################################### # 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 50543 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name chemical_shift_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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.001 _Assigned_chem_shift_list.Chem_shift_13C_err 0.03 _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _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' . . . 50543 1 2 '3D HNCACB' . . . 50543 1 3 '3D CBCACONH' . . . 50543 1 4 '3D HBHA(CO)NH' . . . 50543 1 5 '3D CC-TOCSY-NNH' . . . 50543 1 6 '3D HCC-TOCSY-NNH' . . . 50543 1 7 '3D g-HCCH-TOCSY' . . . 50543 1 8 '3D 15N-NOESY-HSQC' . . . 50543 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 50543 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 0.01 . 1 . . . . . 2 S HA . 50543 1 2 . 1 . 1 2 2 SER HB2 H 1 3.81 0.01 . 1 . . . . . 2 S HB2 . 50543 1 3 . 1 . 1 2 2 SER HB3 H 1 3.81 0.01 . 1 . . . . . 2 S HB3 . 50543 1 4 . 1 . 1 2 2 SER CA C 13 58.30 0.1 . 1 . . . . . 2 S CA . 50543 1 5 . 1 . 1 2 2 SER CB C 13 63.80 0.1 . 1 . . . . . 2 S CB . 50543 1 6 . 1 . 1 3 3 HIS H H 1 8.51 0.01 . 1 . . . . . 3 H HN . 50543 1 7 . 1 . 1 3 3 HIS HA H 1 4.64 0.01 . 1 . . . . . 3 H HA . 50543 1 8 . 1 . 1 3 3 HIS HB2 H 1 3.08 0.01 . 1 . . . . . 3 H HB2 . 50543 1 9 . 1 . 1 3 3 HIS HB3 H 1 3.08 0.01 . 1 . . . . . 3 H HB3 . 50543 1 10 . 1 . 1 3 3 HIS CA C 13 56.20 0.1 . 1 . . . . . 3 H CA . 50543 1 11 . 1 . 1 3 3 HIS CB C 13 30.60 0.1 . 1 . . . . . 3 H CB . 50543 1 12 . 1 . 1 3 3 HIS N N 15 121.10 0.1 . 1 . . . . . 3 H N . 50543 1 13 . 1 . 1 4 4 MET H H 1 8.23 0.01 . 1 . . . . . 4 M HN . 50543 1 14 . 1 . 1 4 4 MET HA H 1 4.40 0.01 . 1 . . . . . 4 M HA . 50543 1 15 . 1 . 1 4 4 MET HB2 H 1 1.83 0.01 . 1 . . . . . 4 M HB2 . 50543 1 16 . 1 . 1 4 4 MET HB3 H 1 1.83 0.01 . 1 . . . . . 4 M HB3 . 50543 1 17 . 1 . 1 4 4 MET HG2 H 1 2.42 0.01 . 1 . . . . . 4 M HG2 . 50543 1 18 . 1 . 1 4 4 MET HG3 H 1 2.42 0.01 . 1 . . . . . 4 M HG3 . 50543 1 19 . 1 . 1 4 4 MET CA C 13 55.30 0.1 . 1 . . . . . 4 M CA . 50543 1 20 . 1 . 1 4 4 MET CB C 13 33.40 0.1 . 1 . . . . . 4 M CB . 50543 1 21 . 1 . 1 4 4 MET N N 15 122.00 0.1 . 1 . . . . . 4 M N . 50543 1 22 . 1 . 1 5 5 LEU H H 1 8.53 0.01 . 1 . . . . . 5 L HN . 50543 1 23 . 1 . 1 5 5 LEU HA H 1 4.39 0.01 . 1 . . . . . 5 L HA . 50543 1 24 . 1 . 1 5 5 LEU HB2 H 1 1.64 0.01 . 2 . . . . . 5 L HB2 . 50543 1 25 . 1 . 1 5 5 LEU HB3 H 1 1.00 0.01 . 2 . . . . . 5 L HB3 . 50543 1 26 . 1 . 1 5 5 LEU HD11 H 1 0.93 0.01 . 2 . . . . . 5 L HD11 . 50543 1 27 . 1 . 1 5 5 LEU HD12 H 1 0.93 0.01 . 2 . . . . . 5 L HD12 . 50543 1 28 . 1 . 1 5 5 LEU HD13 H 1 0.93 0.01 . 2 . . . . . 5 L HD13 . 50543 1 29 . 1 . 1 5 5 LEU HD21 H 1 0.81 0.01 . 2 . . . . . 5 L HD21 . 50543 1 30 . 1 . 1 5 5 LEU HD22 H 1 0.81 0.01 . 2 . . . . . 5 L HD22 . 50543 1 31 . 1 . 1 5 5 LEU HD23 H 1 0.81 0.01 . 2 . . . . . 5 L HD23 . 50543 1 32 . 1 . 1 5 5 LEU CA C 13 55.80 0.1 . 1 . . . . . 5 L CA . 50543 1 33 . 1 . 1 5 5 LEU N N 15 125.20 0.1 . 1 . . . . . 5 L N . 50543 1 34 . 1 . 1 6 6 GLN H H 1 8.52 0.01 . 1 . . . . . 6 Q HN . 50543 1 35 . 1 . 1 6 6 GLN HA H 1 5.60 0.01 . 1 . . . . . 6 Q HA . 50543 1 36 . 1 . 1 6 6 GLN HB2 H 1 1.92 0.01 . 2 . . . . . 6 Q HB2 . 50543 1 37 . 1 . 1 6 6 GLN HB3 H 1 1.66 0.01 . 2 . . . . . 6 Q HB3 . 50543 1 38 . 1 . 1 6 6 GLN HG2 H 1 2.29 0.01 . 1 . . . . . 6 Q HG2 . 50543 1 39 . 1 . 1 6 6 GLN HG3 H 1 2.29 0.01 . 1 . . . . . 6 Q HG3 . 50543 1 40 . 1 . 1 6 6 GLN HE21 H 1 7.18 0.01 . 2 . . . . . 6 Q HE21 . 50543 1 41 . 1 . 1 6 6 GLN HE22 H 1 6.79 0.01 . 2 . . . . . 6 Q HE22 . 50543 1 42 . 1 . 1 6 6 GLN CA C 13 53.90 0.1 . 1 . . . . . 6 Q CA . 50543 1 43 . 1 . 1 6 6 GLN CB C 13 33.10 0.1 . 1 . . . . . 6 Q CB . 50543 1 44 . 1 . 1 6 6 GLN N N 15 122.50 0.1 . 1 . . . . . 6 Q N . 50543 1 45 . 1 . 1 6 6 GLN NE2 N 15 111.50 0.1 . 1 . . . . . 6 Q NE2 . 50543 1 46 . 1 . 1 7 7 VAL H H 1 8.97 0.01 . 1 . . . . . 7 V HN . 50543 1 47 . 1 . 1 7 7 VAL HA H 1 4.97 0.01 . 1 . . . . . 7 V HA . 50543 1 48 . 1 . 1 7 7 VAL HB H 1 1.84 0.01 . 1 . . . . . 7 V HB . 50543 1 49 . 1 . 1 7 7 VAL HG11 H 1 0.88 0.01 . 1 . . . . . 7 V HG11 . 50543 1 50 . 1 . 1 7 7 VAL HG12 H 1 0.88 0.01 . 1 . . . . . 7 V HG12 . 50543 1 51 . 1 . 1 7 7 VAL HG13 H 1 0.88 0.01 . 1 . . . . . 7 V HG13 . 50543 1 52 . 1 . 1 7 7 VAL HG21 H 1 0.88 0.01 . 1 . . . . . 7 V HG21 . 50543 1 53 . 1 . 1 7 7 VAL HG22 H 1 0.88 0.01 . 1 . . . . . 7 V HG22 . 50543 1 54 . 1 . 1 7 7 VAL HG23 H 1 0.88 0.01 . 1 . . . . . 7 V HG23 . 50543 1 55 . 1 . 1 7 7 VAL CA C 13 58.30 0.1 . 1 . . . . . 7 V CA . 50543 1 56 . 1 . 1 7 7 VAL CB C 13 35.50 0.1 . 1 . . . . . 7 V CB . 50543 1 57 . 1 . 1 7 7 VAL N N 15 112.00 0.1 . 1 . . . . . 7 V N . 50543 1 58 . 1 . 1 8 8 ARG H H 1 9.06 0.01 . 1 . . . . . 8 R HN . 50543 1 59 . 1 . 1 8 8 ARG HA H 1 5.13 0.01 . 1 . . . . . 8 R HA . 50543 1 60 . 1 . 1 8 8 ARG HB2 H 1 1.77 0.01 . 2 . . . . . 8 R HB2 . 50543 1 61 . 1 . 1 8 8 ARG HB3 H 1 1.83 0.01 . 2 . . . . . 8 R HB3 . 50543 1 62 . 1 . 1 8 8 ARG HG2 H 1 1.39 0.01 . 2 . . . . . 8 R HG2 . 50543 1 63 . 1 . 1 8 8 ARG HG3 H 1 1.50 0.01 . 2 . . . . . 8 R HG3 . 50543 1 64 . 1 . 1 8 8 ARG HD2 H 1 3.21 0.01 . 2 . . . . . 8 R HD2 . 50543 1 65 . 1 . 1 8 8 ARG HD3 H 1 3.26 0.01 . 2 . . . . . 8 R HD3 . 50543 1 66 . 1 . 1 8 8 ARG CA C 13 53.50 0.1 . 