################################### # 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_shifts_assigned _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shifts_assigned _Assigned_chem_shift_list.Entry_ID 4767 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 HNCO 1 $sample_1 . 4767 1 2 HBHA(CBCACO)NH 1 $sample_1 . 4767 1 3 HNCACB 1 $sample_1 . 4767 1 4 CBCA(CO)NH 1 $sample_1 . 4767 1 5 '1H-15N TOCSY-HSQC' 1 $sample_1 . 4767 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 4.19 0.05 . 1 . . . . . . . . 4767 1 2 . 1 1 1 1 ALA CA C 13 51.3 0.5 . 1 . . . . . . . . 4767 1 3 . 1 1 1 1 ALA CB C 13 19.1 0.5 . 1 . . . . . . . . 4767 1 4 . 1 1 1 1 ALA C C 13 173.4 0.5 . 1 . . . . . . . . 4767 1 5 . 1 1 2 2 ASP HA H 1 4.69 0.05 . 1 . . . . . . . . 4767 1 6 . 1 1 2 2 ASP CA C 13 53.1 0.5 . 1 . . . . . . . . 4767 1 7 . 1 1 2 2 ASP CB C 13 40.6 0.5 . 1 . . . . . . . . 4767 1 8 . 1 1 2 2 ASP C C 13 176.1 0.5 . 1 . . . . . . . . 4767 1 9 . 1 1 3 3 LEU HA H 1 4.10 0.05 . 1 . . . . . . . . 4767 1 10 . 1 1 3 3 LEU CA C 13 58.8 0.5 . 1 . . . . . . . . 4767 1 11 . 1 1 3 3 LEU CB C 13 41.8 0.5 . 1 . . . . . . . . 4767 1 12 . 1 1 3 3 LEU C C 13 178.4 0.5 . 1 . . . . . . . . 4767 1 13 . 1 1 4 4 GLU HA H 1 4.11 0.05 . 1 . . . . . . . . 4767 1 14 . 1 1 4 4 GLU CA C 13 59.1 0.5 . 1 . . . . . . . . 4767 1 15 . 1 1 4 4 GLU CB C 13 28.4 0.5 . 1 . . . . . . . . 4767 1 16 . 1 1 4 4 GLU C C 13 179.0 0.5 . 1 . . . . . . . . 4767 1 17 . 1 1 5 5 ASP HA H 1 4.53 0.05 . 1 . . . . . . . . 4767 1 18 . 1 1 5 5 ASP CA C 13 57.3 0.5 . 1 . . . . . . . . 4767 1 19 . 1 1 5 5 ASP CB C 13 40.0 0.5 . 1 . . . . . . . . 4767 1 20 . 1 1 5 5 ASP C C 13 179.0 0.5 . 1 . . . . . . . . 4767 1 21 . 1 1 6 6 ASN HA H 1 4.62 0.05 . 1 . . . . . . . . 4767 1 22 . 1 1 6 6 ASN CA C 13 56.8 0.5 . 1 . . . . . . . . 4767 1 23 . 1 1 6 6 ASN CB C 13 39.4 0.5 . 1 . . . . . . . . 4767 1 24 . 1 1 6 6 ASN C C 13 177.7 0.5 . 1 . . . . . . . . 4767 1 25 . 1 1 7 7 MET HA H 1 4.56 0.05 . 1 . . . . . . . . 4767 1 26 . 1 1 7 7 MET CA C 13 57.5 0.5 . 1 . . . . . . . . 4767 1 27 . 1 1 7 7 MET CB C 13 30.4 0.5 . 1 . . . . . . . . 4767 1 28 . 1 1 7 7 MET C C 13 179.4 0.5 . 1 . . . . . . . . 4767 1 29 . 1 1 8 8 GLU HA H 1 4.29 0.05 . 1 . . . . . . . . 4767 1 30 . 1 1 8 8 GLU CA C 13 58.8 0.5 . 