################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4977 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H COSY (3 TMP)' 1 $sample_1 . 4977 1 2 '1H TOCSY (3 TMP)' 1 $sample_1 . 4977 1 3 '1H NOESY (3 TMP)' 1 $sample_1 . 4977 1 4 '1H-15N HSQC-TOCSY' 1 $sample_1 . 4977 1 5 '1H-15N HSQC-NOESY' 1 $sample_1 . 4977 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.01 0.020 . 1 . . . . . . . . 4977 1 2 . 1 1 1 1 ALA HB1 H 1 1.42 0.020 . 1 . . . . . . . . 4977 1 3 . 1 1 1 1 ALA HB2 H 1 1.42 0.020 . 1 . . . . . . . . 4977 1 4 . 1 1 1 1 ALA HB3 H 1 1.42 0.020 . 1 . . . . . . . . 4977 1 5 . 1 1 2 2 CYS HA H 1 4.65 0.020 . 1 . . . . . . . . 4977 1 6 . 1 1 2 2 CYS HB2 H 1 3.06 0.020 . 2 . . . . . . . . 4977 1 7 . 1 1 2 2 CYS HB3 H 1 2.73 0.020 . 2 . . . . . . . . 4977 1 8 . 1 1 2 2 CYS H H 1 8.83 0.020 . 1 . . . . . . . . 4977 1 9 . 1 1 2 2 CYS N N 15 119.94 0.200 . 1 . . . . . . . . 4977 1 10 . 1 1 3 3 GLN H H 1 7.85 0.020 . 1 . . . . . . . . 4977 1 11 . 1 1 3 3 GLN HA H 1 4.58 0.020 . 1 . . . . . . . . 4977 1 12 . 1 1 3 3 GLN HG2 H 1 2.23 0.020 . 1 . . . . . . . . 4977 1 13 . 1 1 3 3 GLN HG3 H 1 2.23 0.020 . 1 . . . . . . . . 4977 1 14 . 1 1 3 3 GLN HB2 H 1 2.00 0.020 . 2 . . . . . . . . 4977 1 15 . 1 1 3 3 GLN HB3 H 1 1.81 0.020 . 2 . . . . . . . . 4977 1 16 . 1 1 3 3 GLN HE21 H 1 7.34 0.020 . 2 . . . . . . . . 4977 1 17 . 1 1 3 3 GLN HE22 H 1 6.78 0.020 . 2 . . . . . . . . 4977 1 18 . 1 1 3 3 GLN N N 15 123.84 0.200 . 1 . . . . . . . . 4977 1 19 . 1 1 4 4 ALA H H 1 8.81 0.020 . 1 . . . . . . . . 4977 1 20 . 1 1 4 4 ALA HA H 1 3.62 0.020 . 1 . . . . . . . . 4977 1 21 . 1 1 4 4 ALA HB1 H 1 0.85 0.020 . 1 . . . . . . . . 4977 1 22 . 1 1 4 4 ALA HB2 H 1 0.85 0.020 . 1 . . . . . . . . 4977 1 23 . 1 1 4 4 ALA HB3 H 1 0.85 0.020 . 1 . . . . . . . . 4977 1 24 . 1 1 4 4 ALA N N 15 111.54 0.200 . 1 . . . . . . . . 4977 1 25 . 1 1 5 5 SER H H 1 8.45 0.020 . 1 . . . . . . . . 4977 1 26 . 1 1 5 5 SER HB2 H 1 3.92 0.020 . 2 . . . . . . . . 4977 1 27 . 1 1 5 5 SER HB3 H 1 3.87 0.020 . 2 . . . . . . . . 4977 1 28 . 1 1 5 5 SER N N 15 111.25 0.200 . 1 . . . . . . . . 4977 1 29 . 1 1 6 6 GLN H H 1 7.51 0.020 . 1 . . . . . . . . 4977 1 30 . 1 1 6 6 GLN HA H 1 4.13 0.020 . 1 . . . . . . . . 4977 1 31 . 1 1 6 6 GLN HG2 H 1 2.30 0.020 . 2 . . . . . . . . 4977 1 32 . 1 1 6 6 GLN HB2 H 1 2.16 0.020 . 2 . . . . . . . . 4977 1 33 . 1 1 6 6 GLN HB3 H 1 1.79 0.020 . 2 . . . . . . . . 4977 1 34 . 1 1 6 6 GLN HG3 H 1 2.35 0.020 . 2 . . . . . . . . 4977 1 35 . 1 1 6 6 GLN HE21 H 1 6.81 0.020 . 2 . . . . . . . . 4977 1 36 . 1 1 6 6 GLN HE22 H 1 7.39 0.020 . 2 . . . . . . . . 4977 1 37 . 1 1 6 6 GLN N N 15 120.48 0.200 . 1 . . . . . . . . 4977 1 38 . 1 1 7 7 LEU H H 1 7.99 0.020 . 1 . . . . . . . . 4977 1 39 . 1 1 7 7 LEU HA H 1 4.24 0.020 . 1 . . . . . . . . 4977 1 40 . 1 1 7 7 LEU HB2 H 1 1.65 0.020 . 2 . . . . . . . . 4977 1 41 . 1 1 7 7 LEU HG H 1 1.41 0.020 . 1 . . . . . . . . 4977 1 42 . 1 1 7 7 LEU HB3 H 1 1.12 0.020 . 2 . . . . . . . . 4977 1 43 . 1 1 7 7 LEU HD11 H 1 0.64 0.020 . 2 . . . . . . . . 4977 1 44 . 1 1 7 7 LEU HD12 H 1 0.64 0.020 . 2 . . . . . . . . 4977 1 45 . 1 1 7 7 LEU HD13 H 1 0.64 0.020 . 2 . . . . . . . . 4977 1 46 . 1 1 7 7 LEU HD21 H 1 0.53 0.020 . 2 . . . . . . . . 4977 1 47 . 1 1 7 7 LEU HD22 H 1 0.53 0.020 . 2 . . . . . . . . 4977 1 48 . 1 1 7 7 LEU HD23 H 1 0.53 0.020 . 2 . . . . . . . . 4977 1 49 . 1 1 7 7 LEU N N 15 114.68 0.200 . 1 . . . . . . . . 4977 1 50 . 1 1 8 8 ALA H H 1 7.44 0.020 . 1 . . . . . . . . 4977 1 51 . 1 1 8 8 ALA HA H 1 3.86 0.020 . 1 . . . . . . . . 4977 1 52 . 1 1 8 8 ALA HB1 H 1 1.43 0.020 . 1 . . . . . . . . 4977 1 53 . 1 1 8 8 ALA HB2 H 1 1.43 0.020 . 1 . . . . . . . . 4977 1 54 . 1 1 8 8 ALA HB3 H 1 1.43 0.020 . 1 . . . . . . . . 4977 1 55 . 1 1 8 8 ALA N N 15 125.70 0.200 . 1 . . . . . . . . 4977 1 56 . 1 1 9 9 VAL HA H 1 4.15 0.020 . 1 . . . . . . . . 4977 1 57 . 1 1 9 9 VAL HB H 1 2.21 0.020 . 1 . . . . . . . . 4977 1 58 . 1 1 9 9 VAL HG11 H 1 0.92 0.020 . 2 . . . . . . . . 