 415 . 1 . 1 49 49 ARG H H 1 8.66 0 . . . . . . A 49 ARG H . 34570 1 416 . 1 . 1 49 49 ARG HA H 1 4.25 0 . . . . . . A 49 ARG HA . 34570 1 417 . 1 . 1 49 49 ARG HB2 H 1 1.99 0 . . . . . . A 49 ARG HB2 . 34570 1 418 . 1 . 1 49 49 ARG HB3 H 1 1.99 0 . . . . . . A 49 ARG HB3 . 34570 1 419 . 1 . 1 49 49 ARG HG2 H 1 1.66 0 . . . . . . A 49 ARG HG2 . 34570 1 420 . 1 . 1 49 49 ARG HG3 H 1 1.66 0 . . . . . . A 49 ARG HG3 . 34570 1 421 . 1 . 1 49 49 ARG HD2 H 1 3.25 0 . . . . . . A 49 ARG HD2 . 34570 1 422 . 1 . 1 49 49 ARG HD3 H 1 3.25 0 . . . . . . A 49 ARG HD3 . 34570 1 423 . 1 . 1 49 49 ARG CA C 13 58.6 0 . . . . . . A 49 ARG CA . 34570 1 424 . 1 . 1 49 49 ARG CB C 13 30.4 0 . . . . . . A 49 ARG CB . 34570 1 425 . 1 . 1 49 49 ARG N N 15 118.8 0 . . . . . . A 49 ARG N . 34570 1 426 . 1 . 1 50 50 THR H H 1 7.57 0 . . . . . . A 50 THR H . 34570 1 427 . 1 . 1 50 50 THR HA H 1 4.33 0 . . . . . . A 50 THR HA . 34570 1 428 . 1 . 1 50 50 THR HB H 1 4.31 0 . . . . . . A 50 THR HB . 34570 1 429 . 1 . 1 50 50 THR HG21 H 1 1.168 0 . . . . . . A 50 THR HG21 . 34570 1 430 . 1 . 1 50 50 THR HG22 H 1 1.168 0 . . . . . . A 50 THR HG22 . 34570 1 431 . 1 . 1 50 50 THR HG23 H 1 1.168 0 . . . . . . A 50 THR HG23 . 34570 1 432 . 1 . 1 50 50 THR CA C 13 61.5 0 . . . . . . A 50 THR CA . 34570 1 433 . 1 . 1 50 50 THR CB C 13 70.6 0 . . . . . . A 50 THR CB . 34570 1 434 . 1 . 1 50 50 THR N N 15 105.8 0 . . . . . . A 50 THR N . 34570 1 435 . 1 . 1 51 51 GLY H H 1 8.16 0 . . . . . . A 51 GLY H . 34570 1 436 . 1 . 1 51 51 GLY HA2 H 1 3.62 0 . . . . . . A 51 GLY HA2 . 34570 1 437 . 1 . 1 51 51 GLY HA3 H 1 4.20 0 . . . . . . A 51 GLY HA3 . 34570 1 438 . 1 . 1 51 51 GLY CA C 13 45.7 0 . . . . . . A 51 GLY CA . 34570 1 439 . 1 . 1 51 51 GLY N N 15 110.2 0 . . . . . . A 51 GLY N . 34570 1 440 . 1 . 1 52 52 ASN H H 1 7.68 0 . . . . . . A 52 ASN H . 34570 1 441 . 1 . 1 52 52 ASN HA H 1 4.82 0 . . . . . . A 52 ASN HA . 34570 1 442 . 1 . 1 52 52 ASN HB2 H 1 2.65 0 . . . . . . A 52 ASN HB2 . 34570 1 443 . 1 . 1 52 52 ASN HB3 H 1 2.65 0 . . . . . . A 52 ASN HB3 . 34570 1 444 . 1 . 1 52 52 ASN HD21 H 1 7.35 0 . . . . . . A 52 ASN HD21 . 34570 1 445 . 1 . 1 52 52 ASN HD22 H 1 6.97 0 . . . . . . A 52 ASN HD22 . 34570 1 446 . 1 . 