1 . . . . . . . . 4767 1 31 . 1 1 8 8 GLU CB C 13 28.2 0.5 . 1 . . . . . . . . 4767 1 32 . 1 1 8 8 GLU C C 13 178.4 0.5 . 1 . . . . . . . . 4767 1 33 . 1 1 9 9 THR HA H 1 4.13 0.05 . 1 . . . . . . . . 4767 1 34 . 1 1 9 9 THR CA C 13 66.5 0.5 . 1 . . . . . . . . 4767 1 35 . 1 1 9 9 THR CB C 13 68.0 0.5 . 1 . . . . . . . . 4767 1 36 . 1 1 9 9 THR C C 13 178.3 0.5 . 1 . . . . . . . . 4767 1 37 . 1 1 10 10 LEU HA H 1 4.07 0.05 . 1 . . . . . . . . 4767 1 38 . 1 1 10 10 LEU CA C 13 59.9 0.5 . 1 . . . . . . . . 4767 1 39 . 1 1 10 10 LEU CB C 13 41.5 0.5 . 1 . . . . . . . . 4767 1 40 . 1 1 10 10 LEU C C 13 177.5 0.5 . 1 . . . . . . . . 4767 1 41 . 1 1 11 11 ASN HA H 1 4.47 0.05 . 1 . . . . . . . . 4767 1 42 . 1 1 11 11 ASN CA C 13 56.3 0.5 . 1 . . . . . . . . 4767 1 43 . 1 1 11 11 ASN CB C 13 38.7 0.5 . 1 . . . . . . . . 4767 1 44 . 1 1 11 11 ASN C C 13 178.1 0.5 . 1 . . . . . . . . 4767 1 45 . 1 1 12 12 ASP HA H 1 4.44 0.05 . 1 . . . . . . . . 4767 1 46 . 1 1 12 12 ASP CA C 13 57.4 0.5 . 1 . . . . . . . . 4767 1 47 . 1 1 12 12 ASP CB C 13 39.8 0.5 . 1 . . . . . . . . 4767 1 48 . 1 1 12 12 ASP C C 13 179.6 0.5 . 1 . . . . . . . . 4767 1 49 . 1 1 13 13 ASN HA H 1 4.59 0.05 . 1 . . . . . . . . 4767 1 50 . 1 1 13 13 ASN CA C 13 57.3 0.5 . 1 . . . . . . . . 4767 1 51 . 1 1 13 13 ASN CB C 13 40.5 0.5 . 1 . . . . . . . . 4767 1 52 . 1 1 13 13 ASN C C 13 177.0 0.5 . 1 . . . . . . . . 4767 1 53 . 1 1 14 14 LEU HA H 1 4.16 0.05 . 1 . . . . . . . . 4767 1 54 . 1 1 14 14 LEU CA C 13 58.5 0.5 . 1 . . . . . . . . 4767 1 55 . 1 1 14 14 LEU CB C 13 41.2 0.5 . 1 . . . . . . . . 4767 1 56 . 1 1 14 14 LEU C C 13 179.0 0.5 . 1 . . . . . . . . 4767 1 57 . 1 1 15 15 LYS HA H 1 4.18 0.05 . 1 . . . . . . . . 4767 1 58 . 1 1 15 15 LYS CA C 13 59.2 0.5 . 1 . . . . . . . . 4767 1 59 . 1 1 15 15 LYS CB C 13 31.7 0.5 . 1 . . . . . . . . 4767 1 60 . 1 1 15 15 LYS C C 13 179.3 0.5 . 1 . . . . . . . . 4767 1 61 . 1 1 16 16 VAL HA H 1 3.61 0.05 . 1 . . . . . . . . 4767 1 62 . 1 1 16 16 VAL CA C 13 66.4 0.5 . 1 . . . . . . . . 4767 1 63 . 1 1 16 16 VAL CB C 13 31.3 0.5 . 1 . . . . . . . . 4767 1 64 . 1 1 16 16 VAL C C 13 179.1 0.5 . 1 . . . . . . . . 4767 1 65 . 1 1 17 17 ILE HA H 1 3.44 0.05 . 1 . . . . . . . . 4767 1 66 . 1 1 17 17 ILE CA C 13 66.3 0.5 . 