4977 1 59 . 1 1 9 9 VAL HG12 H 1 0.92 0.020 . 2 . . . . . . . . 4977 1 60 . 1 1 9 9 VAL HG13 H 1 0.92 0.020 . 2 . . . . . . . . 4977 1 61 . 1 1 9 9 VAL HG21 H 1 0.85 0.020 . 2 . . . . . . . . 4977 1 62 . 1 1 9 9 VAL HG22 H 1 0.85 0.020 . 2 . . . . . . . . 4977 1 63 . 1 1 9 9 VAL HG23 H 1 0.85 0.020 . 2 . . . . . . . . 4977 1 64 . 1 1 9 9 VAL H H 1 7.54 0.020 . 1 . . . . . . . . 4977 1 65 . 1 1 9 9 VAL N N 15 111.71 0.200 . 1 . . . . . . . . 4977 1 66 . 1 1 10 10 CYS H H 1 8.04 0.020 . 1 . . . . . . . . 4977 1 67 . 1 1 10 10 CYS HA H 1 4.86 0.020 . 1 . . . . . . . . 4977 1 68 . 1 1 10 10 CYS HB2 H 1 3.08 0.020 . 1 . . . . . . . . 4977 1 69 . 1 1 10 10 CYS HB3 H 1 2.95 0.020 . 1 . . . . . . . . 4977 1 70 . 1 1 10 10 CYS N N 15 114.58 0.200 . 1 . . . . . . . . 4977 1 71 . 1 1 11 11 ALA H H 1 7.84 0.020 . 1 . . . . . . . . 4977 1 72 . 1 1 11 11 ALA HA H 1 3.73 0.020 . 1 . . . . . . . . 4977 1 73 . 1 1 11 11 ALA HB1 H 1 1.56 0.020 . 1 . . . . . . . . 4977 1 74 . 1 1 11 11 ALA HB2 H 1 1.56 0.020 . 1 . . . . . . . . 4977 1 75 . 1 1 11 11 ALA HB3 H 1 1.56 0.020 . 1 . . . . . . . . 4977 1 76 . 1 1 11 11 ALA N N 15 124.84 0.200 . 1 . . . . . . . . 4977 1 77 . 1 1 12 12 SER H H 1 8.67 0.020 . 1 . . . . . . . . 4977 1 78 . 1 1 12 12 SER HB2 H 1 4.70 0.020 . 2 . . . . . . . . 4977 1 79 . 1 1 12 12 SER HA H 1 4.19 0.020 . 1 . . . . . . . . 4977 1 80 . 1 1 12 12 SER HB3 H 1 3.80 0.020 . 2 . . . . . . . . 4977 1 81 . 1 1 12 12 SER N N 15 111.23 0.200 . 1 . . . . . . . . 4977 1 82 . 1 1 13 13 ALA H H 1 7.91 0.020 . 1 . . . . . . . . 4977 1 83 . 1 1 13 13 ALA HA H 1 4.20 0.020 . 1 . . . . . . . . 4977 1 84 . 1 1 13 13 ALA HB1 H 1 1.27 0.020 . 1 . . . . . . . . 4977 1 85 . 1 1 13 13 ALA HB2 H 1 1.27 0.020 . 1 . . . . . . . . 4977 1 86 . 1 1 13 13 ALA HB3 H 1 1.27 0.020 . 1 . . . . . . . . 4977 1 87 . 1 1 13 13 ALA N N 15 128.19 0.200 . 1 . . . . . . . . 4977 1 88 . 1 1 14 14 ILE H H 1 8.12 0.020 . 1 . . . . . . . . 4977 1 89 . 1 1 14 14 ILE HA H 1 3.49 0.020 . 1 . . . . . . . . 4977 1 90 . 1 1 14 14 ILE HG12 H 1 1.75 0.020 . 2 . . . . . . . . 4977 1 91 . 1 1 14 14 ILE HG13 H 1 1.00 0.020 . 2 . . . . . . . . 4977 1 92 . 1 1 14 14 ILE HD11 H 1 0.62 0.020 . 1 . . . . . . . . 4977 1 93 . 1 1 14 14 ILE HD12 H 1 0.62 0.020 . 1 . . . . . . . . 4977 1 94 . 1 1 14 14 ILE HD13 H 1 0.62 0.020 . 1 . . . . . . . . 4977 1 95 . 1 1 14 14 ILE HB H 1 1.84 0.020 . 1 . . . . . . . . 4977 1 96 . 1 1 14 14 ILE N N 15 115.60 0.200 . 1 . . . . . . . . 4977 1 97 . 1 1 15 15 LEU H H 1 8.58 0.020 . 1 . . . . . . . . 4977 1 98 . 1 1 15 15 LEU HA H 1 4.20 0.020 . 1 . . . . . . . . 4977 1 99 . 1 1 15 15 LEU HB2 H 1 1.89 0.020 . 2 . . . . . . . . 4977 1 100 . 1 1 15 15 LEU HG H 1 1.73 0.020 . 1 . . . . . . . . 4977 1 101 . 1 1 15 15 LEU HB3 H 1 1.37 0.020 . 2 . . . . . . . . 4977 1 102 . 1 1 15 15 LEU HD11 H 1 0.67 0.020 . 2 . . . . . . . . 4977 1 103 . 1 1 15 15 LEU HD12 H 1 0.67 0.020 . 2 . . . . . . . . 4977 1 104 . 1 1 15 15 LEU HD13 H 1 0.67 0.020 . 2 . . . . . . . . 4977 1 105 . 1 1 15 15 LEU HD21 H 1 0.39 0.020 . 2 . . . . . . . . 4977 1 106 . 1 1 15 15 LEU HD22 H 1 0.39 0.020 . 2 . . . . . . . . 4977 1 107 . 1 1 15 15 LEU HD23 H 1 0.39 0.020 . 2 . . . . . . . . 4977 1 108 . 1 1 15 15 LEU N N 15 116.46 0.200 . 1 . . . . . . . . 4977 1 109 . 1 1 16 16 SER H H 1 7.86 0.020 . 1 . . . . . . . . 4977 1 110 . 1 1 16 16 SER HB2 H 1 3.89 0.020 . 2 . . . . . . . . 4977 1 111 . 1 1 16 16 SER HB3 H 1 3.82 0.020 . 2 . . . . . . . . 4977 1 112 . 1 1 16 16 SER HA H 1 4.58 0.020 . 1 . . . . . . . . 4977 1 113 . 1 1 16 16 SER N N 15 111.22 0.200 . 1 . . . . . . . . 4977 1 114 . 1 1 17 17 GLY H H 1 7.93 0.020 . 1 . . . . . . . . 4977 1 115 . 1 1 17 17 GLY HA2 H 1 3.51 0.020 . 2 . . . . . . . . 4977 1 116 . 1 1 17 17 GLY HA3 H 1 3.21 0.020 . 2 . . . . . . . . 4977 1 117 . 1 1 17 17 GLY N N 15 111.56 0.200 . 1 . . . . . . . . 4977 1 118 . 1 1 18 18 ALA H H 1 7.07 0.020 . 1 . . . . . . . . 4977 1 119 . 1 1 18 18 ALA HA H 1 4.00 0.020 . 1 . . . . . . . . 4977 1 120 . 