################################### # 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 50901 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Chem_shift_list_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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 50901 1 2 '2D 1H-1H TOCSY' . . . 50901 1 3 '2D 1H-1H TOCSY' . . . 50901 1 6 '2D 1H-1H NOESY' . . . 50901 1 10 '3D 1H-13C NOESY aliphatic' . . . 50901 1 12 '2D 1H-1H TOCSY' . . . 50901 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 1 $software_1 . . 50901 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 1 1 GLY H H 1 7.98 0.01 . 1 . . . . . 17 GLY H . 50901 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.74 0.01 . 1 . . . . . 17 GLY HA2 . 50901 1 3 . 1 . 1 1 1 GLY HA3 H 1 3.74 0.01 . 2 . . . . . 17 GLY HA3 . 50901 1 4 . 1 . 1 1 1 GLY CA C 13 45.5 0.1 . 1 . . . . . 17 GLY CA . 50901 1 5 . 1 . 1 1 1 GLY N N 15 106.7 0.1 . 1 . . . . . 17 GLY N . 50901 1 6 . 1 . 1 2 2 ILE H H 1 8.83 0.01 . 1 . . . . . 18 ILE H . 50901 1 7 . 1 . 1 2 2 ILE HA H 1 3.98 0.01 . 1 . . . . . 18 ILE HA . 50901 1 8 . 1 . 1 2 2 ILE HB H 1 1.77 0.01 . 1 . . . . . 18 ILE HB . 50901 1 9 . 1 . 1 2 2 ILE HG12 H 1 1.59 0.01 . 2 . . . . . 18 ILE HG12 . 50901 1 10 . 1 . 1 2 2 ILE HG13 H 1 1.09 0.01 . 2 . . . . . 18 ILE HG13 . 50901 1 11 . 1 . 1 2 2 ILE HG21 H 1 0.73 0.01 . 1 . . . . . 18 ILE MG . 50901 1 12 . 1 . 1 2 2 ILE HG22 H 1 0.73 0.01 . 1 . . . . . 18 ILE MG . 50901 1 13 . 1 . 1 2 2 ILE HG23 H 1 0.73 0.01 . 1 . . . . . 18 ILE MG . 50901 1 14 . 1 . 1 2 2 ILE HD11 H 1 0.73 0.01 . 1 . . . . . 18 ILE MD . 50901 1 15 . 1 . 1 2 2 ILE HD12 H 1 0.73 0.01 . 1 . . . . . 18 ILE MD . 50901 1 16 . 1 . 1 2 2 ILE HD13 H 1 0.73 0.01 . 1 . . . . . 18 ILE MD . 50901 1 17 . 1 . 1 2 2 ILE CA C 13 61.9 0.1 . 1 . . . . . 18 ILE CA . 50901 1 18 . 1 . 1 2 2 ILE CB C 13 37.3 0.1 . 1 . . . . . 18 ILE CB . 50901 1 19 . 1 . 1 2 2 ILE N N 15 125.7 0.1 . 1 . . . . . 18 ILE N . 50901 1 20 . 1 . 1 3 3 THR H H 1 8.11 0.01 . 1 . . . . . 19 THR H . 50901 1 21 . 1 . 1 3 3 THR HA H 1 5.51 0.01 . 1 . . . . . 19 THR HA . 50901 1 22 . 1 . 1 3 3 THR HB H 1 4.03 0.01 . 1 . . . . . 19 THR HB . 50901 1 23 . 1 . 1 3 3 THR HG21 H 1 1.11 0.01 . 1 . . . . . 19 THR MG . 50901 1 24 . 1 . 1 3 3 THR HG22 H 1 1.11 0.01 . 1 . . . . . 19 THR MG . 50901 1 25 . 1 . 1 3 3 THR HG23 H 1 1.11 0.01 . 1 . . . . . 19 THR MG . 50901 1 26 . 1 . 1 3 3 THR CA C 13 59.7 0.1 . 1 . . . . . 19 THR CA . 50901 1 27 . 1 . 1 3 3 THR CB C 13 72.6 0.1 . 1 . . . . . 19 THR CB . 50901 1 28 . 1 . 1 3 3 THR N N 15 116.4 0.1 . 1 . . . . . 19 THR N . 50901 1 29 . 1 . 1 4 4 ALA H H 1 9.21 0.01 . 1 . . . . . 20 ALA H . 50901 1 30 . 1 . 1 4 4 ALA HA H 1 5.03 0.01 . 1 . . . . . 20 ALA HA . 50901 1 31 . 1 . 1 4 4 ALA HB1 H 1 1.13 0.01 . 1 . . . . . 20 ALA MB . 50901 1 32 . 1 . 1 4 4 ALA HB2 H 1 1.13 0.01 . 1 . . . . . 20 ALA MB . 50901 1 33 . 1 . 1 4 4 ALA HB3 H 1 1.13 0.01 . 1 . . . . . 20 ALA MB . 50901 1 34 . 1 . 1 4 4 ALA CA C 13 50.6 0.1 . 1 . . . . . 20 ALA CA . 50901 1 35 . 1 . 1 4 4 ALA CB C 13 24.6 0.1 . 1 . . . . . 20 ALA CB . 50901 1 36 . 1 . 1 4 4 ALA N N 15 121.6 0.1 . 1 . . . . . 20 ALA N . 50901 1 37 . 1 . 1 5 5 ILE H H 1 8.65 0.01 . 1 . . . . . 21 ILE H . 50901 1 38 . 1 . 1 5 5 ILE HA H 1 4.91 0.01 . 1 . . . . . 21 ILE HA . 50901 1 39 . 1 . 1 5 5 ILE HB H 1 1.42 0.01 . 1 . . . . . 21 ILE HB . 50901 1 40 . 1 . 1 5 5 ILE HG21 H 1 0.83 0.01 . 1 . . . . . 21 ILE MG . 50901 1 41 . 1 . 1 5 5 ILE HG22 H 1 0.83 0.01 . 1 . . . . . 21 ILE MG . 50901 1 42 . 1 . 1 5 5 ILE HG23 H 1 0.83 0.01 . 1 . . . . . 21 ILE MG . 50901 1 43 . 1 . 1 5 5 ILE CA C 13 57.7 0.1 . 1 . . . . . 21 ILE CA . 50901 1 44 . 1 . 1 5 5 ILE CB C 13 41.3 0.1 . 1 . . . . . 21 ILE CB . 50901 1 45 . 1 . 1 5 5 ILE N N 15 117.6 0.1 . 1 . . . . . 21 ILE N . 50901 1 46 . 1 . 1 6 6 ALA H H 1 8.66 0.01 . 1 . . . . . 22 ALA H . 50901 1 47 . 1 . 1 6 6 ALA HA H 1 3.92 0.01 . 1 . . . . . 22 ALA HA . 50901 1 48 . 1 . 1 6 6 ALA HB1 H 1 1.09 0.01 . 1 . . . . . 22 ALA MB . 50901 1 49 . 1 . 1 6 6 ALA HB2 H 1 1.09 0.01 . 1 . . . . . 22 ALA MB . 50901 1 50 . 1 . 1 6 6 ALA HB3 H 1 1.09 0.01 . 1 . . . . . 22 ALA MB . 50901 1 51 . 1 . 1 6 6 ALA CA C 13 52.5 0.1 . 1 . . . . . 22 ALA CA . 50901 1 52 . 1 . 1 6 6 ALA CB C 13 20.1 0.1 . 1 . . . . . 22 ALA CB . 50901 1 53 . 1 . 1 6 6 ALA N N 15 127.3 0.1 . 1 . . . . . 22 ALA N . 50901 1 54 . 1 . 1 7 7 LEU H H 1 9.15 0.01 . 1 . . . . . 23 LEU H . 50901 1 55 . 1 . 1 7 7 LEU HA H 1 3.98 0.01 . 1 . . . . . 23 LEU HA . 50901 1 56 . 1 . 1 7 7 LEU HB2 H 1 0.92 0.01 . 2 . . . . . 23 LEU HB2 . 50901 1 57 . 1 . 1 7 7 LEU HB3 H 1 0.46 0.01 . 1 . . . . . 23 LEU HB3 . 50901 1 58 . 1 . 1 7 7 LEU HG H 1 1.23 0.01 . 1 . . . . . 23 LEU HG . 50901 1 59 . 1 . 1 7 7 LEU HD11 H 1 0.58 0.01 . 2 . . . . . 23 LEU HD1# . 50901 1 60 . 1 . 1 7 7 LEU HD12 H 1 0.58 0.01 . 2 . . . . . 23 LEU HD1# . 50901 1 61 . 1 . 1 7 7 LEU HD13 H 1 0.58 0.01 . 2 . . . . . 23 LEU HD1# . 50901 1 62 . 1 . 1 7 7 LEU HD21 H 1 0.58 0.01 . 2 . . . . . 23 LEU HD2# . 50901 1 63 . 1 . 1 7 7 LEU HD22 H 1 0.58 0.01 . 2 . . . . . 23 LEU HD2# . 50901 1 64 . 1 . 1 7 7 LEU HD23 H 1 0.58 0.01 . 2 . . . . . 23 LEU HD2# . 50901 1 65 . 1 . 1 7 7 LEU CA C 13 55.3 0.1 . 1 . . . . . 23 LEU CA . 50901 1 66 . 1 . 1 7 7 LEU CB C 13 43.3 0.1 . 1 . . . . . 23 LEU CB . 50901 1 67 . 1 . 1 7 7 LEU N N 15 124.3 0.1 . 1 . . . . . 23 LEU N . 50901 1 68 . 1 . 1 8 8 TYR H H 1 7.01 0.01 . 1 . . . . . 24 TYR H . 50901 1 69 . 1 . 1 8 8 TYR HA H 1 4.88 0.01 . 1 . . . . . 24 TYR HA . 50901 1 70 . 1 . 1 8 8 TYR HB2 H 1 3.25 0.01 . 2 . . . . . 24 TYR HB2 . 50901 1 71 . 1 . 1 8 8 TYR HB3 H 1 2.36 0.01 . 1 . . . . . 24 TYR HB3 . 50901 1 72 . 1 . 1 8 8 TYR HD1 H 1 6.71 0.01 . 3 . . . . . 24 TYR HD1 . 50901 1 73 . 1 . 1 8 8 TYR HD2 H 1 6.71 0.01 . 3 . . . . . 24 TYR HD2 . 50901 1 74 . 1 . 1 8 8 TYR HE1 H 1 6.59 0.01 . 3 . . . . . 24 TYR HE1 . 50901 1 75 . 1 . 1 8 8 TYR HE2 H 1 6.59 0.01 . 3 . . . . . 24 TYR HE2 . 50901 1 76 . 1 . 1 8 8 TYR CA C 13 54 0.1 . 1 . . . . . 24 TYR CA . 50901 1 77 . 1 . 1 8 8 TYR CB C 13 42.4 0.1 . 1 . . . . . 24 TYR CB . 50901 1 78 . 1 . 1 8 8 TYR CD1 C 13 133.6 0.1 . 3 . . . . . 24 TYR CD1 . 50901 1 79 . 1 . 1 8 8 TYR CD2 C 13 133.6 0.1 . 