1 . . . . . 8 R CA . 50543 1 67 . 1 . 1 8 8 ARG CB C 13 32.50 0.1 . 1 . . . . . 8 R CB . 50543 1 68 . 1 . 1 8 8 ARG N N 15 122.10 0.1 . 1 . . . . . 8 R N . 50543 1 69 . 1 . 1 9 9 ALA H H 1 9.21 0.01 . 1 . . . . . 9 A HN . 50543 1 70 . 1 . 1 9 9 ALA HA H 1 4.52 0.01 . 1 . . . . . 9 A HA . 50543 1 71 . 1 . 1 9 9 ALA HB1 H 1 1.41 0.01 . 1 . . . . . 9 A HB1 . 50543 1 72 . 1 . 1 9 9 ALA HB2 H 1 1.41 0.01 . 1 . . . . . 9 A HB2 . 50543 1 73 . 1 . 1 9 9 ALA HB3 H 1 1.41 0.01 . 1 . . . . . 9 A HB3 . 50543 1 74 . 1 . 1 9 9 ALA CA C 13 52.30 0.1 . 1 . . . . . 9 A CA . 50543 1 75 . 1 . 1 9 9 ALA CB C 13 20.40 0.1 . 1 . . . . . 9 A CB . 50543 1 76 . 1 . 1 9 9 ALA N N 15 128.70 0.1 . 1 . . . . . 9 A N . 50543 1 77 . 1 . 1 10 10 THR H H 1 9.36 0.01 . 1 . . . . . 10 T HN . 50543 1 78 . 1 . 1 10 10 THR HA H 1 4.29 0.01 . 1 . . . . . 10 T HA . 50543 1 79 . 1 . 1 10 10 THR HB H 1 4.42 0.01 . 1 . . . . . 10 T HB . 50543 1 80 . 1 . 1 10 10 THR HG21 H 1 1.27 0.01 . 1 . . . . . 10 T HG21 . 50543 1 81 . 1 . 1 10 10 THR HG22 H 1 1.27 0.01 . 1 . . . . . 10 T HG22 . 50543 1 82 . 1 . 1 10 10 THR HG23 H 1 1.27 0.01 . 1 . . . . . 10 T HG23 . 50543 1 83 . 1 . 1 10 10 THR CA C 13 62.60 0.1 . 1 . . . . . 10 T CA . 50543 1 84 . 1 . 1 10 10 THR CB C 13 69.50 0.1 . 1 . . . . . 10 T CB . 50543 1 85 . 1 . 1 10 10 THR N N 15 115.50 0.1 . 1 . . . . . 10 T N . 50543 1 86 . 1 . 1 11 11 LYS H H 1 7.39 0.01 . 1 . . . . . 11 K HN . 50543 1 87 . 1 . 1 11 11 LYS HA H 1 4.60 0.01 . 1 . . . . . 11 K HA . 50543 1 88 . 1 . 1 11 11 LYS HB2 H 1 2.02 0.01 . 4 . . . . . 11 K HB2 . 50543 1 89 . 1 . 1 11 11 LYS HB3 H 1 2.02 0.01 . 4 . . . . . 11 K HB3 . 50543 1 90 . 1 . 1 11 11 LYS HG2 H 1 1.45 0.01 . 2 . . . . . 11 K HG2 . 50543 1 91 . 1 . 1 11 11 LYS HG3 H 1 1.40 0.01 . 2 . . . . . 11 K HG3 . 50543 1 92 . 1 . 1 11 11 LYS HD2 H 1 1.72 0.01 . 4 . . . . . 11 K HD2 . 50543 1 93 . 1 . 1 11 11 LYS HD3 H 1 1.70 0.01 . 4 . . . . . 11 K HD3 . 50543 1 94 . 1 . 1 11 11 LYS HE2 H 1 2.98 0.01 . 1 . . . . . 11 K HE2 . 50543 1 95 . 1 . 1 11 11 LYS HE3 H 1 2.98 0.01 . 1 . . . . . 11 K HE3 . 50543 1 96 . 1 . 1 11 11 LYS N N 15 117.10 0.1 . 1 . . . . . 11 K N . 50543 1 97 . 1 . 1 12 12 ASP H H 1 8.14 0.01 . 1 . . . . . 12 D HN . 50543 1 98 . 1 . 1 12 12 ASP HA H 1 4.60 0.01 . 1 . . . . . 12 D HA . 50543 1 99 . 1 . 1 12 12 ASP HB2 H 1 2.71 0.01 . 2 . . . . . 12 D HB2 . 50543 1 100 . 1 . 1 12 12 ASP HB3 H 1 2.63 0.01 . 2 . . . . . 12 D HB3 . 50543 1 101 . 1 . 1 12 12 ASP CA C 13 54.00 0.1 . 1 . . . . . 12 D CA . 50543 1 102 . 1 . 1 12 12 ASP CB C 13 41.60 0.1 . 1 . . . . . 12 D CB . 50543 1 103 . 1 . 1 12 12 ASP N N 15 116.50 0.1 . 1 . . . . . 12 D N . 50543 1 104 . 1 . 1 13 13 TYR H H 1 9.04 0.01 . 1 . . . . . 13 Y HN . 50543 1 105 . 1 . 1 13 13 TYR HA H 1 4.61 0.01 . 1 . . . . . 13 Y HA . 50543 1 106 . 1 . 1 13 13 TYR HB2 H 1 3.03 0.01 . 2 . . . . . 13 Y HB2 . 50543 1 107 . 1 . 1 13 13 TYR HB3 H 1 2.67 0.01 . 2 . . . . . 13 Y HB3 . 50543 1 108 . 1 . 1 13 13 TYR HD1 H 1 7.44 0.01 . 3 . . . . . 13 Y HD1 . 50543 1 109 . 1 . 1 13 13 TYR HD2 H 1 7.44 0.01 . 3 . . . . . 13 Y HD2 . 50543 1 110 . 1 . 1 13 13 TYR HE1 H 1 7.07 0.01 . 3 . . . . . 13 Y HE1 . 50543 1 111 . 1 . 1 13 13 TYR HE2 H 1 7.07 0.01 . 3 . . . . . 13 Y HE2 . 50543 1 112 . 1 . 1 13 13 TYR CA C 13 58.80 0.1 . 1 . . . . . 13 Y CA . 50543 1 113 . 1 . 1 13 13 TYR CB C 13 42.70 0.1 . 1 . . . . . 13 Y CB . 50543 1 114 . 1 . 1 13 13 TYR N N 15 120.80 0.1 . 1 . . . . . 13 Y N . 50543 1 115 . 1 . 1 14 14 CYS H H 1 8.09 0.01 . 1 . . . . . 14 C HN . 50543 1 116 . 1 . 1 14 14 CYS HA H 1 4.42 0.01 . 1 . . . . . 14 C HA . 50543 1 117 . 1 . 1 14 14 CYS HB2 H 1 2.75 0.01 . 2 . . . . . 14 C HB2 . 50543 1 118 . 1 . 1 14 14 CYS HB3 H 1 2.70 0.01 . 2 . . . . . 14 C HB3 . 50543 1 119 . 1 . 1 14 14 CYS CA C 13 57.10 0.1 . 1 . . . . . 14 C CA . 50543 1 120 . 1 . 1 14 14 CYS CB C 13 28.20 0.1 . 1 . . . . . 14 C CB . 50543 1 121 . 1 . 1 14 14 CYS N N 15 125.70 0.1 . 1 . . . . . 14 C N . 50543 1 122 . 1 . 1 15 15 ASN H H 1 8.85 0.01 . 1 . . . . . 15 N HN . 50543 1 123 . 1 . 1 15 15 ASN HA H 1 4.81 0.01 . 1 . . . . . 15 N HA . 50543 1 124 . 1 . 1 15 15 ASN HB2 H 1 2.43 0.01 . 2 . . . . . 15 N HB2 . 50543 1 125 . 1 . 1 15 15 ASN HB3 H 1 2.99 0.01 . 2 . . . . . 15 N HB3 . 50543 1 126 . 1 . 1 15 15 ASN HD21 H 1 7.32 0.01 . 2 . . . . . 15 N HD21 . 50543 1 127 . 1 . 1 15 15 ASN HD22 H 1 7.12 0.01 . 2 . . . . . 15 N HD22 . 50543 1 128 . 1 . 1 15 15 ASN CA C 13 51.50 0.1 . 1 . . . . . 15 N CA . 50543 1 129 . 1 . 1 15 15 ASN CB C 13 38.60 0.1 . 1 . . . . . 15 N CB . 50543 1 130 . 1 . 1 15 15 ASN N N 15 124.70 0.1 . 1 . . . . . 15 N N . 50543 1 131 . 1 . 1 15 15 ASN ND2 N 15 110.80 0.1 . 1 . . . . . 15 N ND2 . 50543 1 132 . 1 . 1 16 16 ASN HA H 1 4.34 0.01 . 1 . . . . . 16 N HA . 50543 1 133 . 1 . 1 16 16 ASN HB2 H 1 2.55 0.01 . 2 . . . . . 16 N HB2 . 50543 1 134 . 1 . 1 16 16 ASN HB3 H 1 2.29 0.01 . 2 . . . . . 16 N HB3 . 50543 1 135 . 1 . 1 16 16 ASN HD21 H 1 7.35 0.01 . 2 . . . . . 16 N HD21 . 50543 1 136 . 1 . 1 16 16 ASN HD22 H 1 6.65 0.01 . 2 . . . . . 16 N HD22 . 50543 1 137 . 1 . 1 16 16 ASN CA C 13 54.50 0.1 . 1 . . . . . 16 N CA . 50543 1 138 . 1 . 1 16 16 ASN CB C 13 38.20 0.1 . 1 . . . . . 16 N CB . 50543 1 139 . 1 . 1 16 16 ASN ND2 N 15 112.10 0.1 . 1 . . . . . 16 N ND2 . 