1 . . . . . . . . 4767 1 67 . 1 1 17 17 ILE CB C 13 38.2 0.5 . 1 . . . . . . . . 4767 1 68 . 1 1 17 17 ILE C C 13 177.8 0.5 . 1 . . . . . . . . 4767 1 69 . 1 1 18 18 GLU HA H 1 3.99 0.05 . 1 . . . . . . . . 4767 1 70 . 1 1 18 18 GLU CA C 13 58.5 0.5 . 1 . . . . . . . . 4767 1 71 . 1 1 18 18 GLU CB C 13 28.9 0.5 . 1 . . . . . . . . 4767 1 72 . 1 1 18 18 GLU C C 13 177.6 0.5 . 1 . . . . . . . . 4767 1 73 . 1 1 19 19 LYS HA H 1 4.49 0.05 . 1 . . . . . . . . 4767 1 74 . 1 1 19 19 LYS CA C 13 54.8 0.5 . 1 . . . . . . . . 4767 1 75 . 1 1 19 19 LYS CB C 13 33.0 0.5 . 1 . . . . . . . . 4767 1 76 . 1 1 19 19 LYS C C 13 175.9 0.5 . 1 . . . . . . . . 4767 1 77 . 1 1 20 20 ALA HA H 1 4.21 0.05 . 1 . . . . . . . . 4767 1 78 . 1 1 20 20 ALA CA C 13 53.1 0.5 . 1 . . . . . . . . 4767 1 79 . 1 1 20 20 ALA CB C 13 20.9 0.5 . 1 . . . . . . . . 4767 1 80 . 1 1 20 20 ALA C C 13 177.0 0.5 . 1 . . . . . . . . 4767 1 81 . 1 1 21 21 ASP HA H 1 4.86 0.05 . 1 . . . . . . . . 4767 1 82 . 1 1 21 21 ASP CA C 13 53.3 0.5 . 1 . . . . . . . . 4767 1 83 . 1 1 21 21 ASP CB C 13 42.7 0.5 . 1 . . . . . . . . 4767 1 84 . 1 1 21 21 ASP C C 13 176.1 0.5 . 1 . . . . . . . . 4767 1 85 . 1 1 22 22 ASN HA H 1 5.02 0.05 . 1 . . . . . . . . 4767 1 86 . 1 1 22 22 ASN CA C 13 51.9 0.5 . 1 . . . . . . . . 4767 1 87 . 1 1 22 22 ASN CB C 13 41.2 0.5 . 1 . . . . . . . . 4767 1 88 . 1 1 22 22 ASN C C 13 174.3 0.5 . 1 . . . . . . . . 4767 1 89 . 1 1 23 23 ALA HA H 1 3.84 0.05 . 1 . . . . . . . . 4767 1 90 . 1 1 23 23 ALA CA C 13 55.0 0.5 . 1 . . . . . . . . 4767 1 91 . 1 1 23 23 ALA CB C 13 18.3 0.5 . 1 . . . . . . . . 4767 1 92 . 1 1 23 23 ALA C C 13 178.4 0.5 . 1 . . . . . . . . 4767 1 93 . 1 1 24 24 ALA HA H 1 4.10 0.05 . 1 . . . . . . . . 4767 1 94 . 1 1 24 24 ALA CA C 13 55.5 0.5 . 1 . . . . . . . . 4767 1 95 . 1 1 24 24 ALA CB C 13 17.5 0.5 . 1 . . . . . . . . 4767 1 96 . 1 1 24 24 ALA C C 13 180.6 0.5 . 1 . . . . . . . . 4767 1 97 . 1 1 25 25 GLN HA H 1 4.20 0.05 . 1 . . . . . . . . 4767 1 98 . 1 1 25 25 GLN CA C 13 58.3 0.5 . 1 . . . . . . . . 4767 1 99 . 1 1 25 25 GLN CB C 13 29.6 0.5 . 1 . . . . . . . . 4767 1 100 . 1 1 25 25 GLN C C 13 179.7 0.5 . 1 . . . . . . . . 4767 1 101 . 1 1 26 26 VAL HA H 1 3.56 0.05 . 1 . . . . . . . . 4767 1 102 . 1 1 26 26 VAL CA C 13 66.8 0.5 . 