1 1 18 18 ALA HB1 H 1 1.02 0.020 . 1 . . . . . . . . 4977 1 121 . 1 1 18 18 ALA HB2 H 1 1.02 0.020 . 1 . . . . . . . . 4977 1 122 . 1 1 18 18 ALA HB3 H 1 1.02 0.020 . 1 . . . . . . . . 4977 1 123 . 1 1 18 18 ALA N N 15 122.98 0.200 . 1 . . . . . . . . 4977 1 124 . 1 1 19 19 LYS H H 1 8.29 0.020 . 1 . . . . . . . . 4977 1 125 . 1 1 19 19 LYS HA H 1 4.25 0.020 . 1 . . . . . . . . 4977 1 126 . 1 1 19 19 LYS HE2 H 1 2.91 0.020 . 1 . . . . . . . . 4977 1 127 . 1 1 19 19 LYS HE3 H 1 2.91 0.020 . 1 . . . . . . . . 4977 1 128 . 1 1 19 19 LYS HD2 H 1 1.61 0.020 . 1 . . . . . . . . 4977 1 129 . 1 1 19 19 LYS HD3 H 1 1.61 0.020 . 1 . . . . . . . . 4977 1 130 . 1 1 19 19 LYS HG2 H 1 1.42 0.020 . 2 . . . . . . . . 4977 1 131 . 1 1 19 19 LYS HG3 H 1 1.35 0.020 . 2 . . . . . . . . 4977 1 132 . 1 1 19 19 LYS HZ1 H 1 7.42 0.020 . 1 . . . . . . . . 4977 1 133 . 1 1 19 19 LYS HZ2 H 1 7.42 0.020 . 1 . . . . . . . . 4977 1 134 . 1 1 19 19 LYS HZ3 H 1 7.42 0.020 . 1 . . . . . . . . 4977 1 135 . 1 1 19 19 LYS N N 15 122.29 0.200 . 1 . . . . . . . . 4977 1 136 . 1 1 20 20 PRO HA H 1 4.34 0.020 . 1 . . . . . . . . 4977 1 137 . 1 1 20 20 PRO HD2 H 1 3.70 0.020 . 2 . . . . . . . . 4977 1 138 . 1 1 20 20 PRO HG2 H 1 2.16 0.020 . 2 . . . . . . . . 4977 1 139 . 1 1 20 20 PRO HB2 H 1 1.84 0.020 . 1 . . . . . . . . 4977 1 140 . 1 1 20 20 PRO HB3 H 1 1.84 0.020 . 1 . . . . . . . . 4977 1 141 . 1 1 20 20 PRO HD3 H 1 3.86 0.020 . 2 . . . . . . . . 4977 1 142 . 1 1 20 20 PRO HG3 H 1 1.96 0.020 . 2 . . . . . . . . 4977 1 143 . 1 1 21 21 SER H H 1 8.58 0.020 . 1 . . . . . . . . 4977 1 144 . 1 1 21 21 SER HA H 1 4.34 0.020 . 1 . . . . . . . . 4977 1 145 . 1 1 21 21 SER HB2 H 1 4.02 0.020 . 2 . . . . . . . . 4977 1 146 . 1 1 21 21 SER HB3 H 1 4.70 0.020 . 2 . . . . . . . . 4977 1 147 . 1 1 22 22 GLY H H 1 8.98 0.020 . 1 . . . . . . . . 4977 1 148 . 1 1 22 22 GLY HA2 H 1 3.90 0.020 . 2 . . . . . . . . 4977 1 149 . 1 1 22 22 GLY HA3 H 1 3.75 0.020 . 2 . . . . . . . . 4977 1 150 . 1 1 22 22 GLY N N 15 109.13 0.200 . 1 . . . . . . . . 4977 1 151 . 1 1 23 23 GLU H H 1 8.43 0.020 . 1 . . . . . . . . 4977 1 152 . 1 1 23 23 GLU HA H 1 4.07 0.020 . 1 . . . . . . . . 4977 1 153 . 1 1 23 23 GLU HG2 H 1 2.39 0.020 . 2 . . . . . . . . 4977 1 154 . 1 1 23 23 GLU HG3 H 1 2.27 0.020 . 2 . . . . . . . . 4977 1 155 . 1 1 23 23 GLU HB2 H 1 2.03 0.020 . 1 . . . . . . . . 4977 1 156 . 1 1 23 23 GLU HB3 H 1 1.80 0.020 . 1 . . . . . . . . 4977 1 157 . 1 1 23 23 GLU N N 15 122.19 0.200 . 1 . . . . . . . . 4977 1 158 . 1 1 24 24 CYS H H 1 7.85 0.020 . 1 . . . . . . . . 4977 1 159 . 1 1 24 24 CYS HA H 1 4.10 0.020 . 1 . . . . . . . . 4977 1 160 . 1 1 24 24 CYS HB2 H 1 3.17 0.020 . 2 . . . . . . . . 4977 1 161 . 1 1 24 24 CYS HB3 H 1 2.87 0.020 . 2 . . . . . . . . 4977 1 162 . 1 1 24 24 CYS N N 15 117.79 0.200 . 1 . . . . . . . . 4977 1 163 . 1 1 25 25 CYS H H 1 8.64 0.020 . 1 . . . . . . . . 4977 1 164 . 1 1 25 25 CYS HA H 1 4.58 0.020 . 1 . . . . . . . . 4977 1 165 . 1 1 25 25 CYS HB2 H 1 3.09 0.020 . 2 . . . . . . . . 4977 1 166 . 1 1 25 25 CYS HB3 H 1 2.74 0.020 . 2 . . . . . . . . 4977 1 167 . 1 1 25 25 CYS N N 15 115.73 0.200 . 1 . . . . . . . . 4977 1 168 . 1 1 26 26 GLY H H 1 8.66 0.020 . 1 . . . . . . . . 4977 1 169 . 1 1 26 26 GLY HA2 H 1 4.00 0.020 . 2 . . . . . . . . 4977 1 170 . 1 1 26 26 GLY HA3 H 1 3.78 0.020 . 2 . . . . . . . . 4977 1 171 . 1 1 26 26 GLY N N 15 128.01 0.200 . 1 . . . . . . . . 4977 1 172 . 1 1 27 27 ASN H H 1 7.99 0.020 . 1 . . . . . . . . 4977 1 173 . 1 1 27 27 ASN HA H 1 4.46 0.020 . 1 . . . . . . . . 4977 1 174 . 1 1 27 27 ASN HB2 H 1 2.70 0.020 . 2 . . . . . . . . 4977 1 175 . 1 1 27 27 ASN HB3 H 1 2.48 0.020 . 2 . . . . . . . . 4977 1 176 . 1 1 27 27 ASN HD21 H 1 7.36 0.020 . 1 . . . . . . . . 4977 1 177 . 1 1 27 27 ASN HD22 H 1 6.96 0.020 . 1 . . . . . . . . 4977 1 178 . 1 1 27 27 ASN N N 15 123.72 0.200 . 1 . . . . . . . . 4977 1 179 . 1 1 28 28 LEU H H 1 8.70 0.020 . 1 . . . . . . . . 4977 1 180 . 1 1 28 28 LEU HA H 1 3.94 0.020 . 