50543 1 140 . 1 . 1 17 17 TYR H H 1 7.96 0.01 . 1 . . . . . 17 Y HN . 50543 1 141 . 1 . 1 17 17 TYR HA H 1 4.45 0.01 . 1 . . . . . 17 Y HA . 50543 1 142 . 1 . 1 17 17 TYR HB2 H 1 3.21 0.01 . 2 . . . . . 17 Y HB2 . 50543 1 143 . 1 . 1 17 17 TYR HB3 H 1 2.94 0.01 . 2 . . . . . 17 Y HB3 . 50543 1 144 . 1 . 1 17 17 TYR HD1 H 1 7.88 0.01 . 3 . . . . . 17 Y HD1 . 50543 1 145 . 1 . 1 17 17 TYR HD2 H 1 7.88 0.01 . 3 . . . . . 17 Y HD2 . 50543 1 146 . 1 . 1 17 17 TYR HE1 H 1 7.16 0.01 . 3 . . . . . 17 Y HE1 . 50543 1 147 . 1 . 1 17 17 TYR HE2 H 1 7.16 0.01 . 3 . . . . . 17 Y HE2 . 50543 1 148 . 1 . 1 17 17 TYR CA C 13 58.30 0.1 . 1 . . . . . 17 Y CA . 50543 1 149 . 1 . 1 17 17 TYR CB C 13 38.10 0.1 . 1 . . . . . 17 Y CB . 50543 1 150 . 1 . 1 17 17 TYR N N 15 116.00 0.1 . 1 . . . . . 17 Y N . 50543 1 151 . 1 . 1 18 18 ASP H H 1 7.13 0.01 . 1 . . . . . 18 D HN . 50543 1 152 . 1 . 1 18 18 ASP HA H 1 4.85 0.01 . 1 . . . . . 18 D HA . 50543 1 153 . 1 . 1 18 18 ASP HB2 H 1 2.78 0.01 . 2 . . . . . 18 D HB2 . 50543 1 154 . 1 . 1 18 18 ASP HB3 H 1 2.63 0.01 . 2 . . . . . 18 D HB3 . 50543 1 155 . 1 . 1 18 18 ASP CA C 13 52.10 0.1 . 1 . . . . . 18 D CA . 50543 1 156 . 1 . 1 18 18 ASP CB C 13 41.60 0.1 . 1 . . . . . 18 D CB . 50543 1 157 . 1 . 1 18 18 ASP N N 15 117.60 0.1 . 1 . . . . . 18 D N . 50543 1 158 . 1 . 1 19 19 LEU H H 1 9.00 0.01 . 1 . . . . . 19 L HN . 50543 1 159 . 1 . 1 19 19 LEU HA H 1 4.35 0.01 . 1 . . . . . 19 L HA . 50543 1 160 . 1 . 1 19 19 LEU HB2 H 1 1.78 0.01 . 2 . . . . . 19 L HB2 . 50543 1 161 . 1 . 1 19 19 LEU N N 15 126.10 0.1 . 1 . . . . . 19 L N . 50543 1 162 . 1 . 1 20 20 THR H H 1 8.49 0.01 . 1 . . . . . 20 T HN . 50543 1 163 . 1 . 1 20 20 THR HA H 1 4.79 0.01 . 1 . . . . . 20 T HA . 50543 1 164 . 1 . 1 20 20 THR HG21 H 1 1.32 0.01 . 1 . . . . . 20 T HG21 . 50543 1 165 . 1 . 1 20 20 THR HG22 H 1 1.32 0.01 . 1 . . . . . 20 T HG22 . 50543 1 166 . 1 . 1 20 20 THR HG23 H 1 1.32 0.01 . 1 . . . . . 20 T HG23 . 50543 1 167 . 1 . 1 20 20 THR CA C 13 61.90 0.1 . 1 . . . . . 20 T CA . 50543 1 168 . 1 . 1 20 20 THR CB C 13 69.40 0.1 . 1 . . . . . 20 T CB . 50543 1 169 . 1 . 1 20 20 THR N N 15 108.20 0.1 . 1 . . . . . 20 T N . 50543 1 170 . 1 . 1 21 21 SER H H 1 7.85 0.01 . 1 . . . . . 21 S HN . 50543 1 171 . 1 . 1 21 21 SER HA H 1 4.99 0.01 . 1 . . . . . 21 S HA . 50543 1 172 . 1 . 1 21 21 SER HB2 H 1 4.29 0.01 . 2 . . . . . 21 S HB2 . 50543 1 173 . 1 . 1 21 21 SER HB3 H 1 4.24 0.01 . 2 . . . . . 21 S HB3 . 50543 1 174 . 1 . 1 21 21 SER CA C 13 59.10 0.1 . 1 . . . . . 21 S CA . 50543 1 175 . 1 . 1 21 21 SER CB C 13 65.30 0.1 . 1 . . . . . 21 S CB . 50543 1 176 . 1 . 1 21 21 SER N N 15 118.20 0.1 . 1 . . . . . 21 S N . 50543 1 177 . 1 . 1 22 22 LEU H H 1 9.33 0.01 . 1 . . . . . 22 L HN . 50543 1 178 . 1 . 1 22 22 LEU HA H 1 4.26 0.01 . 1 . . . . . 22 L HA . 50543 1 179 . 1 . 1 22 22 LEU HB2 H 1 1.64 0.01 . 2 . . . . . 22 L HB2 . 50543 1 180 . 1 . 1 22 22 LEU HB3 H 1 1.26 0.01 . 2 . . . . . 22 L HB3 . 50543 1 181 . 1 . 1 22 22 LEU HD11 H 1 0.65 0.01 . 2 . . . . . 22 L HD11 . 50543 1 182 . 1 . 1 22 22 LEU HD12 H 1 0.65 0.01 . 2 . . . . . 22 L HD12 . 50543 1 183 . 1 . 1 22 22 LEU HD13 H 1 0.65 0.01 . 2 . . . . . 22 L HD13 . 50543 1 184 . 1 . 1 22 22 LEU HD21 H 1 1.00 0.01 . 2 . . . . . 22 L HD21 . 50543 1 185 . 1 . 1 22 22 LEU HD22 H 1 1.00 0.01 . 2 . . . . . 22 L HD22 . 50543 1 186 . 1 . 1 22 22 LEU HD23 H 1 1.00 0.01 . 2 . . . . . 22 L HD23 . 50543 1 187 . 1 . 1 22 22 LEU N N 15 126.50 0.1 . 1 . . . . . 22 L N . 50543 1 188 . 1 . 1 23 23 ASN H H 1 8.46 0.01 . 1 . . . . . 23 N HN . 50543 1 189 . 1 . 1 23 23 ASN HA H 1 5.02 0.01 . 1 . . . . . 23 N HA . 50543 1 190 . 1 . 1 23 23 ASN HB2 H 1 2.72 0.01 . 1 . . . . . 23 N HB2 . 50543 1 191 . 1 . 1 23 23 ASN HB3 H 1 2.72 0.01 . 1 . . . . . 23 N HB3 . 50543 1 192 . 1 . 1 23 23 ASN HD21 H 1 7.56 0.01 . 2 . . . . . 23 N HD21 . 50543 1 193 . 1 . 1 23 23 ASN HD22 H 1 6.91 0.01 . 2 . . . . . 23 N HD22 . 50543 1 194 . 1 . 1 23 23 ASN CA C 13 53.30 0.1 . 1 . . . . . 23 N CA . 50543 1 195 . 1 . 1 23 23 ASN CB C 13 38.60 0.1 . 1 . . . . . 23 N CB . 50543 1 196 . 1 . 1 23 23 ASN N N 15 124.10 0.1 . 1 . . . . . 23 N N . 50543 1 197 . 1 . 1 23 23 ASN ND2 N 15 112.40 0.1 . 1 . . . . . 23 N ND2 . 50543 1 198 . 1 . 1 24 24 VAL H H 1 9.29 0.01 . 1 . . . . . 24 V HN . 50543 1 199 . 1 . 1 24 24 VAL HA H 1 4.10 0.01 . 1 . . . . . 24 V HA . 50543 1 200 . 1 . 1 24 24 VAL HB H 1 2.15 0.01 . 1 . . . . . 24 V HB . 50543 1 201 . 1 . 1 24 24 VAL HG11 H 1 0.85 0.01 . 1 . . . . . 24 V HG11 . 50543 1 202 . 1 . 1 24 24 VAL HG12 H 1 0.85 0.01 . 1 . . . . . 24 V HG12 . 50543 1 203 . 1 . 1 24 24 VAL HG13 H 1 0.85 0.01 . 1 . . . . . 24 V HG13 . 50543 1 204 . 1 . 1 24 24 VAL HG21 H 1 0.85 0.01 . 1 . . . . . 24 V HG21 . 50543 1 205 . 1 . 1 24 24 VAL HG22 H 1 0.85 0.01 . 1 . . . . . 24 V HG22 . 50543 1 206 . 1 . 1 24 24 VAL HG23 H 1 0.85 0.01 . 1 . . . . . 24 V HG23 . 50543 1 207 . 1 . 1 24 24 VAL CA C 13 61.90 0.1 . 1 . . . . . 24 V CA . 50543 1 208 . 1 . 1 24 24 VAL CB C 13 35.40 0.1 . 1 . . . . . 24 V CB . 50543 1 209 . 1 . 1 24 24 VAL N N 15 126.90 0.1 . 1 . . . . . 24 V N . 50543 1 210 . 1 . 1 25 25 LYS H H 1 9.26 0.01 . 1 . . . . . 25 K HN . 50543 1 211 . 1 . 1 25 25 LYS HA H 1 4.88 0.01 . 1 . . . . . 25 K HA . 50543 1 212 . 1 . 