3 . . . . . 24 TYR CD2 . 50901 1 80 . 1 . 1 8 8 TYR CE1 C 13 117.7 0.1 . 3 . . . . . 24 TYR CE1 . 50901 1 81 . 1 . 1 8 8 TYR CE2 C 13 117.7 0.1 . 3 . . . . . 24 TYR CE2 . 50901 1 82 . 1 . 1 8 8 TYR N N 15 113.7 0.1 . 1 . . . . . 24 TYR N . 50901 1 83 . 1 . 1 9 9 ASP H H 1 8.44 0.01 . 1 . . . . . 25 ASP H . 50901 1 84 . 1 . 1 9 9 ASP HA H 1 4.89 0.01 . 1 . . . . . 25 ASP HA . 50901 1 85 . 1 . 1 9 9 ASP HB2 H 1 2.73 0.01 . 2 . . . . . 25 ASP HB2 . 50901 1 86 . 1 . 1 9 9 ASP HB3 H 1 2.68 0.01 . 1 . . . . . 25 ASP HB3 . 50901 1 87 . 1 . 1 9 9 ASP CA C 13 53.8 0.1 . 1 . . . . . 25 ASP CA . 50901 1 88 . 1 . 1 9 9 ASP CB C 13 42.2 0.1 . 1 . . . . . 25 ASP CB . 50901 1 89 . 1 . 1 9 9 ASP N N 15 115.2 0.1 . 1 . . . . . 25 ASP N . 50901 1 90 . 1 . 1 10 10 TYR H H 1 8.65 0.01 . 1 . . . . . 26 TYR H . 50901 1 91 . 1 . 1 10 10 TYR HA H 1 4.42 0.01 . 1 . . . . . 26 TYR HA . 50901 1 92 . 1 . 1 10 10 TYR HB2 H 1 2.49 0.01 . 2 . . . . . 26 TYR HB2 . 50901 1 93 . 1 . 1 10 10 TYR HB3 H 1 1.22 0.01 . 1 . . . . . 26 TYR HB3 . 50901 1 94 . 1 . 1 10 10 TYR HD1 H 1 6.87 0.01 . 3 . . . . . 26 TYR HD1 . 50901 1 95 . 1 . 1 10 10 TYR HD2 H 1 6.87 0.01 . 3 . . . . . 26 TYR HD2 . 50901 1 96 . 1 . 1 10 10 TYR HE1 H 1 6.77 0.01 . 3 . . . . . 26 TYR HE1 . 50901 1 97 . 1 . 1 10 10 TYR HE2 H 1 6.77 0.01 . 3 . . . . . 26 TYR HE2 . 50901 1 98 . 1 . 1 10 10 TYR CA C 13 59.3 0.1 . 1 . . . . . 26 TYR CA . 50901 1 99 . 1 . 1 10 10 TYR CB C 13 42.4 0.1 . 1 . . . . . 26 TYR CB . 50901 1 100 . 1 . 1 10 10 TYR CD1 C 13 132.9 0.1 . 3 . . . . . 26 TYR CD1 . 50901 1 101 . 1 . 1 10 10 TYR CD2 C 13 132.9 0.1 . 3 . . . . . 26 TYR CD2 . 50901 1 102 . 1 . 1 10 10 TYR CE1 C 13 117.5 0.1 . 3 . . . . . 26 TYR CE1 . 50901 1 103 . 1 . 1 10 10 TYR CE2 C 13 117.5 0.1 . 3 . . . . . 26 TYR CE2 . 50901 1 104 . 1 . 1 10 10 TYR N N 15 121.0 0.1 . 1 . . . . . 26 TYR N . 50901 1 105 . 1 . 1 11 11 GLN H H 1 7.11 0.01 . 1 . . . . . 27 GLN H . 50901 1 106 . 1 . 1 11 11 GLN HA H 1 4.27 0.01 . 1 . . . . . 27 GLN HA . 50901 1 107 . 1 . 1 11 11 GLN HB2 H 1 1.65 0.01 . 2 . . . . . 27 GLN HB2 . 50901 1 108 . 1 . 1 11 11 GLN HB3 H 1 1.65 0.01 . 1 . . . . . 27 GLN HB3 . 50901 1 109 . 1 . 1 11 11 GLN HG2 H 1 2.19 0.01 . 2 . . . . . 27 GLN HG2 . 50901 1 110 . 1 . 1 11 11 GLN HG3 H 1 2.11 0.01 . 2 . . . . . 27 GLN HG3 . 50901 1 111 . 1 . 1 11 11 GLN HE21 H 1 7.73 0.01 . 2 . . . . . 27 GLN HE21 . 50901 1 112 . 1 . 1 11 11 GLN HE22 H 1 7.13 0.01 . 2 . . . . . 27 GLN HE22 . 50901 1 113 . 1 . 1 11 11 GLN CA C 13 53 0.1 . 1 . . . . . 27 GLN CA . 50901 1 114 . 1 . 1 11 11 GLN CB C 13 29.2 0.1 . 1 . . . . . 27 GLN CB . 50901 1 115 . 1 . 1 11 11 GLN N N 15 126.6 0.1 . 1 . . . . . 27 GLN N . 50901 1 116 . 1 . 1 11 11 GLN NE2 N 15 114.9 0.1 . 1 . . . . . 27 GLN NE2 . 50901 1 117 . 1 . 1 12 12 ALA H H 1 8.18 0.01 . 1 . . . . . 28 ALA H . 50901 1 118 . 1 . 1 12 12 ALA HA H 1 4.05 0.01 . 1 . . . . . 28 ALA HA . 50901 1 119 . 1 . 1 12 12 ALA HB1 H 1 1.11 0.01 . 1 . . . . . 28 ALA MB . 50901 1 120 . 1 . 1 12 12 ALA HB2 H 1 1.11 0.01 . 1 . . . . . 28 ALA MB . 50901 1 121 . 1 . 1 12 12 ALA HB3 H 1 1.11 0.01 . 1 . . . . . 28 ALA MB . 50901 1 122 . 1 . 1 12 12 ALA CA C 13 52.8 0.1 . 1 . . . . . 28 ALA CA . 50901 1 123 . 1 . 1 12 12 ALA CB C 13 20.1 0.1 . 1 . . . . . 28 ALA CB . 50901 1 124 . 1 . 1 12 12 ALA N N 15 126.1 0.1 . 1 . . . . . 28 ALA N . 50901 1 125 . 1 . 1 13 13 ALA H H 1 9.00 0.01 . 1 . . . . . 29 ALA H . 50901 1 126 . 1 . 1 13 13 ALA HA H 1 4.32 0.01 . 1 . . . . . 29 ALA HA . 50901 1 127 . 1 . 1 13 13 ALA HB1 H 1 1.45 0.01 . 1 . . . . . 29 ALA MB . 50901 1 128 . 1 . 1 13 13 ALA HB2 H 1 1.45 0.01 . 1 . . . . . 29 ALA MB . 50901 1 129 . 1 . 1 13 13 ALA HB3 H 1 1.45 0.01 . 1 . . . . . 29 ALA MB . 50901 1 130 . 1 . 1 13 13 ALA CA C 13 51.4 0.1 . 1 . . . . . 29 ALA CA . 50901 1 131 . 1 . 1 13 13 ALA CB C 13 18.9 0.1 . 1 . . . . . 29 ALA CB . 50901 1 132 . 1 . 1 13 13 ALA N N 15 126.4 0.1 . 1 . . . . . 29 ALA N . 50901 1 133 . 1 . 1 14 14 GLY H H 1 7.12 0.01 . 1 . . . . . 30 GLY H . 50901 1 134 . 1 . 1 14 14 GLY HA2 H 1 4.11 0.01 . 2 . . . . . 30 GLY HA2 . 50901 1 135 . 1 . 1 14 14 GLY HA3 H 1 3.97 0.01 . 2 . . . . . 30 GLY HA3 . 50901 1 136 . 1 . 1 14 14 GLY CA C 13 44.60 0.1 . 1 . . . . . 30 GLY CA . 50901 1 137 . 1 . 1 14 14 GLY N N 15 103.90 0.1 . 1 . . . . . 30 GLY N . 50901 1 138 . 1 . 1 15 15 ASP H H 1 8.63 0.01 . 1 . . . . . 31 ASP H . 50901 1 139 . 1 . 1 15 15 ASP HA H 1 4.43 0.01 . 1 . . . . . 31 ASP HA . 50901 1 140 . 1 . 1 15 15 ASP HB2 H 1 2.76 0.01 . 1 . . . . . 31 ASP HB2 . 50901 1 141 . 1 . 1 15 15 ASP HB3 H 1 2.63 0.01 . 2 . . . . . 31 ASP HB3 . 50901 1 142 . 1 . 1 15 15 ASP CA C 13 56.2 0.1 . 1 . . . . . 31 ASP CA . 50901 1 143 . 1 . 1 15 15 ASP CB C 13 40.5 0.1 . 1 . . . . . 31 ASP CB . 50901 1 144 . 1 . 1 15 15 ASP N N 15 118.8 0.1 . 1 . . . . . 31 ASP N . 50901 1 145 . 1 . 1 16 16 ASP H H 1 8.80 0.01 . 1 . . . . . 32 ASP H . 50901 1 146 . 1 . 1 16 16 ASP HA H 1 4.72 0.01 . 1 . . . . . 32 ASP HA . 50901 1 147 . 1 . 1 16 16 ASP HB2 H 1 2.85 0.01 . 2 . . . . . 32 ASP HB2 . 50901 1 148 . 1 . 1 16 16 ASP HB3 H 1 2.68 0.01 . 2 . . . . . 32 ASP HB3 . 50901 1 149 . 1 . 1 16 16 ASP CA C 13 52.9 0.1 . 1 . . . . . 32 ASP CA . 50901 1 150 . 1 . 1 16 16 ASP CB C 13 39.3 0.1 . 1 . . . . . 32 ASP CB . 50901 1 151 . 1 . 1 16 16 ASP N N 15 115.7 0.1 . 1 . . . . . 32 ASP N . 50901 1 152 . 1 . 1 17 17 GLU H H 1 7.58 0.01 . 1 . . . . . 33 GLU H . 50901 1 153 . 1 . 1 17 17 GLU HA H 1 5.45 0.01 . 1 . . . . . 33 GLU HA . 50901 1 154 . 1 . 1 17 17 GLU HB2 H 1 2.78 0.01 . 2 . . . . . 33 GLU HB2 . 50901 1 155 . 1 . 1 17 17 GLU HB3 H 1 2.03 0.01 . 2 . . . . . 33 GLU HB3 . 50901 1 156 . 1 . 1 17 17 GLU HG2 H 1 2.23 0.01 . 2 . . . . . 33 GLU HG2 . 50901 1 157 . 1 . 1 17 17 GLU HG3 H 1 2.16 0.01 . 2 . . . . . 33 GLU HG3 . 50901 1 158 . 1 . 1 17 17 GLU CA C 13 54.9 0.1 . 1 . . . . . 33 GLU CA . 50901 1 159 . 1 . 1 17 17 GLU CB C 13 34.2 0.1 . 1 . . . . . 33 GLU CB . 50901 1 160 . 1 . 1 17 17 GLU CG C 13 36.10 0.1 . 1 . . . . . 33 GLU CG . 50901 1 161 . 1 . 1 17 17 GLU N N 15 120.0 0.1 . 1 . . . . . 33 GLU N . 50901 1 162 . 1 . 1 18 18 ILE H H 1 8.11 0.01 . 1 . . . . . 34 ILE H . 50901 1 163 . 1 . 