1 . . . . . . . . 4977 1 181 . 1 1 28 28 LEU HB2 H 1 2.05 0.020 . 2 . . . . . . . . 4977 1 182 . 1 1 28 28 LEU HB3 H 1 1.29 0.020 . 2 . . . . . . . . 4977 1 183 . 1 1 28 28 LEU HD11 H 1 0.78 0.020 . 2 . . . . . . . . 4977 1 184 . 1 1 28 28 LEU HD12 H 1 0.78 0.020 . 2 . . . . . . . . 4977 1 185 . 1 1 28 28 LEU HD13 H 1 0.78 0.020 . 2 . . . . . . . . 4977 1 186 . 1 1 28 28 LEU HD21 H 1 0.68 0.020 . 2 . . . . . . . . 4977 1 187 . 1 1 28 28 LEU HD22 H 1 0.68 0.020 . 2 . . . . . . . . 4977 1 188 . 1 1 28 28 LEU HD23 H 1 0.68 0.020 . 2 . . . . . . . . 4977 1 189 . 1 1 28 28 LEU HG H 1 1.98 0.020 . 1 . . . . . . . . 4977 1 190 . 1 1 28 28 LEU N N 15 121.19 0.200 . 1 . . . . . . . . 4977 1 191 . 1 1 29 29 ARG H H 1 8.24 0.020 . 1 . . . . . . . . 4977 1 192 . 1 1 29 29 ARG HE H 1 7.29 0.020 . 1 . . . . . . . . 4977 1 193 . 1 1 29 29 ARG HA H 1 3.76 0.020 . 1 . . . . . . . . 4977 1 194 . 1 1 29 29 ARG HD2 H 1 3.24 0.020 . 2 . . . . . . . . 4977 1 195 . 1 1 29 29 ARG HD3 H 1 3.11 0.020 . 2 . . . . . . . . 4977 1 196 . 1 1 29 29 ARG HB2 H 1 1.94 0.020 . 1 . . . . . . . . 4977 1 197 . 1 1 29 29 ARG HB3 H 1 1.94 0.020 . 1 . . . . . . . . 4977 1 198 . 1 1 29 29 ARG HG2 H 1 1.62 0.020 . 2 . . . . . . . . 4977 1 199 . 1 1 29 29 ARG HG3 H 1 1.52 0.020 . 2 . . . . . . . . 4977 1 200 . 1 1 29 29 ARG N N 15 117.00 0.200 . 1 . . . . . . . . 4977 1 201 . 1 1 30 30 ALA H H 1 7.56 0.020 . 1 . . . . . . . . 4977 1 202 . 1 1 30 30 ALA HA H 1 4.16 0.020 . 1 . . . . . . . . 4977 1 203 . 1 1 30 30 ALA HB1 H 1 1.54 0.020 . 1 . . . . . . . . 4977 1 204 . 1 1 30 30 ALA HB2 H 1 1.54 0.020 . 1 . . . . . . . . 4977 1 205 . 1 1 30 30 ALA HB3 H 1 1.54 0.020 . 1 . . . . . . . . 4977 1 206 . 1 1 30 30 ALA N N 15 119.95 0.200 . 1 . . . . . . . . 4977 1 207 . 1 1 31 31 GLN H H 1 7.46 0.020 . 1 . . . . . . . . 4977 1 208 . 1 1 31 31 GLN HA H 1 4.32 0.020 . 1 . . . . . . . . 4977 1 209 . 1 1 31 31 GLN HG2 H 1 2.74 0.020 . 2 . . . . . . . . 4977 1 210 . 1 1 31 31 GLN HB2 H 1 2.53 0.020 . 2 . . . . . . . . 4977 1 211 . 1 1 31 31 GLN HG3 H 1 2.27 0.020 . 2 . . . . . . . . 4977 1 212 . 1 1 31 31 GLN HB3 H 1 1.76 0.020 . 2 . . . . . . . . 4977 1 213 . 1 1 31 31 GLN HE21 H 1 7.54 0.020 . 1 . . . . . . . . 4977 1 214 . 1 1 31 31 GLN HE22 H 1 6.83 0.020 . 1 . . . . . . . . 4977 1 215 . 1 1 31 31 GLN N N 15 115.45 0.200 . 1 . . . . . . . . 4977 1 216 . 1 1 32 32 GLN H H 1 6.87 0.020 . 1 . . . . . . . . 4977 1 217 . 1 1 32 32 GLN HA H 1 4.72 0.020 . 1 . . . . . . . . 4977 1 218 . 1 1 32 32 GLN HB2 H 1 2.10 0.020 . 2 . . . . . . . . 4977 1 219 . 1 1 32 32 GLN HG2 H 1 1.77 0.020 . 1 . . . . . . . . 4977 1 220 . 1 1 32 32 GLN HG3 H 1 1.77 0.020 . 1 . . . . . . . . 4977 1 221 . 1 1 32 32 GLN HB3 H 1 2.31 0.020 . 2 . . . . . . . . 4977 1 222 . 1 1 32 32 GLN HE22 H 1 7.05 0.020 . 1 . . . . . . . . 4977 1 223 . 1 1 32 32 GLN HE21 H 1 7.67 0.020 . 1 . . . . . . . . 4977 1 224 . 1 1 32 32 GLN N N 15 119.42 0.200 . 1 . . . . . . . . 4977 1 225 . 1 1 33 33 GLY H H 1 8.66 0.020 . 1 . . . . . . . . 4977 1 226 . 1 1 33 33 GLY HA2 H 1 3.86 0.020 . 2 . . . . . . . . 4977 1 227 . 1 1 33 33 GLY HA3 H 1 3.61 0.020 . 2 . . . . . . . . 4977 1 228 . 1 1 33 33 GLY N N 15 127.53 0.200 . 1 . . . . . . . . 4977 1 229 . 1 1 34 34 CYS H H 1 8.05 0.020 . 1 . . . . . . . . 4977 1 230 . 1 1 34 34 CYS HA H 1 4.33 0.020 . 1 . . . . . . . . 4977 1 231 . 1 1 34 34 CYS HB3 H 1 3.00 0.020 . 1 . . . . . . . . 4977 1 232 . 1 1 34 34 CYS HB2 H 1 2.35 0.020 . 1 . . . . . . . . 4977 1 233 . 1 1 34 34 CYS N N 15 117.23 0.200 . 1 . . . . . . . . 4977 1 234 . 1 1 35 35 PHE HE1 H 1 7.15 0.020 . 1 . . . . . . . . 4977 1 235 . 1 1 35 35 PHE HE2 H 1 7.15 0.020 . 1 . . . . . . . . 4977 1 236 . 1 1 35 35 PHE HD1 H 1 6.99 0.020 . 1 . . . . . . . . 4977 1 237 . 1 1 35 35 PHE HD2 H 1 6.99 0.020 . 1 . . . . . . . . 4977 1 238 . 1 1 35 35 PHE H H 1 7.07 0.020 . 1 . . . . . . . . 4977 1 239 . 1 1 35 35 PHE HA H 1 4.37 0.020 . 1 . . . . . . . . 4977 1 240 . 1 1 35 35 PHE HB2 H 1 3.24 0.020 . 2 . . . . . . . . 4977 1 241 . 