1 . . . . . . . . 4767 1 103 . 1 1 26 26 VAL CB C 13 31.7 0.5 . 1 . . . . . . . . 4767 1 104 . 1 1 26 26 VAL C C 13 176.8 0.5 . 1 . . . . . . . . 4767 1 105 . 1 1 27 27 LYS HA H 1 3.79 0.05 . 1 . . . . . . . . 4767 1 106 . 1 1 27 27 LYS CA C 13 60.4 0.5 . 1 . . . . . . . . 4767 1 107 . 1 1 27 27 LYS CB C 13 32.3 0.5 . 1 . . . . . . . . 4767 1 108 . 1 1 27 27 LYS C C 13 179.0 0.5 . 1 . . . . . . . . 4767 1 109 . 1 1 28 28 ASP HA H 1 4.41 0.05 . 1 . . . . . . . . 4767 1 110 . 1 1 28 28 ASP CA C 13 57.5 0.5 . 1 . . . . . . . . 4767 1 111 . 1 1 28 28 ASP CB C 13 41.2 0.5 . 1 . . . . . . . . 4767 1 112 . 1 1 28 28 ASP C C 13 177.9 0.5 . 1 . . . . . . . . 4767 1 113 . 1 1 29 29 ALA HA H 1 4.26 0.05 . 1 . . . . . . . . 4767 1 114 . 1 1 29 29 ALA CA C 13 54.8 0.5 . 1 . . . . . . . . 4767 1 115 . 1 1 29 29 ALA CB C 13 19.5 0.5 . 1 . . . . . . . . 4767 1 116 . 1 1 29 29 ALA C C 13 180.5 0.5 . 1 . . . . . . . . 4767 1 117 . 1 1 30 30 LEU HA H 1 4.19 0.05 . 1 . . . . . . . . 4767 1 118 . 1 1 30 30 LEU CA C 13 57.6 0.5 . 1 . . . . . . . . 4767 1 119 . 1 1 30 30 LEU CB C 13 42.4 0.5 . 1 . . . . . . . . 4767 1 120 . 1 1 30 30 LEU C C 13 179.1 0.5 . 1 . . . . . . . . 4767 1 121 . 1 1 31 31 THR HA H 1 3.83 0.05 . 1 . . . . . . . . 4767 1 122 . 1 1 31 31 THR CA C 13 67.6 0.5 . 1 . . . . . . . . 4767 1 123 . 1 1 31 31 THR CB C 13 68.1 0.5 . 1 . . . . . . . . 4767 1 124 . 1 1 31 31 THR C C 13 177.5 0.5 . 1 . . . . . . . . 4767 1 125 . 1 1 32 32 LYS HA H 1 4.16 0.05 . 1 . . . . . . . . 4767 1 126 . 1 1 32 32 LYS CA C 13 59.4 0.5 . 1 . . . . . . . . 4767 1 127 . 1 1 32 32 LYS CB C 13 32.4 0.5 . 1 . . . . . . . . 4767 1 128 . 1 1 32 32 LYS C C 13 180.6 0.5 . 1 . . . . . . . . 4767 1 129 . 1 1 33 33 MET HA H 1 3.79 0.05 . 1 . . . . . . . . 4767 1 130 . 1 1 33 33 MET CA C 13 59.9 0.5 . 1 . . . . . . . . 4767 1 131 . 1 1 33 33 MET CB C 13 33.6 0.5 . 1 . . . . . . . . 4767 1 132 . 1 1 33 33 MET C C 13 176.7 0.5 . 1 . . . . . . . . 4767 1 133 . 1 1 34 34 ARG HA H 1 3.71 0.05 . 1 . . . . . . . . 4767 1 134 . 1 1 34 34 ARG CA C 13 60.2 0.5 . 1 . . . . . . . . 4767 1 135 . 1 1 34 34 ARG CB C 13 30.5 0.5 . 1 . . . . . . . . 4767 1 136 . 1 1 34 34 ARG C C 13 177.2 0.5 . 1 . . . . . . . . 4767 1 137 . 1 1 35 35 ALA HA H 1 4.14 0.05 . 1 . . . . . . . . 