1 52 52 ASN CA C 13 52.4 0 . . . . . . A 52 ASN CA . 34570 1 447 . 1 . 1 52 52 ASN CB C 13 40.3 0 . . . . . . A 52 ASN CB . 34570 1 448 . 1 . 1 52 52 ASN N N 15 117.1 0 . . . . . . A 52 ASN N . 34570 1 449 . 1 . 1 52 52 ASN ND2 N 15 111.8 0 . . . . . . A 52 ASN ND2 . 34570 1 450 . 1 . 1 53 53 ASP H H 1 8.51 0 . . . . . . A 53 ASP H . 34570 1 451 . 1 . 1 53 53 ASP HA H 1 5.35 0 . . . . . . A 53 ASP HA . 34570 1 452 . 1 . 1 53 53 ASP HB2 H 1 2.47 0 . . . . . . A 53 ASP HB2 . 34570 1 453 . 1 . 1 53 53 ASP HB3 H 1 2.47 0 . . . . . . A 53 ASP HB3 . 34570 1 454 . 1 . 1 53 53 ASP CA C 13 54.0 0 . . . . . . A 53 ASP CA . 34570 1 455 . 1 . 1 53 53 ASP CB C 13 43.2 0 . . . . . . A 53 ASP CB . 34570 1 456 . 1 . 1 53 53 ASP N N 15 120.4 0 . . . . . . A 53 ASP N . 34570 1 457 . 1 . 1 54 54 ARG H H 1 8.81 0 . . . . . . A 54 ARG H . 34570 1 458 . 1 . 1 54 54 ARG HA H 1 4.69 0 . . . . . . A 54 ARG HA . 34570 1 459 . 1 . 1 54 54 ARG HB2 H 1 1.73 0 . . . . . . A 54 ARG HB2 . 34570 1 460 . 1 . 1 54 54 ARG HB3 H 1 1.73 0 . . . . . . A 54 ARG HB3 . 34570 1 461 . 1 . 1 54 54 ARG HD2 H 1 3.32 0 . . . . . . A 54 ARG HD2 . 34570 1 462 . 1 . 1 54 54 ARG HD3 H 1 3.32 0 . . . . . . A 54 ARG HD3 . 34570 1 463 . 1 . 1 54 54 ARG CA C 13 55.6 0 . . . . . . A 54 ARG CA . 34570 1 464 . 1 . 1 54 54 ARG CB C 13 32.7 0 . . . . . . A 54 ARG CB . 34570 1 465 . 1 . 1 54 54 ARG N N 15 122.6 0 . . . . . . A 54 ARG N . 34570 1 466 . 1 . 1 55 55 VAL H H 1 8.59 0 . . . . . . A 55 VAL H . 34570 1 467 . 1 . 1 55 55 VAL HA H 1 5.32 0 . . . . . . A 55 VAL HA . 34570 1 468 . 1 . 1 55 55 VAL HB H 1 1.89 0 . . . . . . A 55 VAL HB . 34570 1 469 . 1 . 1 55 55 VAL HG11 H 1 0.86 0 . . . . . . A 55 VAL HG11 . 34570 1 470 . 1 . 1 55 55 VAL HG12 H 1 0.86 0 . . . . . . A 55 VAL HG12 . 34570 1 471 . 1 . 1 55 55 VAL HG13 H 1 0.86 0 . . . . . . A 55 VAL HG13 . 34570 1 472 . 1 . 1 55 55 VAL HG21 H 1 0.37 0 . . . . . . A 55 VAL HG21 . 34570 1 473 . 1 . 1 55 55 VAL HG22 H 1 0.37 0 . . . . . . A 55 VAL HG22 . 34570 1 474 . 1 . 1 55 55 VAL HG23 H 1 0.37 0 . . . . . . A 55 VAL HG23 . 34570 1 475 . 1 . 1 55 55 VAL CA C 13 59.8 0 . . . . . . A 55 VAL CA . 34570 1 476 . 1 . 1 55 55 VAL CB C 13 35.4 0 . . . . . . A 55 VAL CB . 34570 1 477 . 1 . 