1 1 35 35 PHE HB3 H 1 3.08 0.020 . 2 . . . . . . . . 4977 1 242 . 1 1 35 35 PHE N N 15 118.07 0.200 . 1 . . . . . . . . 4977 1 243 . 1 1 36 36 CYS H H 1 8.80 0.020 . 1 . . . . . . . . 4977 1 244 . 1 1 36 36 CYS HA H 1 4.66 0.020 . 1 . . . . . . . . 4977 1 245 . 1 1 36 36 CYS HB2 H 1 3.06 0.020 . 2 . . . . . . . . 4977 1 246 . 1 1 36 36 CYS HB3 H 1 2.74 0.020 . 2 . . . . . . . . 4977 1 247 . 1 1 36 36 CYS N N 15 114.66 0.200 . 1 . . . . . . . . 4977 1 248 . 1 1 37 37 GLN H H 1 7.76 0.020 . 1 . . . . . . . . 4977 1 249 . 1 1 37 37 GLN HA H 1 4.04 0.020 . 1 . . . . . . . . 4977 1 250 . 1 1 37 37 GLN HG2 H 1 2.30 0.020 . 2 . . . . . . . . 4977 1 251 . 1 1 37 37 GLN HG3 H 1 2.23 0.020 . 2 . . . . . . . . 4977 1 252 . 1 1 37 37 GLN HB2 H 1 2.02 0.020 . 2 . . . . . . . . 4977 1 253 . 1 1 37 37 GLN HB3 H 1 1.96 0.020 . 2 . . . . . . . . 4977 1 254 . 1 1 37 37 GLN HE21 H 1 6.73 0.020 . 2 . . . . . . . . 4977 1 255 . 1 1 37 37 GLN HE22 H 1 7.39 0.020 . 2 . . . . . . . . 4977 1 256 . 1 1 37 37 GLN N N 15 122.32 0.200 . 1 . . . . . . . . 4977 1 257 . 1 1 38 38 TYR H H 1 7.71 0.020 . 1 . . . . . . . . 4977 1 258 . 1 1 38 38 TYR HB2 H 1 2.95 0.020 . 2 . . . . . . . . 4977 1 259 . 1 1 38 38 TYR HB3 H 1 2.83 0.020 . 2 . . . . . . . . 4977 1 260 . 1 1 38 38 TYR HA H 1 4.62 0.020 . 1 . . . . . . . . 4977 1 261 . 1 1 38 38 TYR N N 15 119.39 0.200 . 1 . . . . . . . . 4977 1 262 . 1 1 38 38 TYR HD1 H 1 6.74 0.020 . 1 . . . . . . . . 4977 1 263 . 1 1 38 38 TYR HD2 H 1 6.74 0.020 . 1 . . . . . . . . 4977 1 264 . 1 1 38 38 TYR HE1 H 1 6.58 0.020 . 1 . . . . . . . . 4977 1 265 . 1 1 38 38 TYR HE2 H 1 6.58 0.020 . 1 . . . . . . . . 4977 1 266 . 1 1 39 39 ALA H H 1 8.33 0.020 . 1 . . . . . . . . 4977 1 267 . 1 1 39 39 ALA HA H 1 4.02 0.020 . 1 . . . . . . . . 4977 1 268 . 1 1 39 39 ALA HB1 H 1 1.47 0.020 . 1 . . . . . . . . 4977 1 269 . 1 1 39 39 ALA HB2 H 1 1.47 0.020 . 1 . . . . . . . . 4977 1 270 . 1 1 39 39 ALA HB3 H 1 1.47 0.020 . 1 . . . . . . . . 4977 1 271 . 1 1 39 39 ALA N N 15 117.28 0.200 . 1 . . . . . . . . 4977 1 272 . 1 1 40 40 LYS H H 1 7.17 0.020 . 1 . . . . . . . . 4977 1 273 . 1 1 40 40 LYS HA H 1 4.29 0.020 . 1 . . . . . . . . 4977 1 274 . 1 1 40 40 LYS HE2 H 1 2.89 0.020 . 1 . . . . . . . . 4977 1 275 . 1 1 40 40 LYS HE3 H 1 2.89 0.020 . 1 . . . . . . . . 4977 1 276 . 1 1 40 40 LYS HB2 H 1 1.96 0.020 . 2 . . . . . . . . 4977 1 277 . 1 1 40 40 LYS HB3 H 1 1.79 0.020 . 2 . . . . . . . . 4977 1 278 . 1 1 40 40 LYS HG2 H 1 1.46 0.020 . 2 . . . . . . . . 4977 1 279 . 1 1 40 40 LYS HG3 H 1 1.54 0.020 . 2 . . . . . . . . 4977 1 280 . 1 1 40 40 LYS HZ1 H 1 7.46 0.020 . 1 . . . . . . . . 4977 1 281 . 1 1 40 40 LYS HZ2 H 1 7.46 0.020 . 1 . . . . . . . . 4977 1 282 . 1 1 40 40 LYS HZ3 H 1 7.46 0.020 . 1 . . . . . . . . 4977 1 283 . 1 1 40 40 LYS N N 15 114.81 0.200 . 1 . . . . . . . . 4977 1 284 . 1 1 41 41 ASP H H 1 7.59 0.020 . 1 . . . . . . . . 4977 1 285 . 1 1 41 41 ASP HA H 1 5.09 0.020 . 1 . . . . . . . . 4977 1 286 . 1 1 41 41 ASP HB2 H 1 3.51 0.020 . 1 . . . . . . . . 4977 1 287 . 1 1 41 41 ASP HB3 H 1 2.88 0.020 . 1 . . . . . . . . 4977 1 288 . 1 1 41 41 ASP N N 15 121.68 0.200 . 1 . . . . . . . . 4977 1 289 . 1 1 42 42 PRO HA H 1 4.27 0.020 . 1 . . . . . . . . 4977 1 290 . 1 1 42 42 PRO HD2 H 1 4.16 0.020 . 2 . . . . . . . . 4977 1 291 . 1 1 42 42 PRO HD3 H 1 3.95 0.020 . 2 . . . . . . . . 4977 1 292 . 1 1 42 42 PRO HB2 H 1 2.35 0.020 . 1 . . . . . . . . 4977 1 293 . 1 1 42 42 PRO HB3 H 1 2.35 0.020 . 1 . . . . . . . . 4977 1 294 . 1 1 42 42 PRO HG2 H 1 2.00 0.020 . 1 . . . . . . . . 4977 1 295 . 1 1 42 42 PRO HG3 H 1 2.00 0.020 . 1 . . . . . . . . 4977 1 296 . 1 1 43 43 THR H H 1 8.13 0.020 . 1 . . . . . . . . 4977 1 297 . 1 1 43 43 THR HA H 1 3.77 0.020 . 1 . . . . . . . . 4977 1 298 . 1 1 43 43 THR HB H 1 3.12 0.020 . 1 . . . . . . . . 4977 1 299 . 1 1 43 43 THR HG21 H 1 0.72 0.020 . 1 . . . . . . . . 4977 1 300 . 1 1 43 43 THR HG22 H 1 0.72 0.020 . 1 . . . . . . . . 4977 1 301 . 1 1 43 43 THR HG23 H 1 0.72 0.020 . 