1 25 25 LYS HB2 H 1 1.70 0.01 . 4 . . . . . 25 K HB2 . 50543 1 213 . 1 . 1 25 25 LYS HB3 H 1 1.70 0.01 . 4 . . . . . 25 K HB3 . 50543 1 214 . 1 . 1 25 25 LYS HG2 H 1 1.42 0.01 . 1 . . . . . 25 K HG2 . 50543 1 215 . 1 . 1 25 25 LYS HG3 H 1 1.42 0.01 . 1 . . . . . 25 K HG3 . 50543 1 216 . 1 . 1 25 25 LYS HE2 H 1 2.99 0.01 . 1 . . . . . 25 K HE2 . 50543 1 217 . 1 . 1 25 25 LYS HE3 H 1 2.99 0.01 . 1 . . . . . 25 K HE3 . 50543 1 218 . 1 . 1 25 25 LYS N N 15 130.30 0.1 . 1 . . . . . 25 K N . 50543 1 219 . 1 . 1 26 26 ALA H H 1 9.00 0.01 . 1 . . . . . 26 A HN . 50543 1 220 . 1 . 1 26 26 ALA HA H 1 3.30 0.01 . 1 . . . . . 26 A HA . 50543 1 221 . 1 . 1 26 26 ALA HB1 H 1 1.15 0.01 . 1 . . . . . 26 A HB1 . 50543 1 222 . 1 . 1 26 26 ALA HB2 H 1 1.15 0.01 . 1 . . . . . 26 A HB2 . 50543 1 223 . 1 . 1 26 26 ALA HB3 H 1 1.15 0.01 . 1 . . . . . 26 A HB3 . 50543 1 224 . 1 . 1 26 26 ALA CA C 13 54.00 0.1 . 1 . . . . . 26 A CA . 50543 1 225 . 1 . 1 26 26 ALA CB C 13 17.80 0.1 . 1 . . . . . 26 A CB . 50543 1 226 . 1 . 1 26 26 ALA N N 15 124.20 0.1 . 1 . . . . . 26 A N . 50543 1 227 . 1 . 1 27 27 GLY H H 1 8.84 0.01 . 1 . . . . . 27 G HN . 50543 1 228 . 1 . 1 27 27 GLY HA2 H 1 4.46 0.01 . 2 . . . . . 27 G HA1 . 50543 1 229 . 1 . 1 27 27 GLY HA3 H 1 3.45 0.01 . 2 . . . . . 27 G HA2 . 50543 1 230 . 1 . 1 27 27 GLY CA C 13 44.90 0.1 . 1 . . . . . 27 G CA . 50543 1 231 . 1 . 1 27 27 GLY N N 15 112.20 0.1 . 1 . . . . . 27 G N . 50543 1 232 . 1 . 1 28 28 ASP H H 1 8.57 0.01 . 1 . . . . . 28 D HN . 50543 1 233 . 1 . 1 28 28 ASP HA H 1 4.46 0.01 . 1 . . . . . 28 D HA . 50543 1 234 . 1 . 1 28 28 ASP HB2 H 1 2.70 0.01 . 2 . . . . . 28 D HB2 . 50543 1 235 . 1 . 1 28 28 ASP HB3 H 1 2.27 0.01 . 2 . . . . . 28 D HB3 . 50543 1 236 . 1 . 1 28 28 ASP CA C 13 55.80 0.1 . 1 . . . . . 28 D CA . 50543 1 237 . 1 . 1 28 28 ASP CB C 13 41.60 0.1 . 1 . . . . . 28 D CB . 50543 1 238 . 1 . 1 28 28 ASP N N 15 122.10 0.1 . 1 . . . . . 28 D N . 50543 1 239 . 1 . 1 29 29 ILE H H 1 8.43 0.01 . 1 . . . . . 29 I HN . 50543 1 240 . 1 . 1 29 29 ILE HA H 1 4.58 0.01 . 1 . . . . . 29 I HA . 50543 1 241 . 1 . 1 29 29 ILE HB H 1 1.92 0.01 . 1 . . . . . 29 I HB . 50543 1 242 . 1 . 1 29 29 ILE HG12 H 1 1.75 0.01 . 2 . . . . . 29 I HG12 . 50543 1 243 . 1 . 1 29 29 ILE HG13 H 1 1.34 0.01 . 2 . . . . . 29 I HG13 . 50543 1 244 . 1 . 1 29 29 ILE HG21 H 1 0.75 0.01 . 1 . . . . . 29 I HG21 . 50543 1 245 . 1 . 1 29 29 ILE HG22 H 1 0.75 0.01 . 1 . . . . . 29 I HG22 . 50543 1 246 . 1 . 1 29 29 ILE HG23 H 1 0.75 0.01 . 1 . . . . . 29 I HG23 . 50543 1 247 . 1 . 1 29 29 ILE HD11 H 1 0.80 0.01 . 1 . . . . . 29 I HD11 . 50543 1 248 . 1 . 1 29 29 ILE HD12 H 1 0.80 0.01 . 1 . . . . . 29 I HD12 . 50543 1 249 . 1 . 1 29 29 ILE HD13 H 1 0.80 0.01 . 1 . . . . . 29 I HD13 . 50543 1 250 . 1 . 1 29 29 ILE N N 15 120.40 0.1 . 1 . . . . . 29 I N . 50543 1 251 . 1 . 1 30 30 ILE H H 1 9.29 0.01 . 1 . . . . . 30 I HN . 50543 1 252 . 1 . 1 30 30 ILE HA H 1 4.32 0.01 . 1 . . . . . 30 I HA . 50543 1 253 . 1 . 1 30 30 ILE HG12 H 1 1.37 0.01 . 2 . . . . . 30 I HG12 . 50543 1 254 . 1 . 1 30 30 ILE HG13 H 1 1.45 0.01 . 2 . . . . . 30 I HG13 . 50543 1 255 . 1 . 1 30 30 ILE HG21 H 1 0.29 0.01 . 1 . . . . . 30 I HG21 . 50543 1 256 . 1 . 1 30 30 ILE HG22 H 1 0.29 0.01 . 1 . . . . . 30 I HG22 . 50543 1 257 . 1 . 1 30 30 ILE HG23 H 1 0.29 0.01 . 1 . . . . . 30 I HG23 . 50543 1 258 . 1 . 1 30 30 ILE HD11 H 1 -0.08 0.01 . 1 . . . . . 30 I HD11 . 50543 1 259 . 1 . 1 30 30 ILE HD12 H 1 -0.08 0.01 . 1 . . . . . 30 I HD12 . 50543 1 260 . 1 . 1 30 30 ILE HD13 H 1 -0.08 0.01 . 1 . . . . . 30 I HD13 . 50543 1 261 . 1 . 1 30 30 ILE N N 15 128.44 0.1 . 1 . . . . . 30 I N . 50543 1 262 . 1 . 1 31 31 THR H H 1 9.13 0.01 . 1 . . . . . 31 T HN . 50543 1 263 . 1 . 1 31 31 THR HA H 1 4.60 0.01 . 1 . . . . . 31 T HA . 50543 1 264 . 1 . 1 31 31 THR HB H 1 4.15 0.01 . 1 . . . . . 31 T HB . 50543 1 265 . 1 . 1 31 31 THR HG21 H 1 1.13 0.01 . 1 . . . . . 31 T HG21 . 50543 1 266 . 1 . 1 31 31 THR HG22 H 1 1.13 0.01 . 1 . . . . . 31 T HG22 . 50543 1 267 . 1 . 1 31 31 THR HG23 H 1 1.13 0.01 . 1 . . . . . 31 T HG23 . 50543 1 268 . 1 . 1 31 31 THR CA C 13 63.50 0.1 . 1 . . . . . 31 T CA . 50543 1 269 . 1 . 1 31 31 THR CB C 13 69.00 0.1 . 1 . . . . . 31 T CB . 50543 1 270 . 1 . 1 31 31 THR N N 15 124.10 0.1 . 1 . . . . . 31 T N . 50543 1 271 . 1 . 1 32 32 VAL H H 1 9.31 0.01 . 1 . . . . . 32 V HN . 50543 1 272 . 1 . 1 32 32 VAL HA H 1 4.00 0.01 . 1 . . . . . 32 V HA . 50543 1 273 . 1 . 1 32 32 VAL HB H 1 2.10 0.01 . 1 . . . . . 32 V HB . 50543 1 274 . 1 . 1 32 32 VAL HG11 H 1 1.22 0.01 . 2 . . . . . 32 V HG11 . 50543 1 275 . 1 . 1 32 32 VAL HG12 H 1 1.22 0.01 . 2 . . . . . 32 V HG12 . 50543 1 276 . 1 . 1 32 32 VAL HG13 H 1 1.22 0.01 . 2 . . . . . 32 V HG13 . 50543 1 277 . 1 . 1 32 32 VAL HG21 H 1 0.65 0.01 . 2 . . . . . 32 V HG21 . 50543 1 278 . 1 . 1 32 32 VAL HG22 H 1 0.65 0.01 . 2 . . . . . 32 V HG22 . 50543 1 279 . 1 . 1 32 32 VAL HG23 H 1 0.65 0.01 . 2 . . . . . 32 V HG23 . 50543 1 280 . 1 . 1 32 32 VAL CA C 13 64.60 0.1 . 1 . . . . . 32 V CA . 50543 1 281 . 1 . 1 32 32 VAL CB C 13 31.30 0.1 . 1 . . . . . 32 V CB . 50543 1 282 . 1 . 1 32 32 VAL N N 15 129.40 0.1 . 1 . . . . . 32 V N . 50543 1 283 . 1 . 1 33 33 LEU H H 1 9.04 0.01 . 1 . . . . . 33 L HN . 50543 1 284 . 1 . 1 33 33 LEU HA H 1 4.41 0.01 . 