1 55 55 VAL N N 15 120.6 0 . . . . . . A 55 VAL N . 34570 1 478 . 1 . 1 56 56 GLY H H 1 8.67 0 . . . . . . A 56 GLY H . 34570 1 479 . 1 . 1 56 56 GLY HA2 H 1 4.08 0 . . . . . . A 56 GLY HA2 . 34570 1 480 . 1 . 1 56 56 GLY HA3 H 1 4.08 0 . . . . . . A 56 GLY HA3 . 34570 1 481 . 1 . 1 56 56 GLY CA C 13 45.5 0 . . . . . . A 56 GLY CA . 34570 1 482 . 1 . 1 56 56 GLY N N 15 111.2 0 . . . . . . A 56 GLY N . 34570 1 483 . 1 . 1 57 57 TYR H H 1 8.93 0 . . . . . . A 57 TYR H . 34570 1 484 . 1 . 1 57 57 TYR HA H 1 5.97 0 . . . . . . A 57 TYR HA . 34570 1 485 . 1 . 1 57 57 TYR HB2 H 1 2.80 0 . . . . . . A 57 TYR HB2 . 34570 1 486 . 1 . 1 57 57 TYR HB3 H 1 2.80 0 . . . . . . A 57 TYR HB3 . 34570 1 487 . 1 . 1 57 57 TYR CA C 13 58.1 0 . . . . . . A 57 TYR CA . 34570 1 488 . 1 . 1 57 57 TYR CB C 13 40.6 0 . . . . . . A 57 TYR CB . 34570 1 489 . 1 . 1 57 57 TYR N N 15 119.8 0 . . . . . . A 57 TYR N . 34570 1 490 . 1 . 1 58 58 PHE H H 1 9.61 0 . . . . . . A 58 PHE H . 34570 1 491 . 1 . 1 58 58 PHE HA H 1 5.04 0 . . . . . . A 58 PHE HA . 34570 1 492 . 1 . 1 58 58 PHE HB2 H 1 3.02 0 . . . . . . A 58 PHE HB2 . 34570 1 493 . 1 . 1 58 58 PHE HB3 H 1 2.63 0 . . . . . . A 58 PHE HB3 . 34570 1 494 . 1 . 1 58 58 PHE HD1 H 1 7.59 0 . . . . . . A 58 PHE HD1 . 34570 1 495 . 1 . 1 58 58 PHE HD2 H 1 7.59 0 . . . . . . A 58 PHE HD2 . 34570 1 496 . 1 . 1 58 58 PHE HE1 H 1 7.75 0 . . . . . . A 58 PHE HE1 . 34570 1 497 . 1 . 1 58 58 PHE HE2 H 1 7.75 0 . . . . . . A 58 PHE HE2 . 34570 1 498 . 1 . 1 58 58 PHE CA C 13 55.0 0 . . . . . . A 58 PHE CA . 34570 1 499 . 1 . 1 58 58 PHE CB C 13 39.6 0 . . . . . . A 58 PHE CB . 34570 1 500 . 1 . 1 58 58 PHE N N 15 119.5 0 . . . . . . A 58 PHE N . 34570 1 501 . 1 . 1 60 60 SER HA H 1 4.08 0 . . . . . . A 60 SER HA . 34570 1 502 . 1 . 1 60 60 SER HB2 H 1 3.87 0 . . . . . . A 60 SER HB2 . 34570 1 503 . 1 . 1 60 60 SER HB3 H 1 3.87 0 . . . . . . A 60 SER HB3 . 34570 1 504 . 1 . 1 60 60 SER CA C 13 60.3 0 . . . . . . A 60 SER CA . 34570 1 505 . 1 . 1 60 60 SER CB C 13 60.0 0 . . . . . . A 60 SER CB . 34570 1 506 . 1 . 1 61 61 SER H H 1 7.56 0 . . . . . . A 61 SER H . 34570 1 507 . 1 . 1 61 61 SER HA H 1 4.11 0 . . . . . . A 61 SER HA . 34570 1 508 . 1 . 1 61 61 SER HB2 H 1 3.95 0 . . . . . . A 61 SER HB2 . 