1 . . . . . . . . 4977 1 302 . 1 1 43 43 THR N N 15 115.83 0.200 . 1 . . . . . . . . 4977 1 303 . 1 1 44 44 TYR H H 1 7.53 0.020 . 1 . . . . . . . . 4977 1 304 . 1 1 44 44 TYR HA H 1 4.96 0.020 . 1 . . . . . . . . 4977 1 305 . 1 1 44 44 TYR HB2 H 1 3.41 0.020 . 2 . . . . . . . . 4977 1 306 . 1 1 44 44 TYR HB3 H 1 2.88 0.020 . 2 . . . . . . . . 4977 1 307 . 1 1 44 44 TYR N N 15 117.51 0.200 . 1 . . . . . . . . 4977 1 308 . 1 1 44 44 TYR HD1 H 1 7.05 0.020 . 1 . . . . . . . . 4977 1 309 . 1 1 44 44 TYR HD2 H 1 7.05 0.020 . 1 . . . . . . . . 4977 1 310 . 1 1 44 44 TYR HE1 H 1 6.64 0.020 . 1 . . . . . . . . 4977 1 311 . 1 1 44 44 TYR HE2 H 1 6.64 0.020 . 1 . . . . . . . . 4977 1 312 . 1 1 45 45 GLY H H 1 7.89 0.020 . 1 . . . . . . . . 4977 1 313 . 1 1 45 45 GLY HA2 H 1 3.97 0.020 . 2 . . . . . . . . 4977 1 314 . 1 1 45 45 GLY HA3 H 1 3.78 0.020 . 2 . . . . . . . . 4977 1 315 . 1 1 45 45 GLY N N 15 109.85 0.200 . 1 . . . . . . . . 4977 1 316 . 1 1 46 46 GLN H H 1 8.92 0.020 . 1 . . . . . . . . 4977 1 317 . 1 1 46 46 GLN HA H 1 3.85 0.020 . 1 . . . . . . . . 4977 1 318 . 1 1 46 46 GLN HG2 H 1 1.85 0.020 . 1 . . . . . . . . 4977 1 319 . 1 1 46 46 GLN HG3 H 1 1.85 0.020 . 1 . . . . . . . . 4977 1 320 . 1 1 46 46 GLN HB2 H 1 1.72 0.020 . 2 . . . . . . . . 4977 1 321 . 1 1 46 46 GLN HB3 H 1 1.63 0.020 . 2 . . . . . . . . 4977 1 322 . 1 1 46 46 GLN HE21 H 1 7.09 0.020 . 1 . . . . . . . . 4977 1 323 . 1 1 46 46 GLN HE22 H 1 6.73 0.020 . 1 . . . . . . . . 4977 1 324 . 1 1 46 46 GLN N N 15 117.66 0.200 . 1 . . . . . . . . 4977 1 325 . 1 1 47 47 TYR H H 1 7.33 0.020 . 1 . . . . . . . . 4977 1 326 . 1 1 47 47 TYR HA H 1 3.99 0.020 . 1 . . . . . . . . 4977 1 327 . 1 1 47 47 TYR HB3 H 1 2.99 0.020 . 1 . . . . . . . . 4977 1 328 . 1 1 47 47 TYR HB2 H 1 2.81 0.020 . 1 . . . . . . . . 4977 1 329 . 1 1 47 47 TYR N N 15 115.60 0.200 . 1 . . . . . . . . 4977 1 330 . 1 1 47 47 TYR HD1 H 1 6.91 0.020 . 1 . . . . . . . . 4977 1 331 . 1 1 47 47 TYR HD2 H 1 6.91 0.020 . 1 . . . . . . . . 4977 1 332 . 1 1 47 47 TYR HE1 H 1 6.77 0.020 . 1 . . . . . . . . 4977 1 333 . 1 1 47 47 TYR HE2 H 1 6.77 0.020 . 1 . . . . . . . . 4977 1 334 . 1 1 48 48 ILE H H 1 7.46 0.020 . 1 . . . . . . . . 4977 1 335 . 1 1 48 48 ILE HA H 1 3.60 0.020 . 1 . . . . . . . . 4977 1 336 . 1 1 48 48 ILE HB H 1 1.99 0.020 . 1 . . . . . . . . 4977 1 337 . 1 1 48 48 ILE HG12 H 1 1.65 0.020 . 1 . . . . . . . . 4977 1 338 . 1 1 48 48 ILE HG13 H 1 1.65 0.020 . 1 . . . . . . . . 4977 1 339 . 1 1 48 48 ILE HG21 H 1 0.87 0.020 . 1 . . . . . . . . 4977 1 340 . 1 1 48 48 ILE HG22 H 1 0.87 0.020 . 1 . . . . . . . . 4977 1 341 . 1 1 48 48 ILE HG23 H 1 0.87 0.020 . 1 . . . . . . . . 4977 1 342 . 1 1 48 48 ILE HD11 H 1 0.65 0.020 . 1 . . . . . . . . 4977 1 343 . 1 1 48 48 ILE HD12 H 1 0.65 0.020 . 1 . . . . . . . . 4977 1 344 . 1 1 48 48 ILE HD13 H 1 0.65 0.020 . 1 . . . . . . . . 4977 1 345 . 1 1 48 48 ILE N N 15 115.20 0.200 . 1 . . . . . . . . 4977 1 346 . 1 1 49 49 ARG H H 1 7.82 0.020 . 1 . . . . . . . . 4977 1 347 . 1 1 49 49 ARG HA H 1 4.21 0.020 . 1 . . . . . . . . 4977 1 348 . 1 1 49 49 ARG HD2 H 1 3.12 0.020 . 2 . . . . . . . . 4977 1 349 . 1 1 49 49 ARG HD3 H 1 3.02 0.020 . 2 . . . . . . . . 4977 1 350 . 1 1 49 49 ARG HB2 H 1 1.84 0.020 . 1 . . . . . . . . 4977 1 351 . 1 1 49 49 ARG HB3 H 1 1.84 0.020 . 1 . . . . . . . . 4977 1 352 . 1 1 49 49 ARG HG2 H 1 1.65 0.020 . 2 . . . . . . . . 4977 1 353 . 1 1 49 49 ARG HG3 H 1 1.48 0.020 . 2 . . . . . . . . 4977 1 354 . 1 1 49 49 ARG HE H 1 7.18 0.020 . 1 . . . . . . . . 4977 1 355 . 1 1 49 49 ARG N N 15 114.12 0.200 . 1 . . . . . . . . 4977 1 356 . 1 1 50 50 SER H H 1 6.89 0.020 . 1 . . . . . . . . 4977 1 357 . 1 1 50 50 SER HA H 1 4.73 0.020 . 1 . . . . . . . . 4977 1 358 . 1 1 50 50 SER HB2 H 1 4.22 0.020 . 1 . . . . . . . . 4977 1 359 . 1 1 50 50 SER HB3 H 1 3.98 0.020 . 1 . . . . . . . . 4977 1 360 . 1 1 50 50 SER N N 15 115.29 0.200 . 1 . . . . . . . . 4977 1 361 . 1 1 51 51 PRO HA H 1 4.44 0.020 . 1 . . . . . . . . 4977 1 362 . 