1 18 18 ILE HA H 1 4.66 0.01 . 1 . . . . . 34 ILE HA . 50901 1 164 . 1 . 1 18 18 ILE HB H 1 2.04 0.01 . 1 . . . . . 34 ILE HB . 50901 1 165 . 1 . 1 18 18 ILE CA C 13 60 0.1 . 1 . . . . . 34 ILE CA . 50901 1 166 . 1 . 1 18 18 ILE CB C 13 40.9 0.1 . 1 . . . . . 34 ILE CB . 50901 1 167 . 1 . 1 18 18 ILE N N 15 112.1 0.1 . 1 . . . . . 34 ILE N . 50901 1 168 . 1 . 1 19 19 SER H H 1 6.99 0.01 . 1 . . . . . 35 SER H . 50901 1 169 . 1 . 1 19 19 SER HA H 1 4.96 0.01 . 1 . . . . . 35 SER HA . 50901 1 170 . 1 . 1 19 19 SER HB2 H 1 4.02 0.01 . 2 . . . . . 35 SER HB2 . 50901 1 171 . 1 . 1 19 19 SER HB3 H 1 3.52 0.01 . 2 . . . . . 35 SER HB3 . 50901 1 172 . 1 . 1 19 19 SER CA C 13 56.2 0.1 . 1 . . . . . 35 SER CA . 50901 1 173 . 1 . 1 19 19 SER CB C 13 66.1 0.1 . 1 . . . . . 35 SER CB . 50901 1 174 . 1 . 1 19 19 SER N N 15 108.9 0.1 . 1 . . . . . 35 SER N . 50901 1 175 . 1 . 1 20 20 PHE H H 1 8.58 0.01 . 1 . . . . . 36 PHE H . 50901 1 176 . 1 . 1 20 20 PHE HA H 1 4.73 0.01 . 1 . . . . . 36 PHE HA . 50901 1 177 . 1 . 1 20 20 PHE HB2 H 1 3.77 0.01 . 2 . . . . . 36 PHE HB2 . 50901 1 178 . 1 . 1 20 20 PHE HB3 H 1 3.17 0.01 . 2 . . . . . 36 PHE HB3 . 50901 1 179 . 1 . 1 20 20 PHE HD1 H 1 6.82 0.01 . 3 . . . . . 36 PHE HD1 . 50901 1 180 . 1 . 1 20 20 PHE HD2 H 1 6.82 0.01 . 3 . . . . . 36 PHE HD2 . 50901 1 181 . 1 . 1 20 20 PHE HE1 H 1 7.02 0.01 . 3 . . . . . 36 PHE HE1 . 50901 1 182 . 1 . 1 20 20 PHE HE2 H 1 7.02 0.01 . 3 . . . . . 36 PHE HE2 . 50901 1 183 . 1 . 1 20 20 PHE HZ H 1 6.68 0.01 . 1 . . . . . 36 PHE HZ . 50901 1 184 . 1 . 1 20 20 PHE CA C 13 55.52 0.1 . 1 . . . . . 36 PHE CA . 50901 1 185 . 1 . 1 20 20 PHE CB C 13 40.47 0.1 . 1 . . . . . 36 PHE CB . 50901 1 186 . 1 . 1 20 20 PHE N N 15 115.9 0.1 . 1 . . . . . 36 PHE N . 50901 1 187 . 1 . 1 21 21 ASP H H 1 9.46 0.01 . 1 . . . . . 37 ASP H . 50901 1 188 . 1 . 1 21 21 ASP HA H 1 5.17 0.01 . 1 . . . . . 37 ASP HA . 50901 1 189 . 1 . 1 21 21 ASP HB2 H 1 2.64 0.01 . 2 . . . . . 37 ASP HB2 . 50901 1 190 . 1 . 1 21 21 ASP HB3 H 1 2.27 0.01 . 2 . . . . . 37 ASP HB3 . 50901 1 191 . 1 . 1 21 21 ASP CA C 13 51.5 0.1 . 1 . . . . . 37 ASP CA . 50901 1 192 . 1 . 1 21 21 ASP CB C 13 41 0.1 . 1 . . . . . 37 ASP CB . 50901 1 193 . 1 . 1 21 21 ASP N N 15 121.0 0.1 . 1 . . . . . 37 ASP N . 50901 1 194 . 1 . 1 22 22 PRO HB2 H 1 1.93 0.01 . 2 . . . . . 38 PRO HB2 . 50901 1 195 . 1 . 1 22 22 PRO HB3 H 1 1.67 0.01 . 2 . . . . . 38 PRO HB3 . 50901 1 196 . 1 . 1 22 22 PRO HG2 H 1 2.15 0.01 . 2 . . . . . 38 PRO HG2 . 50901 1 197 . 1 . 1 22 22 PRO HG3 H 1 1.85 0.01 . 2 . . . . . 38 PRO HG3 . 50901 1 198 . 1 . 1 22 22 PRO HD2 H 1 3.67 0.01 . 2 . . . . . 38 PRO HD2 . 50901 1 199 . 1 . 1 22 22 PRO HD3 H 1 3.53 0.01 . 2 . . . . . 38 PRO HD3 . 50901 1 200 . 1 . 1 22 22 PRO CA C 13 63.75 0.1 . 1 . . . . . 38 PRO CA . 50901 1 201 . 1 . 1 22 22 PRO CB C 13 30.69 0.1 . 1 . . . . . 38 PRO CB . 50901 1 202 . 1 . 1 23 23 ASP H H 1 8.68 0.01 . 1 . . . . . 39 ASP H . 50901 1 203 . 1 . 1 23 23 ASP HA H 1 4.07 0.01 . 1 . . . . . 39 ASP HA . 50901 1 204 . 1 . 1 23 23 ASP HB2 H 1 3.28 0.01 . 2 . . . . . 39 ASP HB2 . 50901 1 205 . 1 . 1 23 23 ASP HB3 H 1 2.78 0.01 . 2 . . . . . 39 ASP HB3 . 50901 1 206 . 1 . 1 23 23 ASP CA C 13 57.1 0.1 . 1 . . . . . 39 ASP CA . 50901 1 207 . 1 . 1 23 23 ASP CB C 13 38.9 0.1 . 1 . . . . . 39 ASP CB . 50901 1 208 . 1 . 1 23 23 ASP N N 15 115.5 0.1 . 1 . . . . . 39 ASP N . 50901 1 209 . 1 . 1 24 24 ASP H H 1 7.95 0.01 . 1 . . . . . 40 ASP H . 50901 1 210 . 1 . 1 24 24 ASP HA H 1 4.58 0.01 . 1 . . . . . 40 ASP HA . 50901 1 211 . 1 . 1 24 24 ASP HB2 H 1 2.94 0.01 . 2 . . . . . 40 ASP HB2 . 50901 1 212 . 1 . 1 24 24 ASP HB3 H 1 2.34 0.01 . 2 . . . . . 40 ASP HB3 . 50901 1 213 . 1 . 1 24 24 ASP CA C 13 55.5 0.1 . 1 . . . . . 40 ASP CA . 50901 1 214 . 1 . 1 24 24 ASP CB C 13 41.5 0.1 . 1 . . . . . 40 ASP CB . 50901 1 215 . 1 . 1 24 24 ASP N N 15 121.6 0.1 . 1 . . . . . 40 ASP N . 50901 1 216 . 1 . 1 25 25 ILE H H 1 8.22 0.01 . 1 . . . . . 41 ILE H . 50901 1 217 . 1 . 1 25 25 ILE HA H 1 4.69 0.01 . 1 . . . . . 41 ILE HA . 50901 1 218 . 1 . 1 25 25 ILE HB H 1 1.78 0.01 . 1 . . . . . 41 ILE HB . 50901 1 219 . 1 . 1 25 25 ILE HG12 H 1 1.50 0.01 . 2 . . . . . 41 ILE HG12 . 50901 1 220 . 1 . 1 25 25 ILE HG13 H 1 1.24 0.01 . 2 . . . . . 41 ILE HG13 . 50901 1 221 . 1 . 1 25 25 ILE HG21 H 1 0.79 0.01 . 1 . . . . . 41 ILE MG . 50901 1 222 . 1 . 1 25 25 ILE HG22 H 1 0.79 0.01 . 1 . . . . . 41 ILE MG . 50901 1 223 . 1 . 1 25 25 ILE HG23 H 1 0.79 0.01 . 1 . . . . . 41 ILE MG . 50901 1 224 . 1 . 1 25 25 ILE HD11 H 1 0.74 0.01 . 1 . . . . . 41 ILE MD . 50901 1 225 . 1 . 1 25 25 ILE HD12 H 1 0.74 0.01 . 1 . . . . . 41 ILE MD . 50901 1 226 . 1 . 1 25 25 ILE HD13 H 1 0.74 0.01 . 1 . . . . . 41 ILE MD . 50901 1 227 . 1 . 1 25 25 ILE CA C 13 58.9 0.1 . 1 . . . . . 41 ILE CA . 50901 1 228 . 1 . 1 25 25 ILE CB C 13 38.5 0.1 . 1 . . . . . 41 ILE CB . 50901 1 229 . 1 . 1 25 25 ILE N N 15 118.6 0.1 . 1 . . . . . 41 ILE N . 50901 1 230 . 1 . 1 26 26 ILE H H 1 8.92 0.01 . 1 . . . . . 42 ILE H . 50901 1 231 . 1 . 1 26 26 ILE HG12 H 1 0.91 0.01 . 2 . . . . . 42 ILE HG12 . 50901 1 232 . 1 . 1 26 26 ILE HG13 H 1 0.30 0.01 . 2 . . . . . 42 ILE HG13 . 50901 1 233 . 1 . 1 26 26 ILE HG21 H 1 0.56 0.01 . 1 . . . . . 42 ILE MG . 50901 1 234 . 1 . 1 26 26 ILE HG22 H 1 0.56 0.01 . 1 . . . . . 42 ILE MG . 50901 1 235 . 1 . 1 26 26 ILE HG23 H 1 0.56 0.01 . 1 . . . . . 42 ILE MG . 50901 1 236 . 1 . 1 26 26 ILE HD11 H 1 -0.29 0.01 . 1 . . . . . 42 ILE MD . 50901 1 237 . 1 . 1 26 26 ILE HD12 H 1 -0.29 0.01 . 1 . . . . . 42 ILE MD . 50901 1 238 . 1 . 1 26 26 ILE HD13 H 1 -0.29 0.01 . 1 . . . . . 42 ILE MD . 50901 1 239 . 1 . 1 26 26 ILE CA C 13 60 0.1 . 1 . . . . . 42 ILE CA . 50901 1 240 . 1 . 1 26 26 ILE CB C 13 40.4 0.1 . 1 . . . . . 42 ILE CB . 50901 1 241 . 1 . 1 26 26 ILE N N 15 130.2 0.1 . 1 . . . . . 42 ILE N . 50901 1 242 . 1 . 1 27 27 THR H H 1 9.40 0.01 . 1 . . . . . 43 THR H . 50901 1 243 . 1 . 1 27 27 THR HA H 1 5.03 0.01 . 1 . . . . . 43 THR HA . 50901 1 244 . 1 . 1 27 27 THR HB H 1 4.56 0.01 . 1 . . . . . 43 THR HB . 50901 1 245 . 1 . 1 27 27 THR CA C 13 60 0.1 . 1 . . . . . 43 THR CA . 50901 1 246 . 1 . 1 27 27 THR CB C 13 71.1 0.1 . 1 . . . . . 