34570 1 509 . 1 . 1 61 61 SER HB3 H 1 3.75 0 . . . . . . A 61 SER HB3 . 34570 1 510 . 1 . 1 61 61 SER CA C 13 59.1 0 . . . . . . A 61 SER CA . 34570 1 511 . 1 . 1 61 61 SER CB C 13 62.7 0 . . . . . . A 61 SER CB . 34570 1 512 . 1 . 1 61 61 SER N N 15 114.9 0 . . . . . . A 61 SER N . 34570 1 513 . 1 . 1 62 62 LEU H H 1 7.78 0 . . . . . . A 62 LEU H . 34570 1 514 . 1 . 1 62 62 LEU HA H 1 4.23 0 . . . . . . A 62 LEU HA . 34570 1 515 . 1 . 1 62 62 LEU HB2 H 1 2.06 0 . . . . . . A 62 LEU HB2 . 34570 1 516 . 1 . 1 62 62 LEU HB3 H 1 1.75 0 . . . . . . A 62 LEU HB3 . 34570 1 517 . 1 . 1 62 62 LEU HG H 1 1.75 0 . . . . . . A 62 LEU HG . 34570 1 518 . 1 . 1 62 62 LEU HD11 H 1 0.84 0 . . . . . . A 62 LEU HD11 . 34570 1 519 . 1 . 1 62 62 LEU HD12 H 1 0.84 0 . . . . . . A 62 LEU HD12 . 34570 1 520 . 1 . 1 62 62 LEU HD13 H 1 0.84 0 . . . . . . A 62 LEU HD13 . 34570 1 521 . 1 . 1 62 62 LEU HD21 H 1 0.84 0 . . . . . . A 62 LEU HD21 . 34570 1 522 . 1 . 1 62 62 LEU HD22 H 1 0.84 0 . . . . . . A 62 LEU HD22 . 34570 1 523 . 1 . 1 62 62 LEU HD23 H 1 0.84 0 . . . . . . A 62 LEU HD23 . 34570 1 524 . 1 . 1 62 62 LEU N N 15 120.2 0 . . . . . . A 62 LEU N . 34570 1 525 . 1 . 1 63 63 GLY H H 1 7.74 0 . . . . . . A 63 GLY H . 34570 1 526 . 1 . 1 63 63 GLY HA2 H 1 3.31 0 . . . . . . A 63 GLY HA2 . 34570 1 527 . 1 . 1 63 63 GLY HA3 H 1 4.69 0 . . . . . . A 63 GLY HA3 . 34570 1 528 . 1 . 1 63 63 GLY CA C 13 44.8 0 . . . . . . A 63 GLY CA . 34570 1 529 . 1 . 1 63 63 GLY N N 15 103.1 0 . . . . . . A 63 GLY N . 34570 1 530 . 1 . 1 64 64 GLU H H 1 8.73 0 . . . . . . A 64 GLU H . 34570 1 531 . 1 . 1 64 64 GLU HA H 1 4.71 0 . . . . . . A 64 GLU HA . 34570 1 532 . 1 . 1 64 64 GLU HB2 H 1 1.99 0 . . . . . . A 64 GLU HB2 . 34570 1 533 . 1 . 1 64 64 GLU HB3 H 1 1.99 0 . . . . . . A 64 GLU HB3 . 34570 1 534 . 1 . 1 64 64 GLU HG2 H 1 2.31 0 . . . . . . A 64 GLU HG2 . 34570 1 535 . 1 . 1 64 64 GLU HG3 H 1 2.31 0 . . . . . . A 64 GLU HG3 . 34570 1 536 . 1 . 1 64 64 GLU CA C 13 54.0 0 . . . . . . A 64 GLU CA . 34570 1 537 . 1 . 1 64 64 GLU CB C 13 32.3 0 . . . . . . A 64 GLU CB . 34570 1 538 . 1 . 1 64 64 GLU N N 15 122.5 0 . . . . . . A 64 GLU N . 34570 1 539 . 1 . 1 65 65 ALA H H 1 8.75 0 . . . . . . A 65 ALA H . 34570 1 540 . 1 . 