1 . . . . . 33 L HA . 50543 1 285 . 1 . 1 33 33 LEU HB2 H 1 1.60 0.01 . 1 . . . . . 33 L HB2 . 50543 1 286 . 1 . 1 33 33 LEU HB3 H 1 1.60 0.01 . 1 . . . . . 33 L HB3 . 50543 1 287 . 1 . 1 33 33 LEU HG H 1 1.22 0.01 . 1 . . . . . 33 L HG . 50543 1 288 . 1 . 1 33 33 LEU HD11 H 1 0.81 0.01 . 2 . . . . . 33 L HD11 . 50543 1 289 . 1 . 1 33 33 LEU HD12 H 1 0.81 0.01 . 2 . . . . . 33 L HD12 . 50543 1 290 . 1 . 1 33 33 LEU HD13 H 1 0.81 0.01 . 2 . . . . . 33 L HD13 . 50543 1 291 . 1 . 1 33 33 LEU HD21 H 1 -0.05 0.01 . 2 . . . . . 33 L HD21 . 50543 1 292 . 1 . 1 33 33 LEU HD22 H 1 -0.05 0.01 . 2 . . . . . 33 L HD22 . 50543 1 293 . 1 . 1 33 33 LEU HD23 H 1 -0.05 0.01 . 2 . . . . . 33 L HD23 . 50543 1 294 . 1 . 1 33 33 LEU N N 15 128.00 0.1 . 1 . . . . . 33 L N . 50543 1 295 . 1 . 1 34 34 GLU H H 1 7.64 0.01 . 1 . . . . . 34 E HN . 50543 1 296 . 1 . 1 34 34 GLU HA H 1 4.37 0.01 . 1 . . . . . 34 E HA . 50543 1 297 . 1 . 1 34 34 GLU HB2 H 1 1.75 0.01 . 2 . . . . . 34 E HB2 . 50543 1 298 . 1 . 1 34 34 GLU HB3 H 1 1.84 0.01 . 2 . . . . . 34 E HB3 . 50543 1 299 . 1 . 1 34 34 GLU HG2 H 1 2.25 0.01 . 1 . . . . . 34 E HG2 . 50543 1 300 . 1 . 1 34 34 GLU HG3 H 1 2.25 0.01 . 1 . . . . . 34 E HG3 . 50543 1 301 . 1 . 1 34 34 GLU CA C 13 55.30 0.1 . 1 . . . . . 34 E CA . 50543 1 302 . 1 . 1 34 34 GLU CB C 13 34.50 0.1 . 1 . . . . . 34 E CB . 50543 1 303 . 1 . 1 34 34 GLU N N 15 114.30 0.1 . 1 . . . . . 34 E N . 50543 1 304 . 1 . 1 35 35 GLN H H 1 8.39 0.01 . 1 . . . . . 35 Q HN . 50543 1 305 . 1 . 1 35 35 GLN HA H 1 3.05 0.01 . 1 . . . . . 35 Q HA . 50543 1 306 . 1 . 1 35 35 GLN HB2 H 1 1.22 0.01 . 1 . . . . . 35 Q HB2 . 50543 1 307 . 1 . 1 35 35 GLN HB3 H 1 1.22 0.01 . 1 . . . . . 35 Q HB3 . 50543 1 308 . 1 . 1 35 35 GLN HG2 H 1 2.02 0.01 . 1 . . . . . 35 Q HG2 . 50543 1 309 . 1 . 1 35 35 GLN HG3 H 1 2.02 0.01 . 1 . . . . . 35 Q HG3 . 50543 1 310 . 1 . 1 35 35 GLN HE21 H 1 6.65 0.01 . 2 . . . . . 35 Q HE21 . 50543 1 311 . 1 . 1 35 35 GLN HE22 H 1 6.27 0.01 . 2 . . . . . 35 Q HE22 . 50543 1 312 . 1 . 1 35 35 GLN CA C 13 53.70 0.1 . 1 . . . . . 35 Q CA . 50543 1 313 . 1 . 1 35 35 GLN CB C 13 29.60 0.1 . 1 . . . . . 35 Q CB . 50543 1 314 . 1 . 1 35 35 GLN N N 15 122.50 0.1 . 1 . . . . . 35 Q N . 50543 1 315 . 1 . 1 35 35 GLN NE2 N 15 111.50 0.1 . 1 . . . . . 35 Q NE2 . 50543 1 316 . 1 . 1 36 36 HIS H H 1 6.95 0.01 . 1 . . . . . 36 H HN . 50543 1 317 . 1 . 1 36 36 HIS HA H 1 4.88 0.01 . 1 . . . . . 36 H HA . 50543 1 318 . 1 . 1 36 36 HIS HB2 H 1 3.31 0.01 . 2 . . . . . 36 H HB2 . 50543 1 319 . 1 . 1 36 36 HIS HB3 H 1 3.28 0.01 . 2 . . . . . 36 H HB3 . 50543 1 320 . 1 . 1 36 36 HIS CA C 13 55.10 0.1 . 1 . . . . . 36 H CA . 50543 1 321 . 1 . 1 36 36 HIS CB C 13 32.60 0.1 . 1 . . . . . 36 H CB . 50543 1 322 . 1 . 1 36 36 HIS N N 15 121.20 0.1 . 1 . . . . . 36 H N . 50543 1 323 . 1 . 1 37 37 PRO HA H 1 4.54 0.01 . 1 . . . . . 37 P HA . 50543 1 324 . 1 . 1 37 37 PRO HB2 H 1 2.09 0.01 . 1 . . . . . 37 P HB2 . 50543 1 325 . 1 . 1 37 37 PRO HB3 H 1 2.09 0.01 . 1 . . . . . 37 P HB3 . 50543 1 326 . 1 . 1 37 37 PRO CA C 13 64.80 0.1 . 1 . . . . . 37 P CA . 50543 1 327 . 1 . 1 37 37 PRO CB C 13 32.00 0.1 . 1 . . . . . 37 P CB . 50543 1 328 . 1 . 1 38 38 ASP H H 1 8.58 0.01 . 1 . . . . . 38 D HN . 50543 1 329 . 1 . 1 38 38 ASP HA H 1 4.52 0.01 . 1 . . . . . 38 D HA . 50543 1 330 . 1 . 1 38 38 ASP HB2 H 1 2.96 0.01 . 2 . . . . . 38 D HB2 . 50543 1 331 . 1 . 1 38 38 ASP HB3 H 1 2.68 0.01 . 2 . . . . . 38 D HB3 . 50543 1 332 . 1 . 1 38 38 ASP CA C 13 54.00 0.1 . 1 . . . . . 38 D CA . 50543 1 333 . 1 . 1 38 38 ASP CB C 13 39.80 0.1 . 1 . . . . . 38 D CB . 50543 1 334 . 1 . 1 38 38 ASP N N 15 117.70 0.1 . 1 . . . . . 38 D N . 50543 1 335 . 1 . 1 39 39 GLY H H 1 8.25 0.01 . 1 . . . . . 39 G HN . 50543 1 336 . 1 . 1 39 39 GLY HA2 H 1 4.17 0.01 . 2 . . . . . 39 G HA1 . 50543 1 337 . 1 . 1 39 39 GLY HA3 H 1 3.63 0.01 . 2 . . . . . 39 G HA2 . 50543 1 338 . 1 . 1 39 39 GLY CA C 13 45.40 0.1 . 1 . . . . . 39 G CA . 50543 1 339 . 1 . 1 39 39 GLY N N 15 107.00 0.1 . 1 . . . . . 39 G N . 50543 1 340 . 1 . 1 40 40 ARG H H 1 8.23 0.01 . 1 . . . . . 40 R HN . 50543 1 341 . 1 . 1 40 40 ARG HA H 1 4.53 0.01 . 1 . . . . . 40 R HA . 50543 1 342 . 1 . 1 40 40 ARG HB2 H 1 1.42 0.01 . 1 . . . . . 40 R HB2 . 50543 1 343 . 1 . 1 40 40 ARG HB3 H 1 1.42 0.01 . 1 . . . . . 40 R HB3 . 50543 1 344 . 1 . 1 40 40 ARG HG2 H 1 1.92 0.01 . 2 . . . . . 40 R HG2 . 50543 1 345 . 1 . 1 40 40 ARG HG3 H 1 1.80 0.01 . 2 . . . . . 40 R HG3 . 50543 1 346 . 1 . 1 40 40 ARG HD2 H 1 2.90 0.01 . 1 . . . . . 40 R HD2 . 50543 1 347 . 1 . 1 40 40 ARG HD3 H 1 2.90 0.01 . 1 . . . . . 40 R HD3 . 50543 1 348 . 1 . 1 40 40 ARG CA C 13 55.50 0.1 . 1 . . . . . 40 R CA . 50543 1 349 . 1 . 1 40 40 ARG CB C 13 29.10 0.1 . 1 . . . . . 40 R CB . 50543 1 350 . 1 . 1 40 40 ARG N N 15 123.50 0.1 . 1 . . . . . 40 R N . 50543 1 351 . 1 . 1 41 41 TRP H H 1 8.37 0.01 . 1 . . . . . 41 W HN . 50543 1 352 . 1 . 1 41 41 TRP HA H 1 5.19 0.01 . 1 . . . . . 41 W HA . 50543 1 353 . 1 . 1 41 41 TRP HB2 H 1 2.95 0.01 . 2 . . . . . 41 W HB2 . 50543 1 354 . 1 . 1 41 41 TRP HB3 H 1 2.00 0.01 . 2 . . . . . 41 W HB3 . 50543 1 355 . 1 . 1 41 41 TRP HD1 H 1 7.00 0.01 . 4 . . . . . 41 W HD1 . 50543 1 356 . 1 . 1 41 41 TRP HE1 H 1 10.08 0.01 . 1 . . . . . 41 W HE1 . 