43 THR CB . 50901 1 247 . 1 . 1 27 27 THR N N 15 114.8 0.1 . 1 . . . . . 43 THR N . 50901 1 248 . 1 . 1 28 28 ASN H H 1 8.86 0.01 . 1 . . . . . 44 ASN H . 50901 1 249 . 1 . 1 28 28 ASN HA H 1 4.28 0.01 . 1 . . . . . 44 ASN HA . 50901 1 250 . 1 . 1 28 28 ASN HB2 H 1 2.86 0.01 . 2 . . . . . 44 ASN HB2 . 50901 1 251 . 1 . 1 28 28 ASN HB3 H 1 2.70 0.01 . 2 . . . . . 44 ASN HB3 . 50901 1 252 . 1 . 1 28 28 ASN HD21 H 1 7.51 0.01 . 2 . . . . . 44 ASN HD21 . 50901 1 253 . 1 . 1 28 28 ASN HD22 H 1 6.91 0.01 . 2 . . . . . 44 ASN HD22 . 50901 1 254 . 1 . 1 28 28 ASN CA C 13 55 0.1 . 1 . . . . . 44 ASN CA . 50901 1 255 . 1 . 1 28 28 ASN CB C 13 37.2 0.1 . 1 . . . . . 44 ASN CB . 50901 1 256 . 1 . 1 28 28 ASN N N 15 115.2 0.1 . 1 . . . . . 44 ASN N . 50901 1 257 . 1 . 1 28 28 ASN ND2 N 15 111.7 0.1 . 1 . . . . . 44 ASN ND2 . 50901 1 258 . 1 . 1 29 29 ILE H H 1 8.52 0.01 . 1 . . . . . 45 ILE H . 50901 1 259 . 1 . 1 29 29 ILE HA H 1 4.75 0.01 . 1 . . . . . 45 ILE HA . 50901 1 260 . 1 . 1 29 29 ILE HG13 H 1 1.08 0.01 . 2 . . . . . 45 ILE HG13 . 50901 1 261 . 1 . 1 29 29 ILE HG21 H 1 0.54 0.01 . 1 . . . . . 45 ILE MG . 50901 1 262 . 1 . 1 29 29 ILE HG22 H 1 0.54 0.01 . 1 . . . . . 45 ILE MG . 50901 1 263 . 1 . 1 29 29 ILE HG23 H 1 0.54 0.01 . 1 . . . . . 45 ILE MG . 50901 1 264 . 1 . 1 29 29 ILE CA C 13 62.8 0.1 . 1 . . . . . 45 ILE CA . 50901 1 265 . 1 . 1 29 29 ILE CB C 13 38.1 0.1 . 1 . . . . . 45 ILE CB . 50901 1 266 . 1 . 1 29 29 ILE N N 15 116.4 0.1 . 1 . . . . . 45 ILE N . 50901 1 267 . 1 . 1 30 30 GLU H H 1 9.40 0.01 . 1 . . . . . 46 GLU H . 50901 1 268 . 1 . 1 30 30 GLU HA H 1 4.33 0.01 . 1 . . . . . 46 GLU HA . 50901 1 269 . 1 . 1 30 30 GLU HB2 H 1 1.98 0.01 . 2 . . . . . 46 GLU HB2 . 50901 1 270 . 1 . 1 30 30 GLU HB3 H 1 1.90 0.01 . 2 . . . . . 46 GLU HB3 . 50901 1 271 . 1 . 1 30 30 GLU HG2 H 1 2.29 0.01 . 2 . . . . . 46 GLU HG2 . 50901 1 272 . 1 . 1 30 30 GLU HG3 H 1 2.12 0.01 . 2 . . . . . 46 GLU HG3 . 50901 1 273 . 1 . 1 30 30 GLU CA C 13 54.2 0.1 . 1 . . . . . 46 GLU CA . 50901 1 274 . 1 . 1 30 30 GLU CB C 13 32.3 0.1 . 1 . . . . . 46 GLU CB . 50901 1 275 . 1 . 1 30 30 GLU N N 15 126.5 0.1 . 1 . . . . . 46 GLU N . 50901 1 276 . 1 . 1 31 31 MET H H 1 8.69 0.01 . 1 . . . . . 47 MET H . 50901 1 277 . 1 . 1 31 31 MET HA H 1 3.70 0.01 . 1 . . . . . 47 MET HA . 50901 1 278 . 1 . 1 31 31 MET HB2 H 1 1.62 0.01 . 2 . . . . . 47 MET HB2 . 50901 1 279 . 1 . 1 31 31 MET HB3 H 1 1.40 0.01 . 2 . . . . . 47 MET HB3 . 50901 1 280 . 1 . 1 31 31 MET HG2 H 1 1.46 0.01 . 2 . . . . . 47 MET HG2 . 50901 1 281 . 1 . 1 31 31 MET HG3 H 1 0.34 0.01 . 2 . . . . . 47 MET HG3 . 50901 1 282 . 1 . 1 31 31 MET CA C 13 55.1 0.1 . 1 . . . . . 47 MET CA . 50901 1 283 . 1 . 1 31 31 MET CB C 13 30 0.1 . 1 . . . . . 47 MET CB . 50901 1 284 . 1 . 1 31 31 MET N N 15 126.3 0.1 . 1 . . . . . 47 MET N . 50901 1 285 . 1 . 1 32 32 ILE H H 1 7.33 0.01 . 1 . . . . . 48 ILE H . 50901 1 286 . 1 . 1 32 32 ILE HA H 1 3.96 0.01 . 1 . . . . . 48 ILE HA . 50901 1 287 . 1 . 1 32 32 ILE HB H 1 2.17 0.01 . 1 . . . . . 48 ILE HB . 50901 1 288 . 1 . 1 32 32 ILE HG12 H 1 1.43 0.01 . 2 . . . . . 48 ILE HG12 . 50901 1 289 . 1 . 1 32 32 ILE HG13 H 1 1.19 0.01 . 2 . . . . . 48 ILE HG13 . 50901 1 290 . 1 . 1 32 32 ILE HG21 H 1 0.91 0.01 . 1 . . . . . 48 ILE MG . 50901 1 291 . 1 . 1 32 32 ILE HG22 H 1 0.91 0.01 . 1 . . . . . 48 ILE MG . 50901 1 292 . 1 . 1 32 32 ILE HG23 H 1 0.91 0.01 . 1 . . . . . 48 ILE MG . 50901 1 293 . 1 . 1 32 32 ILE HD11 H 1 0.74 0.01 . 1 . . . . . 48 ILE MD . 50901 1 294 . 1 . 1 32 32 ILE HD12 H 1 0.74 0.01 . 1 . . . . . 48 ILE MD . 50901 1 295 . 1 . 1 32 32 ILE HD13 H 1 0.74 0.01 . 1 . . . . . 48 ILE MD . 50901 1 296 . 1 . 1 32 32 ILE CA C 13 62.8 0.1 . 1 . . . . . 48 ILE CA . 50901 1 297 . 1 . 1 32 32 ILE CB C 13 37.6 0.1 . 1 . . . . . 48 ILE CB . 50901 1 298 . 1 . 1 32 32 ILE CG2 C 13 18.30 0.1 . 1 . . . . . 48 ILE CG2 . 50901 1 299 . 1 . 1 32 32 ILE CD1 C 13 12.70 0.1 . 1 . . . . . 48 ILE CD1 . 50901 1 300 . 1 . 1 32 32 ILE N N 15 121.5 0.1 . 1 . . . . . 48 ILE N . 50901 1 301 . 1 . 1 33 33 ASP H H 1 8.3 0.01 . 1 . . . . . 49 ASP H . 50901 1 302 . 1 . 1 33 33 ASP HA H 1 4.71 0.01 . 1 . . . . . 49 ASP HA . 50901 1 303 . 1 . 1 33 33 ASP HB2 H 1 3.05 0.01 . 2 . . . . . 49 ASP HB2 . 50901 1 304 . 1 . 1 33 33 ASP CA C 13 53.6 0.1 . 1 . . . . . 49 ASP CA . 50901 1 305 . 1 . 1 33 33 ASP CB C 13 42.9 0.1 . 1 . . . . . 49 ASP CB . 50901 1 306 . 1 . 1 33 33 ASP N N 15 119.6 0.1 . 1 . . . . . 49 ASP N . 50901 1 307 . 1 . 1 34 34 ASP H H 1 8.19 0.01 . 1 . . . . . 50 ASP H . 50901 1 308 . 1 . 1 34 34 ASP HA H 1 4.56 0.01 . 1 . . . . . 50 ASP HA . 50901 1 309 . 1 . 1 34 34 ASP HB2 H 1 2.68 0.01 . 2 . . . . . 50 ASP HB2 . 50901 1 310 . 1 . 1 34 34 ASP CA C 13 55.7 0.1 . 1 . . . . . 50 ASP CA . 50901 1 311 . 1 . 1 34 34 ASP CB C 13 40.5 0.1 . 1 . . . . . 50 ASP CB . 50901 1 312 . 1 . 1 34 34 ASP N N 15 115.6 0.1 . 1 . . . . . 50 ASP N . 50901 1 313 . 1 . 1 35 35 GLY H H 1 8.76 0.01 . 1 . . . . . 51 GLY H . 50901 1 314 . 1 . 1 35 35 GLY HA2 H 1 3.86 0.01 . 2 . . . . . 51 GLY HA2 . 50901 1 315 . 1 . 1 35 35 GLY HA3 H 1 3.67 0.01 . 2 . . . . . 51 GLY HA3 . 50901 1 316 . 1 . 1 35 35 GLY CA C 13 45.3 0.1 . 1 . . . . . 51 GLY CA . 50901 1 317 . 1 . 1 35 35 GLY N N 15 106.4 0.1 . 1 . . . . . 51 GLY N . 50901 1 318 . 1 . 1 36 36 TRP H H 1 8.15 0.01 . 1 . . . . . 52 TRP H . 50901 1 319 . 1 . 1 36 36 TRP HA H 1 4.63 0.01 . 1 . . . . . 52 TRP HA . 50901 1 320 . 1 . 1 36 36 TRP HB2 H 1 2.86 0.01 . 2 . . . . . 52 TRP HB2 . 50901 1 321 . 1 . 1 36 36 TRP HB3 H 1 2.87 0.01 . 2 . . . . . 52 TRP HB3 . 50901 1 322 . 1 . 1 36 36 TRP HD1 H 1 7.10 0.01 . 4 . . . . . 52 TRP HD1 . 50901 1 323 . 1 . 1 36 36 TRP HE1 H 1 9.57 0.01 . 1 . . . . . 52 TRP HE1 . 50901 1 324 . 1 . 1 36 36 TRP HE3 H 1 7.13 0.01 . 1 . . . . . 52 TRP HE3 . 50901 1 325 . 1 . 1 36 36 TRP HZ2 H 1 7.25 0.01 . 4 . . . . . 52 TRP HZ2 . 50901 1 326 . 1 . 1 36 36 TRP HZ3 H 1 6.49 0.01 . 4 . . . . . 52 TRP HZ3 . 50901 1 327 . 1 . 1 36 36 TRP HH2 H 1 7.22 0.01 . 1 . . . . . 52 TRP HH2 . 50901 1 328 . 1 . 1 36 36 TRP CA C 13 56.9 0.1 . 1 . . . . . 52 TRP CA . 50901 1 329 . 1 . 1 36 36 TRP CB C 13 31.1 0.1 . 1 . . . . . 52 TRP CB . 50901 1 330 . 