4767 1 138 . 1 1 35 35 ALA CA C 13 54.6 0.5 . 1 . . . . . . . . 4767 1 139 . 1 1 35 35 ALA CB C 13 17.8 0.5 . 1 . . . . . . . . 4767 1 140 . 1 1 35 35 ALA C C 13 180.5 0.5 . 1 . . . . . . . . 4767 1 141 . 1 1 36 36 ALA HA H 1 4.21 0.05 . 1 . . . . . . . . 4767 1 142 . 1 1 36 36 ALA CA C 13 54.6 0.5 . 1 . . . . . . . . 4767 1 143 . 1 1 36 36 ALA CB C 13 18.1 0.5 . 1 . . . . . . . . 4767 1 144 . 1 1 36 36 ALA C C 13 179.2 0.5 . 1 . . . . . . . . 4767 1 145 . 1 1 37 37 ALA HA H 1 3.93 0.05 . 1 . . . . . . . . 4767 1 146 . 1 1 37 37 ALA CA C 13 55.0 0.5 . 1 . . . . . . . . 4767 1 147 . 1 1 37 37 ALA CB C 13 18.6 0.5 . 1 . . . . . . . . 4767 1 148 . 1 1 37 37 ALA C C 13 178.5 0.5 . 1 . . . . . . . . 4767 1 149 . 1 1 38 38 LEU HA H 1 3.99 0.05 . 1 . . . . . . . . 4767 1 150 . 1 1 38 38 LEU CA C 13 57.3 0.5 . 1 . . . . . . . . 4767 1 151 . 1 1 38 38 LEU CB C 13 42.0 0.5 . 1 . . . . . . . . 4767 1 152 . 1 1 38 38 LEU C C 13 179.9 0.5 . 1 . . . . . . . . 4767 1 153 . 1 1 39 39 ASP HA H 1 4.43 0.05 . 1 . . . . . . . . 4767 1 154 . 1 1 39 39 ASP CA C 13 57.2 0.5 . 1 . . . . . . . . 4767 1 155 . 1 1 39 39 ASP CB C 13 41.2 0.5 . 1 . . . . . . . . 4767 1 156 . 1 1 39 39 ASP C C 13 179.3 0.5 . 1 . . . . . . . . 4767 1 157 . 1 1 40 40 ALA HA H 1 3.83 0.05 . 1 . . . . . . . . 4767 1 158 . 1 1 40 40 ALA CA C 13 54.6 0.5 . 1 . . . . . . . . 4767 1 159 . 1 1 40 40 ALA CB C 13 18.2 0.5 . 1 . . . . . . . . 4767 1 160 . 1 1 40 40 ALA C C 13 177.8 0.5 . 1 . . . . . . . . 4767 1 161 . 1 1 41 41 GLN HA H 1 3.37 0.05 . 1 . . . . . . . . 4767 1 162 . 1 1 41 41 GLN CA C 13 57.5 0.5 . 1 . . . . . . . . 4767 1 163 . 1 1 41 41 GLN CB C 13 29.1 0.5 . 1 . . . . . . . . 4767 1 164 . 1 1 41 41 GLN C C 13 175.6 0.5 . 1 . . . . . . . . 4767 1 165 . 1 1 42 42 LYS HA H 1 4.34 0.05 . 1 . . . . . . . . 4767 1 166 . 1 1 42 42 LYS CA C 13 55.9 0.5 . 1 . . . . . . . . 4767 1 167 . 1 1 42 42 LYS CB C 13 32.9 0.5 . 1 . . . . . . . . 4767 1 168 . 1 1 42 42 LYS C C 13 176.7 0.5 . 1 . . . . . . . . 4767 1 169 . 1 1 43 43 ALA HA H 1 4.46 0.05 . 1 . . . . . . . . 4767 1 170 . 1 1 43 43 ALA CA C 13 51.5 0.5 . 1 . . . . . . . . 4767 1 171 . 1 1 43 43 ALA CB C 13 20.4 0.5 . 1 . . . . . . . . 4767 1 172 . 1 1 43 43 ALA C C 13 175.8 0.5 . 1 . . . . . . . . 4767 1 173 . 