50543 1 357 . 1 . 1 41 41 TRP HE3 H 1 7.16 0.01 . 4 . . . . . 41 W HE3 . 50543 1 358 . 1 . 1 41 41 TRP HZ2 H 1 7.23 0.01 . 4 . . . . . 41 W HZ2 . 50543 1 359 . 1 . 1 41 41 TRP HZ3 H 1 6.86 0.01 . 4 . . . . . 41 W HZ3 . 50543 1 360 . 1 . 1 41 41 TRP HH2 H 1 7.41 0.01 . 4 . . . . . 41 W HH2 . 50543 1 361 . 1 . 1 41 41 TRP CA C 13 54.40 0.1 . 1 . . . . . 41 W CA . 50543 1 362 . 1 . 1 41 41 TRP CB C 13 31.80 0.1 . 1 . . . . . 41 W CB . 50543 1 363 . 1 . 1 41 41 TRP N N 15 126.80 0.1 . 1 . . . . . 41 W N . 50543 1 364 . 1 . 1 41 41 TRP NE1 N 15 127.50 0.1 . 1 . . . . . 41 W NE1 . 50543 1 365 . 1 . 1 42 42 LYS H H 1 8.83 0.01 . 1 . . . . . 42 K HN . 50543 1 366 . 1 . 1 42 42 LYS HA H 1 4.75 0.01 . 1 . . . . . 42 K HA . 50543 1 367 . 1 . 1 42 42 LYS HB2 H 1 1.52 0.01 . 4 . . . . . 42 K HB2 . 50543 1 368 . 1 . 1 42 42 LYS HB3 H 1 1.52 0.01 . 4 . . . . . 42 K HB3 . 50543 1 369 . 1 . 1 42 42 LYS N N 15 120.50 0.1 . 1 . . . . . 42 K N . 50543 1 370 . 1 . 1 43 43 GLY H H 1 9.68 0.01 . 1 . . . . . 43 G HN . 50543 1 371 . 1 . 1 43 43 GLY HA2 H 1 5.35 0.01 . 2 . . . . . 43 G HA1 . 50543 1 372 . 1 . 1 43 43 GLY HA3 H 1 3.67 0.01 . 2 . . . . . 43 G HA2 . 50543 1 373 . 1 . 1 43 43 GLY CA C 13 45.40 0.1 . 1 . . . . . 43 G CA . 50543 1 374 . 1 . 1 43 43 GLY N N 15 114.20 0.1 . 1 . . . . . 43 G N . 50543 1 375 . 1 . 1 44 44 CYS H H 1 8.96 0.01 . 1 . . . . . 44 C HN . 50543 1 376 . 1 . 1 44 44 CYS HA H 1 5.81 0.01 . 1 . . . . . 44 C HA . 50543 1 377 . 1 . 1 44 44 CYS HB2 H 1 2.74 0.01 . 1 . . . . . 44 C HB2 . 50543 1 378 . 1 . 1 44 44 CYS HB3 H 1 2.74 0.01 . 1 . . . . . 44 C HB3 . 50543 1 379 . 1 . 1 44 44 CYS CA C 13 55.20 0.1 . 1 . . . . . 44 C CA . 50543 1 380 . 1 . 1 44 44 CYS CB C 13 30.70 0.1 . 1 . . . . . 44 C CB . 50543 1 381 . 1 . 1 44 44 CYS N N 15 116.80 0.1 . 1 . . . . . 44 C N . 50543 1 382 . 1 . 1 45 45 ILE H H 1 9.23 0.01 . 1 . . . . . 45 I HN . 50543 1 383 . 1 . 1 45 45 ILE HA H 1 4.47 0.01 . 1 . . . . . 45 I HA . 50543 1 384 . 1 . 1 45 45 ILE HG21 H 1 0.88 0.01 . 1 . . . . . 45 I HG21 . 50543 1 385 . 1 . 1 45 45 ILE HG22 H 1 0.88 0.01 . 1 . . . . . 45 I HG22 . 50543 1 386 . 1 . 1 45 45 ILE HG23 H 1 0.88 0.01 . 1 . . . . . 45 I HG23 . 50543 1 387 . 1 . 1 45 45 ILE HD11 H 1 0.89 0.01 . 1 . . . . . 45 I HD11 . 50543 1 388 . 1 . 1 45 45 ILE HD12 H 1 0.89 0.01 . 1 . . . . . 45 I HD12 . 50543 1 389 . 1 . 1 45 45 ILE HD13 H 1 0.89 0.01 . 1 . . . . . 45 I HD13 . 50543 1 390 . 1 . 1 45 45 ILE N N 15 121.90 0.1 . 1 . . . . . 45 I N . 50543 1 391 . 1 . 1 46 46 HIS H H 1 9.13 0.01 . 1 . . . . . 46 H HN . 50543 1 392 . 1 . 1 46 46 HIS HA H 1 5.00 0.01 . 1 . . . . . 46 H HA . 50543 1 393 . 1 . 1 46 46 HIS HB2 H 1 3.08 0.01 . 1 . . . . . 46 H HB2 . 50543 1 394 . 1 . 1 46 46 HIS HB3 H 1 3.08 0.01 . 1 . . . . . 46 H HB3 . 50543 1 395 . 1 . 1 46 46 HIS CA C 13 55.40 0.1 . 1 . . . . . 46 H CA . 50543 1 396 . 1 . 1 46 46 HIS CB C 13 29.70 0.1 . 1 . . . . . 46 H CB . 50543 1 397 . 1 . 1 46 46 HIS N N 15 127.30 0.1 . 1 . . . . . 46 H N . 50543 1 398 . 1 . 1 47 47 ASP H H 1 8.34 0.01 . 1 . . . . . 47 D HN . 50543 1 399 . 1 . 1 47 47 ASP HA H 1 4.69 0.01 . 1 . . . . . 47 D HA . 50543 1 400 . 1 . 1 47 47 ASP HB2 H 1 3.06 0.01 . 2 . . . . . 47 D HB2 . 50543 1 401 . 1 . 1 47 47 ASP HB3 H 1 2.42 0.01 . 2 . . . . . 47 D HB3 . 50543 1 402 . 1 . 1 47 47 ASP CA C 13 53.00 0.1 . 1 . . . . . 47 D CA . 50543 1 403 . 1 . 1 47 47 ASP CB C 13 42.50 0.1 . 1 . . . . . 47 D CB . 50543 1 404 . 1 . 1 47 47 ASP N N 15 127.80 0.1 . 1 . . . . . 47 D N . 50543 1 405 . 1 . 1 48 48 ASN H H 1 8.94 0.01 . 1 . . . . . 48 N HN . 50543 1 406 . 1 . 1 48 48 ASN HA H 1 4.40 0.01 . 1 . . . . . 48 N HA . 50543 1 407 . 1 . 1 48 48 ASN HB2 H 1 2.86 0.01 . 1 . . . . . 48 N HB2 . 50543 1 408 . 1 . 1 48 48 ASN HB3 H 1 2.86 0.01 . 1 . . . . . 48 N HB3 . 50543 1 409 . 1 . 1 48 48 ASN HD21 H 1 7.70 0.01 . 2 . . . . . 48 N HD21 . 50543 1 410 . 1 . 1 48 48 ASN HD22 H 1 7.03 0.01 . 2 . . . . . 48 N HD22 . 50543 1 411 . 1 . 1 48 48 ASN CA C 13 55.30 0.1 . 1 . . . . . 48 N CA . 50543 1 412 . 1 . 1 48 48 ASN CB C 13 38.60 0.1 . 1 . . . . . 48 N CB . 50543 1 413 . 1 . 1 48 48 ASN N N 15 123.80 0.1 . 1 . . . . . 48 N N . 50543 1 414 . 1 . 1 48 48 ASN ND2 N 15 112.60 0.1 . 1 . . . . . 48 N ND2 . 50543 1 415 . 1 . 1 49 49 ARG H H 1 8.66 0.01 . 1 . . . . . 49 R HN . 50543 1 416 . 1 . 1 49 49 ARG HA H 1 4.25 0.01 . 1 . . . . . 49 R HA . 50543 1 417 . 1 . 1 49 49 ARG HB2 H 1 1.99 0.01 . 1 . . . . . 49 R HB2 . 50543 1 418 . 1 . 1 49 49 ARG HB3 H 1 1.99 0.01 . 1 . . . . . 49 R HB3 . 50543 1 419 . 1 . 1 49 49 ARG HG2 H 1 1.66 0.01 . 1 . . . . . 49 R HG2 . 50543 1 420 . 1 . 1 49 49 ARG HG3 H 1 1.66 0.01 . 1 . . . . . 49 R HG3 . 50543 1 421 . 1 . 1 49 49 ARG HD2 H 1 3.25 0.01 . 1 . . . . . 49 R HD2 . 50543 1 422 . 1 . 1 49 49 ARG HD3 H 1 3.25 0.01 . 1 . . . . . 49 R HD3 . 50543 1 423 . 1 . 1 49 49 ARG CA C 13 58.60 0.1 . 1 . . . . . 49 R CA . 50543 1 424 . 1 . 1 49 49 ARG CB C 13 30.40 0.1 . 1 . . . . . 49 R CB . 50543 1 425 . 1 . 1 49 49 ARG N N 15 118.80 0.1 . 1 . . . . . 49 R N . 50543 1 426 . 1 . 1 50 50 THR H H 1 7.57 0.01 . 1 . . . . . 50 T HN . 50543 1 427 . 1 . 1 50 50 THR HA H 1 4.33 0.01 . 1 . . . . . 50 T HA . 50543 1 428 . 1 . 1 50 50 THR HB H 1 4.31 0.01 . 1 . . . . . 50 T HB . 50543 1 429 . 1 . 1 50 50 THR HG21 H 1 1.17 0.01 . 