1 . 1 36 36 TRP CD1 C 13 125.80 0.1 . 1 . . . . . 52 TRP CD1 . 50901 1 331 . 1 . 1 36 36 TRP CZ2 C 13 113.70 0.1 . 1 . . . . . 52 TRP CZ2 . 50901 1 332 . 1 . 1 36 36 TRP CH2 C 13 124.90 0.1 . 1 . . . . . 52 TRP CH2 . 50901 1 333 . 1 . 1 36 36 TRP N N 15 123.0 0.1 . 1 . . . . . 52 TRP N . 50901 1 334 . 1 . 1 36 36 TRP NE1 N 15 128.9 0.1 . 1 . . . . . 52 TRP NE1 . 50901 1 335 . 1 . 1 37 37 TRP H H 1 7.99 0.01 . 1 . . . . . 53 TRP H . 50901 1 336 . 1 . 1 37 37 TRP HA H 1 5.18 0.01 . 1 . . . . . 53 TRP HA . 50901 1 337 . 1 . 1 37 37 TRP HB2 H 1 2.84 0.01 . 2 . . . . . 53 TRP HB2 . 50901 1 338 . 1 . 1 37 37 TRP HB3 H 1 1.98 0.01 . 2 . . . . . 53 TRP HB3 . 50901 1 339 . 1 . 1 37 37 TRP HD1 H 1 7.58 0.01 . 4 . . . . . 53 TRP HD1 . 50901 1 340 . 1 . 1 37 37 TRP HE1 H 1 9.70 0.01 . 1 . . . . . 53 TRP HE1 . 50901 1 341 . 1 . 1 37 37 TRP HE3 H 1 7.34 0.01 . 1 . . . . . 53 TRP HE3 . 50901 1 342 . 1 . 1 37 37 TRP HZ2 H 1 7.40 0.01 . 4 . . . . . 53 TRP HZ2 . 50901 1 343 . 1 . 1 37 37 TRP HZ3 H 1 6.72 0.01 . 4 . . . . . 53 TRP HZ3 . 50901 1 344 . 1 . 1 37 37 TRP HH2 H 1 7.11 0.01 . 1 . . . . . 53 TRP HH2 . 50901 1 345 . 1 . 1 37 37 TRP CA C 13 52 0.1 . 1 . . . . . 53 TRP CA . 50901 1 346 . 1 . 1 37 37 TRP CB C 13 34.1 0.1 . 1 . . . . . 53 TRP CB . 50901 1 347 . 1 . 1 37 37 TRP CD1 C 13 124.00 0.1 . 1 . . . . . 53 TRP CD1 . 50901 1 348 . 1 . 1 37 37 TRP CZ2 C 13 114.6 0.1 . 1 . . . . . 53 TRP CZ2 . 50901 1 349 . 1 . 1 37 37 TRP CZ3 C 13 121 0.1 . 1 . . . . . 53 TRP CZ3 . 50901 1 350 . 1 . 1 37 37 TRP CH2 C 13 124.40 0.1 . 1 . . . . . 53 TRP CH2 . 50901 1 351 . 1 . 1 37 37 TRP N N 15 121.0 0.1 . 1 . . . . . 53 TRP N . 50901 1 352 . 1 . 1 37 37 TRP NE1 N 15 127.6 0.1 . 1 . . . . . 53 TRP NE1 . 50901 1 353 . 1 . 1 38 38 ARG H H 1 8.49 0.01 . 1 . . . . . 54 ARG H . 50901 1 354 . 1 . 1 38 38 ARG HA H 1 5.45 0.01 . 1 . . . . . 54 ARG HA . 50901 1 355 . 1 . 1 38 38 ARG HB2 H 1 1.62 0.01 . 2 . . . . . 54 ARG HB2 . 50901 1 356 . 1 . 1 38 38 ARG HB3 H 1 1.52 0.01 . 2 . . . . . 54 ARG HB3 . 50901 1 357 . 1 . 1 38 38 ARG HG2 H 1 1.38 0.01 . 2 . . . . . 54 ARG HG2 . 50901 1 358 . 1 . 1 38 38 ARG HG3 H 1 1.32 0.01 . 2 . . . . . 54 ARG HG3 . 50901 1 359 . 1 . 1 38 38 ARG HD2 H 1 3.01 0.01 . 2 . . . . . 54 ARG HD2 . 50901 1 360 . 1 . 1 38 38 ARG HD3 H 1 2.98 0.01 . 2 . . . . . 54 ARG HD3 . 50901 1 361 . 1 . 1 38 38 ARG CA C 13 54.2 0.1 . 1 . . . . . 54 ARG CA . 50901 1 362 . 1 . 1 38 38 ARG CB C 13 34.6 0.1 . 1 . . . . . 54 ARG CB . 50901 1 363 . 1 . 1 38 38 ARG N N 15 116.1 0.1 . 1 . . . . . 54 ARG N . 50901 1 364 . 1 . 1 39 39 GLY H H 1 8.79 0.01 . 1 . . . . . 55 GLY H . 50901 1 365 . 1 . 1 39 39 GLY HA2 H 1 4.52 0.01 . 2 . . . . . 55 GLY HA2 . 50901 1 366 . 1 . 1 39 39 GLY HA3 H 1 3.89 0.01 . 2 . . . . . 55 GLY HA3 . 50901 1 367 . 1 . 1 39 39 GLY CA C 13 45.7 0.1 . 1 . . . . . 55 GLY CA . 50901 1 368 . 1 . 1 39 39 GLY N N 15 108.0 0.1 . 1 . . . . . 55 GLY N . 50901 1 369 . 1 . 1 40 40 VAL H H 1 8.92 0.01 . 1 . . . . . 56 VAL H . 50901 1 370 . 1 . 1 40 40 VAL HA H 1 5.33 0.01 . 1 . . . . . 56 VAL HA . 50901 1 371 . 1 . 1 40 40 VAL HB H 1 1.96 0.01 . 1 . . . . . 56 VAL HB . 50901 1 372 . 1 . 1 40 40 VAL HG11 H 1 0.91 0.01 . 2 . . . . . 56 VAL HG1# . 50901 1 373 . 1 . 1 40 40 VAL HG12 H 1 0.91 0.01 . 2 . . . . . 56 VAL HG1# . 50901 1 374 . 1 . 1 40 40 VAL HG13 H 1 0.91 0.01 . 2 . . . . . 56 VAL HG1# . 50901 1 375 . 1 . 1 40 40 VAL HG21 H 1 0.74 0.01 . 1 . . . . . 56 VAL HG2# . 50901 1 376 . 1 . 1 40 40 VAL HG22 H 1 0.74 0.01 . 1 . . . . . 56 VAL HG2# . 50901 1 377 . 1 . 1 40 40 VAL HG23 H 1 0.74 0.01 . 1 . . . . . 56 VAL HG2# . 50901 1 378 . 1 . 1 40 40 VAL CA C 13 60.3 0.1 . 1 . . . . . 56 VAL CA . 50901 1 379 . 1 . 1 40 40 VAL CB C 13 32.9 0.1 . 1 . . . . . 56 VAL CB . 50901 1 380 . 1 . 1 40 40 VAL N N 15 119.0 0.1 . 1 . . . . . 56 VAL N . 50901 1 381 . 1 . 1 41 41 CYS H H 1 9.23 0.01 . 1 . . . . . 57 CYS H . 50901 1 382 . 1 . 1 41 41 CYS HA H 1 4.80 0.01 . 1 . . . . . 57 CYS HA . 50901 1 383 . 1 . 1 41 41 CYS HB2 H 1 2.82 0.01 . 2 . . . . . 57 CYS HB2 . 50901 1 384 . 1 . 1 41 41 CYS HB3 H 1 2.54 0.01 . 2 . . . . . 57 CYS HB3 . 50901 1 385 . 1 . 1 41 41 CYS CA C 13 58.8 0.1 . 1 . . . . . 57 CYS CA . 50901 1 386 . 1 . 1 41 41 CYS CB C 13 30.5 0.1 . 1 . . . . . 57 CYS CB . 50901 1 387 . 1 . 1 41 41 CYS N N 15 125.3 0.1 . 1 . . . . . 57 CYS N . 50901 1 388 . 1 . 1 42 42 LYS H H 1 9.88 0.01 . 1 . . . . . 58 LYS H . 50901 1 389 . 1 . 1 42 42 LYS HA H 1 3.95 0.01 . 1 . . . . . 58 LYS HA . 50901 1 390 . 1 . 1 42 42 LYS HB2 H 1 2.00 0.01 . 2 . . . . . 58 LYS HB2 . 50901 1 391 . 1 . 1 42 42 LYS HB3 H 1 2.00 0.01 . 2 . . . . . 58 LYS HB3 . 50901 1 392 . 1 . 1 42 42 LYS HG2 H 1 1.90 0.01 . 2 . . . . . 58 LYS HG2 . 50901 1 393 . 1 . 1 42 42 LYS HG3 H 1 1.51 0.01 . 2 . . . . . 58 LYS HG3 . 50901 1 394 . 1 . 1 42 42 LYS HD2 H 1 1.76 0.01 . 2 . . . . . 58 LYS HD2 . 50901 1 395 . 1 . 1 42 42 LYS HD3 H 1 1.74 0.01 . 2 . . . . . 58 LYS HD3 . 50901 1 396 . 1 . 1 42 42 LYS CA C 13 57.9 0.1 . 1 . . . . . 58 LYS CA . 50901 1 397 . 1 . 1 42 42 LYS CB C 13 29.2 0.1 . 1 . . . . . 58 LYS CB . 50901 1 398 . 1 . 1 42 42 LYS N N 15 131.2 0.1 . 1 . . . . . 58 LYS N . 50901 1 399 . 1 . 1 43 43 GLY H H 1 8.57 0.01 . 1 . . . . . 59 GLY H . 50901 1 400 . 1 . 1 43 43 GLY HA2 H 1 4.15 0.01 . 2 . . . . . 59 GLY HA2 . 50901 1 401 . 1 . 1 43 43 GLY HA3 H 1 3.57 0.01 . 2 . . . . . 59 GLY HA3 . 50901 1 402 . 1 . 1 43 43 GLY CA C 13 45.3 0.1 . 1 . . . . . 59 GLY CA . 50901 1 403 . 1 . 1 43 43 GLY N N 15 103.2 0.1 . 1 . . . . . 59 GLY N . 50901 1 404 . 1 . 1 44 44 ARG H H 1 7.79 0.01 . 1 . . . . . 60 ARG H . 50901 1 405 . 1 . 1 44 44 ARG HA H 1 4.73 0.01 . 1 . . . . . 60 ARG HA . 50901 1 406 . 1 . 1 44 44 ARG HB2 H 1 2.01 0.01 . 2 . . . . . 60 ARG HB2 . 50901 1 407 . 1 . 1 44 44 ARG HB3 H 1 1.91 0.01 . 2 . . . . . 60 ARG HB3 . 50901 1 408 . 1 . 1 44 44 ARG HG2 H 1 1.82 0.01 . 2 . . . . . 60 ARG HG2 . 50901 1 409 . 1 . 1 44 44 ARG HG3 H 1 1.66 0.01 . 2 . . . . . 60 ARG HG3 . 50901 1 410 . 1 . 1 44 44 ARG HD2 H 1 3.39 0.01 . 2 . . . . . 60 ARG HD2 . 50901 1 411 . 1 . 1 44 44 ARG HD3 H 1 3.33 0.01 . 2 . . . . . 60 ARG HD3 . 50901 1 412 . 1 . 1 44 44 ARG CA C 13 54.4 0.1 . 1 . . . . . 60 ARG CA . 