1 1 51 51 PRO HD2 H 1 3.88 0.020 . 2 . . . . . . . . 4977 1 363 . 1 1 51 51 PRO HD3 H 1 3.84 0.020 . 2 . . . . . . . . 4977 1 364 . 1 1 51 51 PRO HB2 H 1 2.19 0.020 . 1 . . . . . . . . 4977 1 365 . 1 1 51 51 PRO HB3 H 1 2.19 0.020 . 1 . . . . . . . . 4977 1 366 . 1 1 51 51 PRO HG2 H 1 1.40 0.020 . 2 . . . . . . . . 4977 1 367 . 1 1 51 51 PRO HG3 H 1 1.35 0.020 . 2 . . . . . . . . 4977 1 368 . 1 1 52 52 HIS HE1 H 1 8.60 0.020 . 1 . . . . . . . . 4977 1 369 . 1 1 52 52 HIS HD2 H 1 7.06 0.020 . 1 . . . . . . . . 4977 1 370 . 1 1 52 52 HIS H H 1 7.89 0.020 . 1 . . . . . . . . 4977 1 371 . 1 1 52 52 HIS HA H 1 4.97 0.020 . 1 . . . . . . . . 4977 1 372 . 1 1 52 52 HIS HB2 H 1 3.31 0.020 . 2 . . . . . . . . 4977 1 373 . 1 1 52 52 HIS HB3 H 1 3.27 0.020 . 2 . . . . . . . . 4977 1 374 . 1 1 52 52 HIS N N 15 112.88 0.200 . 1 . . . . . . . . 4977 1 375 . 1 1 53 53 ALA H H 1 7.84 0.020 . 1 . . . . . . . . 4977 1 376 . 1 1 53 53 ALA HA H 1 3.90 0.020 . 1 . . . . . . . . 4977 1 377 . 1 1 53 53 ALA HB1 H 1 1.55 0.020 . 1 . . . . . . . . 4977 1 378 . 1 1 53 53 ALA HB2 H 1 1.55 0.020 . 1 . . . . . . . . 4977 1 379 . 1 1 53 53 ALA HB3 H 1 1.55 0.020 . 1 . . . . . . . . 4977 1 380 . 1 1 53 53 ALA N N 15 127.07 0.200 . 1 . . . . . . . . 4977 1 381 . 1 1 54 54 ARG H H 1 8.39 0.020 . 1 . . . . . . . . 4977 1 382 . 1 1 54 54 ARG HE H 1 7.24 0.020 . 1 . . . . . . . . 4977 1 383 . 1 1 54 54 ARG HA H 1 3.69 0.020 . 1 . . . . . . . . 4977 1 384 . 1 1 54 54 ARG HD2 H 1 3.16 0.020 . 1 . . . . . . . . 4977 1 385 . 1 1 54 54 ARG HD3 H 1 3.16 0.020 . 1 . . . . . . . . 4977 1 386 . 1 1 54 54 ARG HB2 H 1 1.81 0.020 . 1 . . . . . . . . 4977 1 387 . 1 1 54 54 ARG HB3 H 1 1.81 0.020 . 1 . . . . . . . . 4977 1 388 . 1 1 54 54 ARG HG2 H 1 1.67 0.020 . 2 . . . . . . . . 4977 1 389 . 1 1 54 54 ARG HG3 H 1 1.45 0.020 . 2 . . . . . . . . 4977 1 390 . 1 1 54 54 ARG N N 15 117.25 0.200 . 1 . . . . . . . . 4977 1 391 . 1 1 55 55 ASP H H 1 8.03 0.020 . 1 . . . . . . . . 4977 1 392 . 1 1 55 55 ASP HA H 1 4.35 0.020 . 1 . . . . . . . . 4977 1 393 . 1 1 55 55 ASP HB2 H 1 2.84 0.020 . 1 . . . . . . . . 4977 1 394 . 1 1 55 55 ASP HB3 H 1 2.65 0.020 . 1 . . . . . . . . 4977 1 395 . 1 1 55 55 ASP N N 15 117.56 0.200 . 1 . . . . . . . . 4977 1 396 . 1 1 56 56 THR H H 1 7.70 0.020 . 1 . . . . . . . . 4977 1 397 . 1 1 56 56 THR HB H 1 4.24 0.020 . 1 . . . . . . . . 4977 1 398 . 1 1 56 56 THR HA H 1 3.64 0.020 . 1 . . . . . . . . 4977 1 399 . 1 1 56 56 THR HG21 H 1 0.92 0.020 . 1 . . . . . . . . 4977 1 400 . 1 1 56 56 THR HG22 H 1 0.92 0.020 . 1 . . . . . . . . 4977 1 401 . 1 1 56 56 THR HG23 H 1 0.92 0.020 . 1 . . . . . . . . 4977 1 402 . 1 1 56 56 THR N N 15 117.86 0.200 . 1 . . . . . . . . 4977 1 403 . 1 1 57 57 LEU H H 1 7.26 0.020 . 1 . . . . . . . . 4977 1 404 . 1 1 57 57 LEU HA H 1 3.60 0.020 . 1 . . . . . . . . 4977 1 405 . 1 1 57 57 LEU HB3 H 1 1.82 0.020 . 1 . . . . . . . . 4977 1 406 . 1 1 57 57 LEU HG H 1 1.62 0.020 . 1 . . . . . . . . 4977 1 407 . 1 1 57 57 LEU HB2 H 1 1.38 0.020 . 1 . . . . . . . . 4977 1 408 . 1 1 57 57 LEU HD11 H 1 0.65 0.020 . 2 . . . . . . . . 4977 1 409 . 1 1 57 57 LEU HD12 H 1 0.65 0.020 . 2 . . . . . . . . 4977 1 410 . 1 1 57 57 LEU HD13 H 1 0.65 0.020 . 2 . . . . . . . . 4977 1 411 . 1 1 57 57 LEU HD21 H 1 0.54 0.020 . 2 . . . . . . . . 4977 1 412 . 1 1 57 57 LEU HD22 H 1 0.54 0.020 . 2 . . . . . . . . 4977 1 413 . 1 1 57 57 LEU HD23 H 1 0.54 0.020 . 2 . . . . . . . . 4977 1 414 . 1 1 57 57 LEU N N 15 119.77 0.200 . 1 . . . . . . . . 4977 1 415 . 1 1 58 58 THR H H 1 8.52 0.020 . 1 . . . . . . . . 4977 1 416 . 1 1 58 58 THR HB H 1 4.22 0.020 . 1 . . . . . . . . 4977 1 417 . 1 1 58 58 THR HA H 1 4.04 0.020 . 1 . . . . . . . . 4977 1 418 . 1 1 58 58 THR HG21 H 1 1.21 0.020 . 1 . . . . . . . . 4977 1 419 . 1 1 58 58 THR HG22 H 1 1.21 0.020 . 1 . . . . . . . . 4977 1 420 . 1 1 58 58 THR HG23 H 1 1.21 0.020 . 1 . . . . . . . . 4977 1 421 . 1 1 58 58 THR N N 15 115.14 0.200 . 1 . . . . . . . . 4977 1 422 . 1 1 59 59 SER H H 1 8.55 0.020 . 