1 . . . . . 50 T HG21 . 50543 1 430 . 1 . 1 50 50 THR HG22 H 1 1.17 0.01 . 1 . . . . . 50 T HG22 . 50543 1 431 . 1 . 1 50 50 THR HG23 H 1 1.17 0.01 . 1 . . . . . 50 T HG23 . 50543 1 432 . 1 . 1 50 50 THR CA C 13 61.50 0.1 . 1 . . . . . 50 T CA . 50543 1 433 . 1 . 1 50 50 THR CB C 13 70.60 0.1 . 1 . . . . . 50 T CB . 50543 1 434 . 1 . 1 50 50 THR N N 15 105.80 0.1 . 1 . . . . . 50 T N . 50543 1 435 . 1 . 1 51 51 GLY H H 1 8.16 0.01 . 1 . . . . . 51 G HN . 50543 1 436 . 1 . 1 51 51 GLY HA2 H 1 4.20 0.01 . 2 . . . . . 51 G HA1 . 50543 1 437 . 1 . 1 51 51 GLY HA3 H 1 3.62 0.01 . 2 . . . . . 51 G HA2 . 50543 1 438 . 1 . 1 51 51 GLY CA C 13 45.70 0.1 . 1 . . . . . 51 G CA . 50543 1 439 . 1 . 1 51 51 GLY N N 15 110.20 0.1 . 1 . . . . . 51 G N . 50543 1 440 . 1 . 1 52 52 ASN H H 1 7.68 0.01 . 1 . . . . . 52 N HN . 50543 1 441 . 1 . 1 52 52 ASN HA H 1 4.82 0.01 . 1 . . . . . 52 N HA . 50543 1 442 . 1 . 1 52 52 ASN HB2 H 1 2.65 0.01 . 1 . . . . . 52 N HB2 . 50543 1 443 . 1 . 1 52 52 ASN HB3 H 1 2.65 0.01 . 1 . . . . . 52 N HB3 . 50543 1 444 . 1 . 1 52 52 ASN HD21 H 1 7.35 0.01 . 2 . . . . . 52 N HD21 . 50543 1 445 . 1 . 1 52 52 ASN HD22 H 1 6.97 0.01 . 2 . . . . . 52 N HD22 . 50543 1 446 . 1 . 1 52 52 ASN CA C 13 52.40 0.1 . 1 . . . . . 52 N CA . 50543 1 447 . 1 . 1 52 52 ASN CB C 13 40.30 0.1 . 1 . . . . . 52 N CB . 50543 1 448 . 1 . 1 52 52 ASN N N 15 117.10 0.1 . 1 . . . . . 52 N N . 50543 1 449 . 1 . 1 52 52 ASN ND2 N 15 111.80 0.1 . 1 . . . . . 52 N ND2 . 50543 1 450 . 1 . 1 53 53 ASP H H 1 8.51 0.01 . 1 . . . . . 53 D HN . 50543 1 451 . 1 . 1 53 53 ASP HA H 1 5.35 0.01 . 1 . . . . . 53 D HA . 50543 1 452 . 1 . 1 53 53 ASP HB2 H 1 2.47 0.01 . 1 . . . . . 53 D HB2 . 50543 1 453 . 1 . 1 53 53 ASP HB3 H 1 2.47 0.01 . 1 . . . . . 53 D HB3 . 50543 1 454 . 1 . 1 53 53 ASP CA C 13 54.00 0.1 . 1 . . . . . 53 D CA . 50543 1 455 . 1 . 1 53 53 ASP CB C 13 43.20 0.1 . 1 . . . . . 53 D CB . 50543 1 456 . 1 . 1 53 53 ASP N N 15 120.40 0.1 . 1 . . . . . 53 D N . 50543 1 457 . 1 . 1 54 54 ARG H H 1 8.81 0.01 . 1 . . . . . 54 R HN . 50543 1 458 . 1 . 1 54 54 ARG HA H 1 4.69 0.01 . 1 . . . . . 54 R HA . 50543 1 459 . 1 . 1 54 54 ARG HB2 H 1 1.73 0.01 . 1 . . . . . 54 R HB2 . 50543 1 460 . 1 . 1 54 54 ARG HB3 H 1 1.73 0.01 . 1 . . . . . 54 R HB3 . 50543 1 461 . 1 . 1 54 54 ARG HD2 H 1 3.32 0.01 . 1 . . . . . 54 R HD2 . 50543 1 462 . 1 . 1 54 54 ARG HD3 H 1 3.32 0.01 . 1 . . . . . 54 R HD3 . 50543 1 463 . 1 . 1 54 54 ARG CA C 13 55.60 0.1 . 1 . . . . . 54 R CA . 50543 1 464 . 1 . 1 54 54 ARG CB C 13 32.70 0.1 . 1 . . . . . 54 R CB . 50543 1 465 . 1 . 1 54 54 ARG N N 15 122.60 0.1 . 1 . . . . . 54 R N . 50543 1 466 . 1 . 1 55 55 VAL H H 1 8.59 0.01 . 1 . . . . . 55 V HN . 50543 1 467 . 1 . 1 55 55 VAL HA H 1 5.32 0.01 . 1 . . . . . 55 V HA . 50543 1 468 . 1 . 1 55 55 VAL HB H 1 1.89 0.01 . 1 . . . . . 55 V HB . 50543 1 469 . 1 . 1 55 55 VAL HG11 H 1 0.86 0.01 . 2 . . . . . 55 V HG11 . 50543 1 470 . 1 . 1 55 55 VAL HG12 H 1 0.86 0.01 . 2 . . . . . 55 V HG12 . 50543 1 471 . 1 . 1 55 55 VAL HG13 H 1 0.86 0.01 . 2 . . . . . 55 V HG13 . 50543 1 472 . 1 . 1 55 55 VAL HG21 H 1 0.37 0.01 . 2 . . . . . 55 V HG21 . 50543 1 473 . 1 . 1 55 55 VAL HG22 H 1 0.37 0.01 . 2 . . . . . 55 V HG22 . 50543 1 474 . 1 . 1 55 55 VAL HG23 H 1 0.37 0.01 . 2 . . . . . 55 V HG23 . 50543 1 475 . 1 . 1 55 55 VAL CA C 13 59.80 0.1 . 1 . . . . . 55 V CA . 50543 1 476 . 1 . 1 55 55 VAL CB C 13 35.40 0.1 . 1 . . . . . 55 V CB . 50543 1 477 . 1 . 1 55 55 VAL N N 15 120.60 0.1 . 1 . . . . . 55 V N . 50543 1 478 . 1 . 1 56 56 GLY H H 1 8.67 0.01 . 1 . . . . . 56 G HN . 50543 1 479 . 1 . 1 56 56 GLY HA2 H 1 4.08 0.01 . 1 . . . . . 56 G HA1 . 50543 1 480 . 1 . 1 56 56 GLY HA3 H 1 4.08 0.01 . 1 . . . . . 56 G HA2 . 50543 1 481 . 1 . 1 56 56 GLY CA C 13 45.50 0.1 . 1 . . . . . 56 G CA . 50543 1 482 . 1 . 1 56 56 GLY N N 15 111.20 0.1 . 1 . . . . . 56 G N . 50543 1 483 . 1 . 1 57 57 TYR H H 1 8.93 0.01 . 1 . . . . . 57 Y HN . 50543 1 484 . 1 . 1 57 57 TYR HA H 1 5.97 0.01 . 1 . . . . . 57 Y HA . 50543 1 485 . 1 . 1 57 57 TYR HB2 H 1 2.80 0.01 . 1 . . . . . 57 Y HB2 . 50543 1 486 . 1 . 1 57 57 TYR HB3 H 1 2.80 0.01 . 1 . . . . . 57 Y HB3 . 50543 1 487 . 1 . 1 57 57 TYR CA C 13 58.10 0.1 . 1 . . . . . 57 Y CA . 50543 1 488 . 1 . 1 57 57 TYR CB C 13 40.60 0.1 . 1 . . . . . 57 Y CB . 50543 1 489 . 1 . 1 57 57 TYR N N 15 119.80 0.1 . 1 . . . . . 57 Y N . 50543 1 490 . 1 . 1 58 58 PHE H H 1 9.61 0.01 . 1 . . . . . 58 F HN . 50543 1 491 . 1 . 1 58 58 PHE HA H 1 5.04 0.01 . 1 . . . . . 58 F HA . 50543 1 492 . 1 . 1 58 58 PHE HB2 H 1 3.02 0.01 . 2 . . . . . 58 F HB2 . 50543 1 493 . 1 . 1 58 58 PHE HB3 H 1 2.63 0.01 . 2 . . . . . 58 F HB3 . 50543 1 494 . 1 . 1 58 58 PHE HD1 H 1 7.59 0.01 . 3 . . . . . 58 F HD1 . 50543 1 495 . 1 . 1 58 58 PHE HD2 H 1 7.59 0.01 . 3 . . . . . 58 F HD2 . 50543 1 496 . 1 . 1 58 58 PHE HE1 H 1 7.75 0.01 . 3 . . . . . 58 F HE1 . 50543 1 497 . 1 . 1 58 58 PHE HE2 H 1 7.75 0.01 . 3 . . . . . 58 F HE2 . 50543 1 498 . 1 . 1 58 58 PHE CA C 13 55.00 0.1 . 1 . . . . . 58 F CA . 50543 1 499 . 1 . 1 58 58 PHE CB C 13 39.60 0.1 . 1 . . . . . 58 F CB . 50543 1 500 . 1 . 1 58 58 PHE N N 15 119.50 0.1 . 1 . . . . . 58 F N . 50543 1 501 . 1 . 1 60 60 SER HA H 1 4.08 0.01 . 1 . . . . . 60 S HA . 50543 1 502 . 