50901 1 413 . 1 . 1 44 44 ARG CB C 13 32 0.1 . 1 . . . . . 60 ARG CB . 50901 1 414 . 1 . 1 44 44 ARG N N 15 121.0 0.1 . 1 . . . . . 60 ARG N . 50901 1 415 . 1 . 1 45 45 TYR H H 1 8.49 0.01 . 1 . . . . . 61 TYR H . 50901 1 416 . 1 . 1 45 45 TYR HA H 1 5.67 0.01 . 1 . . . . . 61 TYR HA . 50901 1 417 . 1 . 1 45 45 TYR HB2 H 1 2.96 0.01 . 2 . . . . . 61 TYR HB2 . 50901 1 418 . 1 . 1 45 45 TYR HB3 H 1 2.81 0.01 . 2 . . . . . 61 TYR HB3 . 50901 1 419 . 1 . 1 45 45 TYR HD1 H 1 7.00 0.01 . 3 . . . . . 61 TYR HD1 . 50901 1 420 . 1 . 1 45 45 TYR HD2 H 1 7.00 0.01 . 3 . . . . . 61 TYR HD2 . 50901 1 421 . 1 . 1 45 45 TYR HE1 H 1 6.75 0.01 . 3 . . . . . 61 TYR HE1 . 50901 1 422 . 1 . 1 45 45 TYR HE2 H 1 6.75 0.01 . 3 . . . . . 61 TYR HE2 . 50901 1 423 . 1 . 1 45 45 TYR CA C 13 54.8 0.1 . 1 . . . . . 61 TYR CA . 50901 1 424 . 1 . 1 45 45 TYR CB C 13 41.4 0.1 . 1 . . . . . 61 TYR CB . 50901 1 425 . 1 . 1 45 45 TYR N N 15 123.0 0.1 . 1 . . . . . 61 TYR N . 50901 1 426 . 1 . 1 46 46 GLY H H 1 8.53 0.01 . 1 . . . . . 62 GLY H . 50901 1 427 . 1 . 1 46 46 GLY HA2 H 1 4.01 0.01 . 2 . . . . . 62 GLY HA2 . 50901 1 428 . 1 . 1 46 46 GLY HA3 H 1 3.66 0.01 . 2 . . . . . 62 GLY HA3 . 50901 1 429 . 1 . 1 46 46 GLY CA C 13 45.3 0.1 . 1 . . . . . 62 GLY CA . 50901 1 430 . 1 . 1 47 47 LEU H H 1 8.96 0.01 . 1 . . . . . 63 LEU H . 50901 1 431 . 1 . 1 47 47 LEU HA H 1 5.41 0.01 . 1 . . . . . 63 LEU HA . 50901 1 432 . 1 . 1 47 47 LEU HB2 H 1 1.71 0.01 . 2 . . . . . 63 LEU HB2 . 50901 1 433 . 1 . 1 47 47 LEU HB3 H 1 1.65 0.01 . 2 . . . . . 63 LEU HB3 . 50901 1 434 . 1 . 1 47 47 LEU HD11 H 1 0.63 0.01 . 2 . . . . . 63 LEU MD1 . 50901 1 435 . 1 . 1 47 47 LEU HD12 H 1 0.63 0.01 . 2 . . . . . 63 LEU MD1 . 50901 1 436 . 1 . 1 47 47 LEU HD13 H 1 0.63 0.01 . 2 . . . . . 63 LEU MD1 . 50901 1 437 . 1 . 1 47 47 LEU HD21 H 1 0.70 0.01 . 2 . . . . . 63 LEU MD2 . 50901 1 438 . 1 . 1 47 47 LEU HD22 H 1 0.70 0.01 . 2 . . . . . 63 LEU MD2 . 50901 1 439 . 1 . 1 47 47 LEU HD23 H 1 0.70 0.01 . 2 . . . . . 63 LEU MD2 . 50901 1 440 . 1 . 1 47 47 LEU CA C 13 55.1 0.1 . 1 . . . . . 63 LEU CA . 50901 1 441 . 1 . 1 47 47 LEU CB C 13 45.9 0.1 . 1 . . . . . 63 LEU CB . 50901 1 442 . 1 . 1 47 47 LEU CD1 C 13 25.50 0.1 . 2 . . . . . 63 LEU CD1 . 50901 1 443 . 1 . 1 47 47 LEU CD2 C 13 24.40 0.1 . 2 . . . . . 63 LEU CD2 . 50901 1 444 . 1 . 1 47 47 LEU N N 15 120.3 0.1 . 1 . . . . . 63 LEU N . 50901 1 445 . 1 . 1 48 48 PHE H H 1 8.81 0.01 . 1 . . . . . 64 PHE H . 50901 1 446 . 1 . 1 48 48 PHE HA H 1 4.74 0.01 . 1 . . . . . 64 PHE HA . 50901 1 447 . 1 . 1 48 48 PHE HB3 H 1 2.90 0.01 . 2 . . . . . 64 PHE HB3 . 50901 1 448 . 1 . 1 48 48 PHE CA C 13 55.5 0.1 . 1 . . . . . 64 PHE CA . 50901 1 449 . 1 . 1 48 48 PHE CB C 13 38.8 0.1 . 1 . . . . . 64 PHE CB . 50901 1 450 . 1 . 1 48 48 PHE N N 15 112.8 0.1 . 1 . . . . . 64 PHE N . 50901 1 451 . 1 . 1 49 49 PRO HA H 1 3.30 0.01 . 1 . . . . . 65 PRO HA . 50901 1 452 . 1 . 1 49 49 PRO HB2 H 1 1.34 0.01 . 2 . . . . . 65 PRO HB2 . 50901 1 453 . 1 . 1 49 49 PRO HB3 H 1 0.66 0.01 . 2 . . . . . 65 PRO HB3 . 50901 1 454 . 1 . 1 49 49 PRO HG2 H 1 0.61 0.01 . 2 . . . . . 65 PRO HG2 . 50901 1 455 . 1 . 1 49 49 PRO HG3 H 1 0.15 0.01 . 2 . . . . . 65 PRO HG3 . 50901 1 456 . 1 . 1 49 49 PRO HD2 H 1 2.76 0.01 . 2 . . . . . 65 PRO HD2 . 50901 1 457 . 1 . 1 49 49 PRO HD3 H 1 2.20 0.01 . 2 . . . . . 65 PRO HD3 . 50901 1 458 . 1 . 1 49 49 PRO CA C 13 60.9 0.1 . 1 . . . . . 65 PRO CA . 50901 1 459 . 1 . 1 49 49 PRO CB C 13 30.3 0.1 . 1 . . . . . 65 PRO CB . 50901 1 460 . 1 . 1 49 49 PRO CG C 13 27.3 0.1 . 1 . . . . . 65 PRO CG . 50901 1 461 . 1 . 1 50 50 ALA H H 1 7.49 0.01 . 1 . . . . . 66 ALA H . 50901 1 462 . 1 . 1 50 50 ALA HA H 1 2.64 0.01 . 1 . . . . . 66 ALA HA . 50901 1 463 . 1 . 1 50 50 ALA HB1 H 1 -0.53 0.01 . 1 . . . . . 66 ALA MB . 50901 1 464 . 1 . 1 50 50 ALA HB2 H 1 -0.53 0.01 . 1 . . . . . 66 ALA MB . 50901 1 465 . 1 . 1 50 50 ALA HB3 H 1 -0.53 0.01 . 1 . . . . . 66 ALA MB . 50901 1 466 . 1 . 1 50 50 ALA CA C 13 54.4 0.1 . 1 . . . . . 66 ALA CA . 50901 1 467 . 1 . 1 50 50 ALA CB C 13 15.7 0.1 . 1 . . . . . 66 ALA CB . 50901 1 468 . 1 . 1 50 50 ALA N N 15 128.0 0.1 . 1 . . . . . 66 ALA N . 50901 1 469 . 1 . 1 51 51 ASN H H 1 8.01 0.01 . 1 . . . . . 67 ASN H . 50901 1 470 . 1 . 1 51 51 ASN HA H 1 4.44 0.01 . 1 . . . . . 67 ASN HA . 50901 1 471 . 1 . 1 51 51 ASN HB2 H 1 2.93 0.01 . 2 . . . . . 67 ASN HB2 . 50901 1 472 . 1 . 1 51 51 ASN HB3 H 1 2.63 0.01 . 2 . . . . . 67 ASN HB3 . 50901 1 473 . 1 . 1 51 51 ASN HD21 H 1 7.38 0.01 . 2 . . . . . 67 ASN HD21 . 50901 1 474 . 1 . 1 51 51 ASN HD22 H 1 6.66 0.01 . 2 . . . . . 67 ASN HD22 . 50901 1 475 . 1 . 1 51 51 ASN CA C 13 53.1 0.1 . 1 . . . . . 67 ASN CA . 50901 1 476 . 1 . 1 51 51 ASN CB C 13 35.8 0.1 . 1 . . . . . 67 ASN CB . 50901 1 477 . 1 . 1 51 51 ASN N N 15 108.6 0.1 . 1 . . . . . 67 ASN N . 50901 1 478 . 1 . 1 51 51 ASN ND2 N 15 109.8 0.1 . 1 . . . . . 67 ASN ND2 . 50901 1 479 . 1 . 1 52 52 TYR H H 1 7.78 0.01 . 1 . . . . . 68 TYR H . 50901 1 480 . 1 . 1 52 52 TYR HA H 1 4.73 0.01 . 1 . . . . . 68 TYR HA . 50901 1 481 . 1 . 1 52 52 TYR HB2 H 1 3.63 0.01 . 2 . . . . . 68 TYR HB2 . 50901 1 482 . 1 . 1 52 52 TYR HB3 H 1 3.43 0.01 . 2 . . . . . 68 TYR HB3 . 50901 1 483 . 1 . 1 52 52 TYR HD1 H 1 7.13 0.01 . 3 . . . . . 68 TYR HD1 . 50901 1 484 . 1 . 1 52 52 TYR HD2 H 1 7.13 0.01 . 3 . . . . . 68 TYR HD2 . 50901 1 485 . 1 . 1 52 52 TYR HE1 H 1 6.85 0.01 . 3 . . . . . 68 TYR HE1 . 50901 1 486 . 1 . 1 52 52 TYR HE2 H 1 6.85 0.01 . 3 . . . . . 68 TYR HE2 . 50901 1 487 . 1 . 1 52 52 TYR CA C 13 58.1 0.1 . 1 . . . . . 68 TYR CA . 50901 1 488 . 1 . 1 52 52 TYR CB C 13 37.7 0.1 . 1 . . . . . 68 TYR CB . 50901 1 489 . 1 . 1 52 52 TYR CD1 C 13 131.90 0.1 . 3 . . . . . 68 TYR CD1 . 50901 1 490 . 1 . 1 52 52 TYR CD2 C 13 131.90 0.1 . 3 . . . . . 68 TYR CD2 . 50901 1 491 . 1 . 1 52 52 TYR CE1 C 13 118.60 0.1 . 3 . . . . . 68 TYR CE1 . 50901 1 492 . 1 . 1 52 52 TYR CE2 C 13 118.60 0.1 . 3 . . . . . 68 TYR CE2 . 50901 1 493 . 1 . 1 52 52 TYR N N 15 119.5 0.1 . 1 . . . . . 68 TYR N . 50901 1 494 . 1 . 1 53 53 VAL H H 1 7.35 0.01 . 1 . . . . . 69 VAL H . 50901 1 495 . 1 . 1 53 53 VAL HA H 1 5.10 0.01 . 1 . . . . . 69 VAL HA . 