1 65 65 ALA HA H 1 4.49 0 . . . . . . A 65 ALA HA . 34570 1 541 . 1 . 1 65 65 ALA HB1 H 1 1.45 0 . . . . . . A 65 ALA HB1 . 34570 1 542 . 1 . 1 65 65 ALA HB2 H 1 1.45 0 . . . . . . A 65 ALA HB2 . 34570 1 543 . 1 . 1 65 65 ALA HB3 H 1 1.45 0 . . . . . . A 65 ALA HB3 . 34570 1 544 . 1 . 1 65 65 ALA CA C 13 53.2 0 . . . . . . A 65 ALA CA . 34570 1 545 . 1 . 1 65 65 ALA CB C 13 19.0 0 . . . . . . A 65 ALA CB . 34570 1 546 . 1 . 1 65 65 ALA N N 15 125.8 0 . . . . . . A 65 ALA N . 34570 1 547 . 1 . 1 66 66 ILE H H 1 8.45 0 . . . . . . A 66 ILE H . 34570 1 548 . 1 . 1 66 66 ILE HA H 1 4.15 0 . . . . . . A 66 ILE HA . 34570 1 549 . 1 . 1 66 66 ILE HB H 1 1.83 0 . . . . . . A 66 ILE HB . 34570 1 550 . 1 . 1 66 66 ILE HG12 H 1 1.83 0 . . . . . . A 66 ILE HG12 . 34570 1 551 . 1 . 1 66 66 ILE HG13 H 1 1.83 0 . . . . . . A 66 ILE HG13 . 34570 1 552 . 1 . 1 66 66 ILE HG21 H 1 0.94 0 . . . . . . A 66 ILE HG21 . 34570 1 553 . 1 . 1 66 66 ILE HG22 H 1 0.94 0 . . . . . . A 66 ILE HG22 . 34570 1 554 . 1 . 1 66 66 ILE HG23 H 1 0.94 0 . . . . . . A 66 ILE HG23 . 34570 1 555 . 1 . 1 66 66 ILE HD11 H 1 0.94 0 . . . . . . A 66 ILE HD11 . 34570 1 556 . 1 . 1 66 66 ILE HD12 H 1 0.94 0 . . . . . . A 66 ILE HD12 . 34570 1 557 . 1 . 1 66 66 ILE HD13 H 1 0.94 0 . . . . . . A 66 ILE HD13 . 34570 1 558 . 1 . 1 66 66 ILE N N 15 121.9 0 . . . . . . A 66 ILE N . 34570 1 559 . 1 . 1 67 67 VAL H H 1 7.78 0 . . . . . . A 67 VAL H . 34570 1 560 . 1 . 1 67 67 VAL HA H 1 4.13 0 . . . . . . A 67 VAL HA . 34570 1 561 . 1 . 1 67 67 VAL HB H 1 2.08 0 . . . . . . A 67 VAL HB . 34570 1 562 . 1 . 1 67 67 VAL HG11 H 1 0.90 0 . . . . . . A 67 VAL HG11 . 34570 1 563 . 1 . 1 67 67 VAL HG12 H 1 0.90 0 . . . . . . A 67 VAL HG12 . 34570 1 564 . 1 . 1 67 67 VAL HG13 H 1 0.90 0 . . . . . . A 67 VAL HG13 . 34570 1 565 . 1 . 1 67 67 VAL HG21 H 1 0.90 0 . . . . . . A 67 VAL HG21 . 34570 1 566 . 1 . 1 67 67 VAL HG22 H 1 0.90 0 . . . . . . A 67 VAL HG22 . 34570 1 567 . 1 . 1 67 67 VAL HG23 H 1 0.90 0 . . . . . . A 67 VAL HG23 . 34570 1 568 . 1 . 1 67 67 VAL CA C 13 63.5 0 . . . . . . A 67 VAL CA . 34570 1 569 . 1 . 1 67 67 VAL CB C 13 33.6 0 . . . . . . A 67 VAL CB . 34570 1 570 . 1 . 1 67 67 VAL N N 15 128.6 0 . . . . . . A 67 VAL N . 34570 1 stop_ save_