1 . 1 60 60 SER HB2 H 1 3.87 0.01 . 1 . . . . . 60 S HB2 . 50543 1 503 . 1 . 1 60 60 SER HB3 H 1 3.87 0.01 . 1 . . . . . 60 S HB3 . 50543 1 504 . 1 . 1 60 60 SER CA C 13 60.30 0.1 . 1 . . . . . 60 S CA . 50543 1 505 . 1 . 1 60 60 SER CB C 13 60.00 0.1 . 1 . . . . . 60 S CB . 50543 1 506 . 1 . 1 61 61 SER H H 1 7.56 0.01 . 1 . . . . . 61 S HN . 50543 1 507 . 1 . 1 61 61 SER HA H 1 4.11 0.01 . 1 . . . . . 61 S HA . 50543 1 508 . 1 . 1 61 61 SER HB2 H 1 3.95 0.01 . 2 . . . . . 61 S HB2 . 50543 1 509 . 1 . 1 61 61 SER HB3 H 1 3.75 0.01 . 2 . . . . . 61 S HB3 . 50543 1 510 . 1 . 1 61 61 SER CA C 13 59.10 0.1 . 1 . . . . . 61 S CA . 50543 1 511 . 1 . 1 61 61 SER CB C 13 62.70 0.1 . 1 . . . . . 61 S CB . 50543 1 512 . 1 . 1 61 61 SER N N 15 114.90 0.1 . 1 . . . . . 61 S N . 50543 1 513 . 1 . 1 62 62 LEU H H 1 7.78 0.01 . 1 . . . . . 62 L HN . 50543 1 514 . 1 . 1 62 62 LEU HA H 1 4.23 0.01 . 1 . . . . . 62 L HA . 50543 1 515 . 1 . 1 62 62 LEU HB2 H 1 2.06 0.01 . 2 . . . . . 62 L HB2 . 50543 1 516 . 1 . 1 62 62 LEU HB3 H 1 1.75 0.01 . 2 . . . . . 62 L HB3 . 50543 1 517 . 1 . 1 62 62 LEU HG H 1 1.75 0.01 . 1 . . . . . 62 L HG . 50543 1 518 . 1 . 1 62 62 LEU HD11 H 1 0.84 0.01 . 1 . . . . . 62 L HD11 . 50543 1 519 . 1 . 1 62 62 LEU HD12 H 1 0.84 0.01 . 1 . . . . . 62 L HD12 . 50543 1 520 . 1 . 1 62 62 LEU HD13 H 1 0.84 0.01 . 1 . . . . . 62 L HD13 . 50543 1 521 . 1 . 1 62 62 LEU HD21 H 1 0.84 0.01 . 1 . . . . . 62 L HD21 . 50543 1 522 . 1 . 1 62 62 LEU HD22 H 1 0.84 0.01 . 1 . . . . . 62 L HD22 . 50543 1 523 . 1 . 1 62 62 LEU HD23 H 1 0.84 0.01 . 1 . . . . . 62 L HD23 . 50543 1 524 . 1 . 1 62 62 LEU N N 15 120.20 0.1 . 1 . . . . . 62 L N . 50543 1 525 . 1 . 1 63 63 GLY H H 1 7.74 0.01 . 1 . . . . . 63 G HN . 50543 1 526 . 1 . 1 63 63 GLY HA2 H 1 4.69 0.01 . 2 . . . . . 63 G HA1 . 50543 1 527 . 1 . 1 63 63 GLY HA3 H 1 3.31 0.01 . 2 . . . . . 63 G HA2 . 50543 1 528 . 1 . 1 63 63 GLY CA C 13 44.80 0.1 . 1 . . . . . 63 G CA . 50543 1 529 . 1 . 1 63 63 GLY N N 15 103.10 0.1 . 1 . . . . . 63 G N . 50543 1 530 . 1 . 1 64 64 GLU H H 1 8.73 0.01 . 1 . . . . . 64 E HN . 50543 1 531 . 1 . 1 64 64 GLU HA H 1 4.71 0.01 . 1 . . . . . 64 E HA . 50543 1 532 . 1 . 1 64 64 GLU HB2 H 1 1.99 0.01 . 1 . . . . . 64 E HB2 . 50543 1 533 . 1 . 1 64 64 GLU HB3 H 1 1.99 0.01 . 1 . . . . . 64 E HB3 . 50543 1 534 . 1 . 1 64 64 GLU HG2 H 1 2.31 0.01 . 1 . . . . . 64 E HG2 . 50543 1 535 . 1 . 1 64 64 GLU HG3 H 1 2.31 0.01 . 1 . . . . . 64 E HG3 . 50543 1 536 . 1 . 1 64 64 GLU CA C 13 54.00 0.1 . 1 . . . . . 64 E CA . 50543 1 537 . 1 . 1 64 64 GLU CB C 13 32.30 0.1 . 1 . . . . . 64 E CB . 50543 1 538 . 1 . 1 64 64 GLU N N 15 122.50 0.1 . 1 . . . . . 64 E N . 50543 1 539 . 1 . 1 65 65 ALA H H 1 8.75 0.01 . 1 . . . . . 65 A HN . 50543 1 540 . 1 . 1 65 65 ALA HA H 1 4.49 0.01 . 1 . . . . . 65 A HA . 50543 1 541 . 1 . 1 65 65 ALA HB1 H 1 1.45 0.01 . 1 . . . . . 65 A HB1 . 50543 1 542 . 1 . 1 65 65 ALA HB2 H 1 1.45 0.01 . 1 . . . . . 65 A HB2 . 50543 1 543 . 1 . 1 65 65 ALA HB3 H 1 1.45 0.01 . 1 . . . . . 65 A HB3 . 50543 1 544 . 1 . 1 65 65 ALA CA C 13 53.20 0.1 . 1 . . . . . 65 A CA . 50543 1 545 . 1 . 1 65 65 ALA CB C 13 19.00 0.1 . 1 . . . . . 65 A CB . 50543 1 546 . 1 . 1 65 65 ALA N N 15 125.80 0.1 . 1 . . . . . 65 A N . 50543 1 547 . 1 . 1 66 66 ILE H H 1 8.45 0.01 . 1 . . . . . 66 I HN . 50543 1 548 . 1 . 1 66 66 ILE HA H 1 4.15 0.01 . 1 . . . . . 66 I HA . 50543 1 549 . 1 . 1 66 66 ILE HB H 1 1.83 0.01 . 1 . . . . . 66 I HB . 50543 1 550 . 1 . 1 66 66 ILE HG12 H 1 1.83 0.01 . 1 . . . . . 66 I HG12 . 50543 1 551 . 1 . 1 66 66 ILE HG13 H 1 1.83 0.01 . 1 . . . . . 66 I HG13 . 50543 1 552 . 1 . 1 66 66 ILE HG21 H 1 0.94 0.01 . 1 . . . . . 66 I HG21 . 50543 1 553 . 1 . 1 66 66 ILE HG22 H 1 0.94 0.01 . 1 . . . . . 66 I HG22 . 50543 1 554 . 1 . 1 66 66 ILE HG23 H 1 0.94 0.01 . 1 . . . . . 66 I HG23 . 50543 1 555 . 1 . 1 66 66 ILE HD11 H 1 0.94 0.01 . 1 . . . . . 66 I HD11 . 50543 1 556 . 1 . 1 66 66 ILE HD12 H 1 0.94 0.01 . 1 . . . . . 66 I HD12 . 50543 1 557 . 1 . 1 66 66 ILE HD13 H 1 0.94 0.01 . 1 . . . . . 66 I HD13 . 50543 1 558 . 1 . 1 66 66 ILE N N 15 121.90 0.1 . 1 . . . . . 66 I N . 50543 1 559 . 1 . 1 67 67 VAL H H 1 7.78 0.01 . 1 . . . . . 67 V HN . 50543 1 560 . 1 . 1 67 67 VAL HA H 1 4.13 0.01 . 1 . . . . . 67 V HA . 50543 1 561 . 1 . 1 67 67 VAL HB H 1 2.08 0.01 . 1 . . . . . 67 V HB . 50543 1 562 . 1 . 1 67 67 VAL HG11 H 1 0.90 0.01 . 1 . . . . . 67 V HG11 . 50543 1 563 . 1 . 1 67 67 VAL HG12 H 1 0.90 0.01 . 1 . . . . . 67 V HG12 . 50543 1 564 . 1 . 1 67 67 VAL HG13 H 1 0.90 0.01 . 1 . . . . . 67 V HG13 . 50543 1 565 . 1 . 1 67 67 VAL HG21 H 1 0.90 0.01 . 1 . . . . . 67 V HG21 . 50543 1 566 . 1 . 1 67 67 VAL HG22 H 1 0.90 0.01 . 1 . . . . . 67 V HG22 . 50543 1 567 . 1 . 1 67 67 VAL HG23 H 1 0.90 0.01 . 1 . . . . . 67 V HG23 . 50543 1 568 . 1 . 1 67 67 VAL CA C 13 63.50 0.1 . 1 . . . . . 67 V CA . 50543 1 569 . 1 . 1 67 67 VAL CB C 13 33.60 0.1 . 1 . . . . . 67 V CB . 50543 1 570 . 1 . 1 67 67 VAL N N 15 128.60 0.1 . 1 . . . . . 67 V N . 50543 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 88 50543 1 1 89 50543 1 1 92 50543 1 1 93 50543 1 2 212 50543 1 2 213 50543 1 3 355 50543 1 3 357 50543 1 3 358 50543 1 3 359 50543 1 3 360 50543 1 4 367 50543 1 4 368 50543 1 stop_ save_