50901 1 496 . 1 . 1 53 53 VAL HB H 1 1.72 0.01 . 1 . . . . . 69 VAL HB . 50901 1 497 . 1 . 1 53 53 VAL HG11 H 1 0.30 0.01 . 2 . . . . . 69 VAL HG1# . 50901 1 498 . 1 . 1 53 53 VAL HG12 H 1 0.30 0.01 . 2 . . . . . 69 VAL HG1# . 50901 1 499 . 1 . 1 53 53 VAL HG13 H 1 0.30 0.01 . 2 . . . . . 69 VAL HG1# . 50901 1 500 . 1 . 1 53 53 VAL HG21 H 1 0.86 0.01 . 1 . . . . . 69 VAL HG2# . 50901 1 501 . 1 . 1 53 53 VAL HG22 H 1 0.86 0.01 . 1 . . . . . 69 VAL HG2# . 50901 1 502 . 1 . 1 53 53 VAL HG23 H 1 0.86 0.01 . 1 . . . . . 69 VAL HG2# . 50901 1 503 . 1 . 1 53 53 VAL CA C 13 58.2 0.1 . 1 . . . . . 69 VAL CA . 50901 1 504 . 1 . 1 53 53 VAL CB C 13 34.5 0.1 . 1 . . . . . 69 VAL CB . 50901 1 505 . 1 . 1 53 53 VAL N N 15 109.6 0.1 . 1 . . . . . 69 VAL N . 50901 1 506 . 1 . 1 54 54 GLU H H 1 8.81 0.01 . 1 . . . . . 70 GLU H . 50901 1 507 . 1 . 1 54 54 GLU HA H 1 4.80 0.01 . 1 . . . . . 70 GLU HA . 50901 1 508 . 1 . 1 54 54 GLU HB2 H 1 1.92 0.01 . 2 . . . . . 70 GLU HB2 . 50901 1 509 . 1 . 1 54 54 GLU HB3 H 1 1.83 0.01 . 2 . . . . . 70 GLU HB3 . 50901 1 510 . 1 . 1 54 54 GLU HG2 H 1 2.20 0.01 . 2 . . . . . 70 GLU HG2 . 50901 1 511 . 1 . 1 54 54 GLU HG3 H 1 2.15 0.01 . 2 . . . . . 70 GLU HG3 . 50901 1 512 . 1 . 1 54 54 GLU CA C 13 54.2 0.1 . 1 . . . . . 70 GLU CA . 50901 1 513 . 1 . 1 54 54 GLU CB C 13 33.2 0.1 . 1 . . . . . 70 GLU CB . 50901 1 514 . 1 . 1 54 54 GLU N N 15 120.2 0.1 . 1 . . . . . 70 GLU N . 50901 1 515 . 1 . 1 55 55 LEU H H 1 9.00 0.01 . 1 . . . . . 71 LEU H . 50901 1 516 . 1 . 1 55 55 LEU HA H 1 4.34 0.01 . 1 . . . . . 71 LEU HA . 50901 1 517 . 1 . 1 55 55 LEU HB2 H 1 1.81 0.01 . 2 . . . . . 71 LEU HB2 . 50901 1 518 . 1 . 1 55 55 LEU HB3 H 1 1.51 0.01 . 2 . . . . . 71 LEU HB3 . 50901 1 519 . 1 . 1 55 55 LEU HG H 1 1.27 0.01 . 1 . . . . . 71 LEU HG . 50901 1 520 . 1 . 1 55 55 LEU HD11 H 1 0.99 0.01 . 2 . . . . . 71 LEU MD1 . 50901 1 521 . 1 . 1 55 55 LEU HD12 H 1 0.99 0.01 . 2 . . . . . 71 LEU MD1 . 50901 1 522 . 1 . 1 55 55 LEU HD13 H 1 0.99 0.01 . 2 . . . . . 71 LEU MD1 . 50901 1 523 . 1 . 1 55 55 LEU HD21 H 1 0.82 0.01 . 2 . . . . . 71 LEU MD2 . 50901 1 524 . 1 . 1 55 55 LEU HD22 H 1 0.82 0.01 . 2 . . . . . 71 LEU MD2 . 50901 1 525 . 1 . 1 55 55 LEU HD23 H 1 0.82 0.01 . 2 . . . . . 71 LEU MD2 . 50901 1 526 . 1 . 1 55 55 LEU CA C 13 56 0.1 . 1 . . . . . 71 LEU CA . 50901 1 527 . 1 . 1 55 55 LEU CB C 13 42.6 0.1 . 1 . . . . . 71 LEU CB . 50901 1 528 . 1 . 1 55 55 LEU N N 15 127.2 0.1 . 1 . . . . . 71 LEU N . 50901 1 529 . 1 . 1 56 56 ARG H H 1 8.47 0.01 . 1 . . . . . 72 ARG H . 50901 1 530 . 1 . 1 56 56 ARG HA H 1 4.46 0.01 . 1 . . . . . 72 ARG HA . 50901 1 531 . 1 . 1 56 56 ARG HB2 H 1 1.77 0.01 . 2 . . . . . 72 ARG HB2 . 50901 1 532 . 1 . 1 56 56 ARG HB3 H 1 1.76 0.01 . 2 . . . . . 72 ARG HB3 . 50901 1 533 . 1 . 1 56 56 ARG HD2 H 1 3.07 0.01 . 2 . . . . . 72 ARG HD2 . 50901 1 534 . 1 . 1 56 56 ARG HD3 H 1 3.07 0.01 . 2 . . . . . 72 ARG HD3 . 50901 1 535 . 1 . 1 56 56 ARG HE H 1 7.24 0.01 . 1 . . . . . 72 ARG HE . 50901 1 536 . 1 . 1 56 56 ARG CA C 13 57.2 0.1 . 1 . . . . . 72 ARG CA . 50901 1 537 . 1 . 1 56 56 ARG CB C 13 30.8 0.1 . 1 . . . . . 72 ARG CB . 50901 1 538 . 1 . 1 56 56 ARG N N 15 123.0 0.1 . 1 . . . . . 72 ARG N . 50901 1 539 . 1 . 1 57 57 GLN H H 1 8.24 0.01 . 1 . . . . . 73 GLN H . 50901 1 540 . 1 . 1 57 57 GLN HE21 H 1 7.58 0.01 . 2 . . . . . 73 GLN HE21 . 50901 1 541 . 1 . 1 57 57 GLN HE22 H 1 6.80 0.01 . 2 . . . . . 73 GLN HE22 . 50901 1 542 . 1 . 1 57 57 GLN CA C 13 55.6 0.1 . 1 . . . . . 73 GLN CA . 50901 1 543 . 1 . 1 57 57 GLN CB C 13 30.4 0.1 . 1 . . . . . 73 GLN CB . 50901 1 544 . 1 . 1 57 57 GLN N N 15 127.5 0.1 . 1 . . . . . 73 GLN N . 50901 1 545 . 1 . 1 57 57 GLN NE2 N 15 112.4 0.1 . 1 . . . . . 73 GLN NE2 . 50901 1 546 . 2 . 2 1 1 THR HA H 1 3.98 0.01 . 1 . . . . . 202 THR HA . 50901 1 547 . 2 . 2 1 1 THR HB H 1 3.60 0.01 . 1 . . . . . 202 THR HB . 50901 1 548 . 2 . 2 1 1 THR HG21 H 1 1.17 0.01 . 1 . . . . . 202 THR MG . 50901 1 549 . 2 . 2 1 1 THR HG22 H 1 1.17 0.01 . 1 . . . . . 202 THR MG . 50901 1 550 . 2 . 2 1 1 THR HG23 H 1 1.17 0.01 . 1 . . . . . 202 THR MG . 50901 1 551 . 2 . 2 2 2 ALA HA H 1 4.28 0.01 . 1 . . . . . 203 ALA HA . 50901 1 552 . 2 . 2 2 2 ALA HB1 H 1 1.26 0.01 . 1 . . . . . 203 ALA MB . 50901 1 553 . 2 . 2 2 2 ALA HB2 H 1 1.26 0.01 . 1 . . . . . 203 ALA MB . 50901 1 554 . 2 . 2 2 2 ALA HB3 H 1 1.26 0.01 . 1 . . . . . 203 ALA MB . 50901 1 555 . 2 . 2 3 3 PHE H H 1 8.27 0.01 . 1 . . . . . 204 PHE H . 50901 1 556 . 2 . 2 3 3 PHE HA H 1 4.50 0.01 . 1 . . . . . 204 PHE HA . 50901 1 557 . 2 . 2 3 3 PHE HB2 H 1 3.04 0.01 . 2 . . . . . 204 PHE HB2 . 50901 1 558 . 2 . 2 3 3 PHE HB3 H 1 2.99 0.01 . 2 . . . . . 204 PHE HB3 . 50901 1 559 . 2 . 2 3 3 PHE HD1 H 1 7.18 0.01 . 3 . . . . . 204 PHE HD1 . 50901 1 560 . 2 . 2 3 3 PHE HD2 H 1 7.18 0.01 . 3 . . . . . 204 PHE HD2 . 50901 1 561 . 2 . 2 3 3 PHE HE1 H 1 7.18 0.01 . 3 . . . . . 204 PHE HE1 . 50901 1 562 . 2 . 2 3 3 PHE HE2 H 1 7.18 0.01 . 3 . . . . . 204 PHE HE2 . 50901 1 563 . 2 . 2 3 3 PHE HZ H 1 7.18 0.01 . 1 . . . . . 204 PHE HZ . 50901 1 564 . 2 . 2 4 4 GLN H H 1 8.10 0.01 . 1 . . . . . 205 GLN H . 50901 1 565 . 2 . 2 4 4 GLN HA H 1 4.26 0.01 . 1 . . . . . 205 GLN HA . 50901 1 566 . 2 . 2 4 4 GLN HB2 H 1 1.97 0.01 . 2 . . . . . 205 GLN HB2 . 50901 1 567 . 2 . 2 4 4 GLN HB3 H 1 1.85 0.01 . 2 . . . . . 205 GLN HB3 . 50901 1 568 . 2 . 2 4 4 GLN HG2 H 1 2.21 0.01 . 2 . . . . . 205 GLN HG2 . 50901 1 569 . 2 . 2 4 4 GLN HG3 H 1 2.21 0.01 . 2 . . . . . 205 GLN HG3 . 50901 1 570 . 2 . 2 5 5 GLU H H 1 8.30 0.01 . 1 . . . . . 206 GLU H . 50901 1 571 . 2 . 2 5 5 GLU HA H 1 4.45 0.01 . 1 . . . . . 206 GLU HA . 50901 1 572 . 2 . 2 5 5 GLU HB2 H 1 1.95 0.01 . 2 . . . . . 206 GLU HB2 . 50901 1 573 . 2 . 2 5 5 GLU HB3 H 1 1.83 0.01 . 2 . . . . . 206 GLU HB3 . 50901 1 574 . 2 . 2 5 5 GLU HG2 H 1 2.25 0.01 . 2 . . . . . 206 GLU HG2 . 50901 1 575 . 2 . 2 5 5 GLU HG3 H 1 2.25 0.01 . 2 . . . . . 206 GLU HG3 . 50901 1 576 . 2 . 2 6 6 PRO HD2 H 1 3.79 0.01 . 2 . . . . . 207 PRO HD2 . 50901 1 577 . 2 . 2 6 6 PRO HD3 H 1 3.63 0.01 . 2 . . . . . 207 PRO HD3 . 50901 1 578 . 2 . 2 7 7 PRO HA H 1 4.54 0.01 . 1 . . . . . 208 PRO HA . 50901 1 579 . 2 . 