1 . . . . . . . . 4977 1 423 . 1 1 59 59 SER HA H 1 4.22 0.020 . 1 . . . . . . . . 4977 1 424 . 1 1 59 59 SER HB3 H 1 4.04 0.020 . 1 . . . . . . . . 4977 1 425 . 1 1 59 59 SER HB2 H 1 3.83 0.020 . 1 . . . . . . . . 4977 1 426 . 1 1 59 59 SER N N 15 121.47 0.200 . 1 . . . . . . . . 4977 1 427 . 1 1 60 60 CYS H H 1 7.43 0.020 . 1 . . . . . . . . 4977 1 428 . 1 1 60 60 CYS HA H 1 4.84 0.020 . 1 . . . . . . . . 4977 1 429 . 1 1 60 60 CYS HB2 H 1 3.19 0.020 . 1 . . . . . . . . 4977 1 430 . 1 1 60 60 CYS HB3 H 1 2.69 0.020 . 1 . . . . . . . . 4977 1 431 . 1 1 60 60 CYS N N 15 116.77 0.200 . 1 . . . . . . . . 4977 1 432 . 1 1 61 61 GLY H H 1 8.13 0.020 . 1 . . . . . . . . 4977 1 433 . 1 1 61 61 GLY HA2 H 1 4.00 0.020 . 2 . . . . . . . . 4977 1 434 . 1 1 61 61 GLY HA3 H 1 3.81 0.020 . 2 . . . . . . . . 4977 1 435 . 1 1 61 61 GLY N N 15 110.06 0.200 . 1 . . . . . . . . 4977 1 436 . 1 1 62 62 LEU H H 1 7.96 0.020 . 1 . . . . . . . . 4977 1 437 . 1 1 62 62 LEU HA H 1 4.54 0.020 . 1 . . . . . . . . 4977 1 438 . 1 1 62 62 LEU HB2 H 1 1.55 0.020 . 1 . . . . . . . . 4977 1 439 . 1 1 62 62 LEU HB3 H 1 1.55 0.020 . 1 . . . . . . . . 4977 1 440 . 1 1 62 62 LEU HG H 1 1.40 0.020 . 1 . . . . . . . . 4977 1 441 . 1 1 62 62 LEU HD11 H 1 0.81 0.020 . 2 . . . . . . . . 4977 1 442 . 1 1 62 62 LEU HD12 H 1 0.81 0.020 . 2 . . . . . . . . 4977 1 443 . 1 1 62 62 LEU HD13 H 1 0.81 0.020 . 2 . . . . . . . . 4977 1 444 . 1 1 62 62 LEU HD21 H 1 0.77 0.020 . 2 . . . . . . . . 4977 1 445 . 1 1 62 62 LEU HD22 H 1 0.77 0.020 . 2 . . . . . . . . 4977 1 446 . 1 1 62 62 LEU HD23 H 1 0.77 0.020 . 2 . . . . . . . . 4977 1 447 . 1 1 62 62 LEU N N 15 120.56 0.200 . 1 . . . . . . . . 4977 1 448 . 1 1 63 63 ALA H H 1 8.24 0.020 . 1 . . . . . . . . 4977 1 449 . 1 1 63 63 ALA HA H 1 4.22 0.020 . 1 . . . . . . . . 4977 1 450 . 1 1 63 63 ALA HB1 H 1 1.23 0.020 . 1 . . . . . . . . 4977 1 451 . 1 1 63 63 ALA HB2 H 1 1.23 0.020 . 1 . . . . . . . . 4977 1 452 . 1 1 63 63 ALA HB3 H 1 1.23 0.020 . 1 . . . . . . . . 4977 1 453 . 1 1 63 63 ALA N N 15 123.23 0.200 . 1 . . . . . . . . 4977 1 454 . 1 1 64 64 VAL H H 1 8.27 0.020 . 1 . . . . . . . . 4977 1 455 . 1 1 64 64 VAL HA H 1 4.01 0.020 . 1 . . . . . . . . 4977 1 456 . 1 1 64 64 VAL HB H 1 1.92 0.020 . 1 . . . . . . . . 4977 1 457 . 1 1 64 64 VAL HG11 H 1 0.92 0.020 . 2 . . . . . . . . 4977 1 458 . 1 1 64 64 VAL HG12 H 1 0.92 0.020 . 2 . . . . . . . . 4977 1 459 . 1 1 64 64 VAL HG13 H 1 0.92 0.020 . 2 . . . . . . . . 4977 1 460 . 1 1 64 64 VAL HG21 H 1 0.87 0.020 . 2 . . . . . . . . 4977 1 461 . 1 1 64 64 VAL HG22 H 1 0.87 0.020 . 2 . . . . . . . . 4977 1 462 . 1 1 64 64 VAL HG23 H 1 0.87 0.020 . 2 . . . . . . . . 4977 1 463 . 1 1 64 64 VAL N N 15 121.60 0.200 . 1 . . . . . . . . 4977 1 464 . 1 1 65 65 PRO HA H 1 4.43 0.020 . 1 . . . . . . . . 4977 1 465 . 1 1 65 65 PRO HD2 H 1 3.54 0.020 . 2 . . . . . . . . 4977 1 466 . 1 1 65 65 PRO HB2 H 1 2.32 0.020 . 1 . . . . . . . . 4977 1 467 . 1 1 65 65 PRO HB3 H 1 2.32 0.020 . 1 . . . . . . . . 4977 1 468 . 1 1 65 65 PRO HG2 H 1 2.05 0.020 . 2 . . . . . . . . 4977 1 469 . 1 1 65 65 PRO HG3 H 1 1.91 0.020 . 2 . . . . . . . . 4977 1 470 . 1 1 65 65 PRO HD3 H 1 3.85 0.020 . 2 . . . . . . . . 4977 1 471 . 1 1 66 66 HIS H H 1 8.54 0.020 . 1 . . . . . . . . 4977 1 472 . 1 1 66 66 HIS HB2 H 1 3.17 0.020 . 2 . . . . . . . . 4977 1 473 . 1 1 66 66 HIS HB3 H 1 3.07 0.020 . 2 . . . . . . . . 4977 1 474 . 1 1 66 66 HIS HA H 1 4.62 0.020 . 1 . . . . . . . . 4977 1 475 . 1 1 66 66 HIS N N 15 118.37 0.200 . 1 . . . . . . . . 4977 1 476 . 1 1 66 66 HIS HE1 H 1 8.48 0.020 . 1 . . . . . . . . 4977 1 477 . 1 1 66 66 HIS HD2 H 1 7.22 0.020 . 1 . . . . . . . . 4977 1 478 . 1 1 67 67 CYS H H 1 8.19 0.020 . 1 . . . . . . . . 4977 1 479 . 1 1 67 67 CYS HA H 1 4.61 0.020 . 1 . . . . . . . . 4977 1 480 . 1 1 67 67 CYS HB2 H 1 3.21 0.020 . 2 . . . . . . . . 4977 1 481 . 1 1 67 67 CYS HB3 H 1 2.52 0.020 . 2 . . . . . . . . 4977 1 482 . 1 1 67 67 CYS N N 15 126.85 0.200 . 1 . . . . . . . . 4977 1 stop_ save_