2 7 7 PRO HB2 H 1 2.16 0.01 . 2 . . . . . 208 PRO HB2 . 50901 1 580 . 2 . 2 7 7 PRO HB3 H 1 1.74 0.01 . 2 . . . . . 208 PRO HB3 . 50901 1 581 . 2 . 2 8 8 PRO HA H 1 4.36 0.01 . 1 . . . . . 209 PRO HA . 50901 1 582 . 2 . 2 8 8 PRO HB2 H 1 2.21 0.01 . 2 . . . . . 209 PRO HB2 . 50901 1 583 . 2 . 2 8 8 PRO HB3 H 1 1.75 0.01 . 2 . . . . . 209 PRO HB3 . 50901 1 584 . 2 . 2 8 8 PRO HG2 H 1 1.94 0.01 . 2 . . . . . 209 PRO HG2 . 50901 1 585 . 2 . 2 8 8 PRO HG3 H 1 1.94 0.01 . 2 . . . . . 209 PRO HG3 . 50901 1 586 . 2 . 2 8 8 PRO HD2 H 1 3.69 0.01 . 2 . . . . . 209 PRO HD2 . 50901 1 587 . 2 . 2 8 8 PRO HD3 H 1 3.45 0.01 . 2 . . . . . 209 PRO HD3 . 50901 1 588 . 2 . 2 9 9 LYS H H 1 8.48 0.01 . 1 . . . . . 210 LYS H . 50901 1 589 . 2 . 2 9 9 LYS HA H 1 4.25 0.01 . 1 . . . . . 210 LYS HA . 50901 1 590 . 2 . 2 9 9 LYS HB2 H 1 1.59 0.01 . 2 . . . . . 210 LYS HB2 . 50901 1 591 . 2 . 2 9 9 LYS HB3 H 1 1.59 0.01 . 2 . . . . . 210 LYS HB3 . 50901 1 592 . 2 . 2 9 9 LYS HG2 H 1 1.35 0.01 . 2 . . . . . 210 LYS HG2 . 50901 1 593 . 2 . 2 9 9 LYS HG3 H 1 1.29 0.01 . 2 . . . . . 210 LYS HG3 . 50901 1 594 . 2 . 2 9 9 LYS HD2 H 1 1.66 0.01 . 2 . . . . . 210 LYS HD2 . 50901 1 595 . 2 . 2 9 9 LYS HD3 H 1 1.66 0.01 . 2 . . . . . 210 LYS HD3 . 50901 1 596 . 2 . 2 9 9 LYS HE2 H 1 3.02 0.01 . 2 . . . . . 210 LYS HE2 . 50901 1 597 . 2 . 2 9 9 LYS HE3 H 1 3.02 0.01 . 2 . . . . . 210 LYS HE3 . 50901 1 598 . 2 . 2 10 10 PRO HA H 1 4.45 0.01 . 1 . . . . . 211 PRO HA . 50901 1 599 . 2 . 2 10 10 PRO HB2 H 1 2.21 0.01 . 2 . . . . . 211 PRO HB2 . 50901 1 600 . 2 . 2 10 10 PRO HB3 H 1 2.21 0.01 . 2 . . . . . 211 PRO HB3 . 50901 1 601 . 2 . 2 10 10 PRO HG2 H 1 1.81 0.01 . 2 . . . . . 211 PRO HG2 . 50901 1 602 . 2 . 2 10 10 PRO HG3 H 1 1.69 0.01 . 2 . . . . . 211 PRO HG3 . 50901 1 603 . 2 . 2 10 10 PRO HD2 H 1 3.62 0.01 . 2 . . . . . 211 PRO HD2 . 50901 1 604 . 2 . 2 10 10 PRO HD3 H 1 3.62 0.01 . 2 . . . . . 211 PRO HD3 . 50901 1 605 . 2 . 2 11 11 SER H H 1 8.55 0.01 . 1 . . . . . 212 SER H . 50901 1 606 . 2 . 2 11 11 SER HA H 1 4.34 0.01 . 1 . . . . . 212 SER HA . 50901 1 607 . 2 . 2 11 11 SER HB2 H 1 3.79 0.01 . 2 . . . . . 212 SER HB2 . 50901 1 608 . 2 . 2 11 11 SER HB3 H 1 3.79 0.01 . 2 . . . . . 212 SER HB3 . 50901 1 609 . 2 . 2 12 12 ARG H H 1 8.38 0.01 . 1 . . . . . 213 ARG H . 50901 1 610 . 2 . 2 12 12 ARG HA H 1 4.26 0.01 . 1 . . . . . 213 ARG HA . 50901 1 611 . 2 . 2 12 12 ARG HB2 H 1 1.46 0.01 . 2 . . . . . 213 ARG HB2 . 50901 1 612 . 2 . 2 12 12 ARG HB3 H 1 1.46 0.01 . 2 . . . . . 213 ARG HB3 . 50901 1 613 . 2 . 2 12 12 ARG HG2 H 1 1.22 0.01 . 2 . . . . . 213 ARG HG2 . 50901 1 614 . 2 . 2 12 12 ARG HG3 H 1 1.22 0.01 . 2 . . . . . 213 ARG HG3 . 50901 1 615 . 2 . 2 13 13 PRO HA H 1 4.32 0.01 . 1 . . . . . 214 PRO HA . 50901 1 616 . 2 . 2 13 13 PRO HB2 H 1 2.17 0.01 . 2 . . . . . 214 PRO HB2 . 50901 1 617 . 2 . 2 13 13 PRO HB3 H 1 1.71 0.01 . 2 . . . . . 214 PRO HB3 . 50901 1 618 . 2 . 2 13 13 PRO HG2 H 1 1.82 0.01 . 2 . . . . . 214 PRO HG2 . 50901 1 619 . 2 . 2 13 13 PRO HG3 H 1 1.82 0.01 . 2 . . . . . 214 PRO HG3 . 50901 1 620 . 2 . 2 13 13 PRO HD2 H 1 3.53 0.01 . 2 . . . . . 214 PRO HD2 . 50901 1 621 . 2 . 2 13 13 PRO HD3 H 1 3.25 0.01 . 2 . . . . . 214 PRO HD3 . 50901 1 622 . 2 . 2 14 14 LYS H H 1 8.40 0.01 . 1 . . . . . 215 LYS H . 50901 1 623 . 2 . 2 14 14 LYS HA H 1 4.05 0.01 . 1 . . . . . 215 LYS HA . 50901 1 624 . 2 . 2 14 14 LYS HB2 H 1 1.61 0.01 . 2 . . . . . 215 LYS HB2 . 50901 1 625 . 2 . 2 14 14 LYS HB3 H 1 1.61 0.01 . 2 . . . . . 215 LYS HB3 . 50901 1 626 . 2 . 2 14 14 LYS HG2 H 1 1.31 0.01 . 2 . . . . . 215 LYS HG2 . 50901 1 627 . 2 . 2 14 14 LYS HG3 H 1 1.24 0.01 . 2 . . . . . 215 LYS HG3 . 50901 1 628 . 2 . 2 14 14 LYS HE2 H 1 2.89 0.01 . 2 . . . . . 215 LYS HE2 . 50901 1 629 . 2 . 2 14 14 LYS HE3 H 1 2.89 0.01 . 2 . . . . . 215 LYS HE3 . 50901 1 630 . 2 . 2 15 15 TYR H H 1 8.05 0.01 . 1 . . . . . 216 TYR H . 50901 1 631 . 2 . 2 15 15 TYR HA H 1 4.45 0.01 . 1 . . . . . 216 TYR HA . 50901 1 632 . 2 . 2 15 15 TYR HB2 H 1 2.89 0.01 . 2 . . . . . 216 TYR HB2 . 50901 1 633 . 2 . 2 15 15 TYR HB3 H 1 2.80 0.01 . 2 . . . . . 216 TYR HB3 . 50901 1 634 . 2 . 2 15 15 TYR HD1 H 1 6.99 0.01 . 3 . . . . . 216 TYR HD1 . 50901 1 635 . 2 . 2 15 15 TYR HD2 H 1 6.99 0.01 . 3 . . . . . 216 TYR HD2 . 50901 1 636 . 2 . 2 15 15 TYR HE1 H 1 6.70 0.01 . 3 . . . . . 216 TYR HE1 . 50901 1 637 . 2 . 2 15 15 TYR HE2 H 1 6.70 0.01 . 3 . . . . . 216 TYR HE2 . 50901 1 638 . 2 . 2 16 16 ARG H H 1 7.96 0.01 . 1 . . . . . 217 ARG H . 50901 1 639 . 2 . 2 16 16 ARG HA H 1 4.45 0.01 . 1 . . . . . 217 ARG HA . 50901 1 640 . 2 . 2 16 16 ARG HB2 H 1 1.63 0.01 . 2 . . . . . 217 ARG HB2 . 50901 1 641 . 2 . 2 16 16 ARG HB3 H 1 1.47 0.01 . 2 . . . . . 217 ARG HB3 . 50901 1 642 . 2 . 2 16 16 ARG HD2 H 1 3.03 0.01 . 2 . . . . . 217 ARG HD2 . 50901 1 643 . 2 . 2 16 16 ARG HD3 H 1 3.03 0.01 . 2 . . . . . 217 ARG HD3 . 50901 1 644 . 2 . 2 17 17 PRO HA H 1 4.51 0.01 . 1 . . . . . 218 PRO HA . 50901 1 645 . 2 . 2 17 17 PRO HB2 H 1 2.28 0.01 . 2 . . . . . 218 PRO HB2 . 50901 1 646 . 2 . 2 17 17 PRO HB3 H 1 1.85 0.01 . 2 . . . . . 218 PRO HB3 . 50901 1 647 . 2 . 2 17 17 PRO HD2 H 1 3.46 0.01 . 2 . . . . . 218 PRO HD2 . 50901 1 648 . 2 . 2 17 17 PRO HD3 H 1 3.46 0.01 . 2 . . . . . 218 PRO HD3 . 50901 1 649 . 2 . 2 18 18 PRO HA H 1 4.56 0.01 . 1 . . . . . 219 PRO HA . 50901 1 650 . 2 . 2 18 18 PRO HB2 H 1 2.24 0.01 . 2 . . . . . 219 PRO HB2 . 50901 1 651 . 2 . 2 18 18 PRO HB3 H 1 1.93 0.01 . 2 . . . . . 219 PRO HB3 . 50901 1 652 . 2 . 2 18 18 PRO HD2 H 1 3.77 0.01 . 2 . . . . . 219 PRO HD2 . 50901 1 653 . 2 . 2 18 18 PRO HD3 H 1 3.57 0.01 . 2 . . . . . 219 PRO HD3 . 50901 1 654 . 2 . 2 19 19 PRO HA H 1 4.16 0.01 . 1 . . . . . 220 PRO HA . 50901 1 655 . 2 . 2 19 19 PRO HB2 H 1 2.14 0.01 . 2 . . . . . 220 PRO HB2 . 50901 1 656 . 2 . 2 19 19 PRO HB3 H 1 1.83 0.01 . 2 . . . . . 220 PRO HB3 . 50901 1 657 . 2 . 2 19 19 PRO HG2 H 1 1.90 0.01 . 2 . . . . . 220 PRO HG2 . 50901 1 658 . 2 . 2 19 19 PRO HG3 H 1 1.90 0.01 . 2 . . . . . 220 PRO HG3 . 50901 1 659 . 2 . 2 19 19 PRO HD2 H 1 3.65 0.01 . 2 . . . . . 220 PRO HD2 . 50901 1 660 . 2 . 2 19 19 PRO HD3 H 1 3.54 0.01 . 2 . . . . . 220 PRO HD3 . 50901 1 stop_ save_