1 1 44 44 THR HA H 1 4.45 0.05 . 1 . . . . . . . . 4767 1 174 . 1 1 44 44 THR CA C 13 59.2 0.5 . 1 . . . . . . . . 4767 1 175 . 1 1 44 44 THR CB C 13 70.0 0.5 . 1 . . . . . . . . 4767 1 176 . 1 1 46 46 PRO HA H 1 4.38 0.05 . 1 . . . . . . . . 4767 1 177 . 1 1 46 46 PRO CA C 13 64.7 0.5 . 1 . . . . . . . . 4767 1 178 . 1 1 46 46 PRO CB C 13 31.9 0.5 . 1 . . . . . . . . 4767 1 179 . 1 1 46 46 PRO C C 13 178.7 0.5 . 1 . . . . . . . . 4767 1 180 . 1 1 47 47 LYS HA H 1 4.24 0.05 . 1 . . . . . . . . 4767 1 181 . 1 1 47 47 LYS CA C 13 57.6 0.5 . 1 . . . . . . . . 4767 1 182 . 1 1 47 47 LYS CB C 13 31.9 0.5 . 1 . . . . . . . . 4767 1 183 . 1 1 47 47 LYS C C 13 176.9 0.5 . 1 . . . . . . . . 4767 1 184 . 1 1 48 48 LEU HA H 1 4.56 0.05 . 1 . . . . . . . . 4767 1 185 . 1 1 48 48 LEU CA C 13 53.5 0.5 . 1 . . . . . . . . 4767 1 186 . 1 1 48 48 LEU CB C 13 41.7 0.5 . 1 . . . . . . . . 4767 1 187 . 1 1 49 49 GLU HA H 1 3.99 0.05 . 1 . . . . . . . . 4767 1 188 . 1 1 49 49 GLU CA C 13 58.6 0.5 . 1 . . . . . . . . 4767 1 189 . 1 1 49 49 GLU CB C 13 29.0 0.5 . 1 . . . . . . . . 4767 1 190 . 1 1 49 49 GLU C C 13 176.3 0.5 . 1 . . . . . . . . 4767 1 191 . 1 1 50 50 ASP HA H 1 4.71 0.05 . 1 . . . . . . . . 4767 1 192 . 1 1 50 50 ASP CA C 13 53.5 0.5 . 1 . . . . . . . . 4767 1 193 . 1 1 50 50 ASP CB C 13 39.9 0.5 . 1 . . . . . . . . 4767 1 194 . 1 1 50 50 ASP C C 13 176.1 0.5 . 1 . . . . . . . . 4767 1 195 . 1 1 51 51 LYS HA H 1 4.56 0.05 . 1 . . . . . . . . 4767 1 196 . 1 1 51 51 LYS CA C 13 53.7 0.5 . 1 . . . . . . . . 4767 1 197 . 1 1 51 51 LYS CB C 13 32.6 0.5 . 1 . . . . . . . . 4767 1 198 . 1 1 51 51 LYS C C 13 176.8 0.5 . 1 . . . . . . . . 4767 1 199 . 1 1 52 52 SER HA H 1 4.80 0.05 . 1 . . . . . . . . 4767 1 200 . 1 1 52 52 SER CA C 13 56.5 0.5 . 1 . . . . . . . . 4767 1 201 . 1 1 52 52 SER CB C 13 62.7 0.5 . 1 . . . . . . . . 4767 1 202 . 1 1 53 53 PRO HA H 1 4.42 0.05 . 1 . . . . . . . . 4767 1 203 . 1 1 53 53 PRO CA C 13 65.0 0.5 . 1 . . . . . . . . 4767 1 204 . 1 1 53 53 PRO CB C 13 31.7 0.5 . 1 . . . . . . . . 4767 1 205 . 1 1 53 53 PRO C C 13 175.9 0.5 . 1 . . . . . . . . 4767 1 206 . 1 1 54 54 ASP HA H 1 4.79 0.05 . 1 . . . . . . . . 4767 1 207 . 1 1 54 54 ASP CA C 13 52.8 0.5 . 1 . . . . . . . . 4767 1 208 . 1 1 54 54 ASP CB C 13 40.6 0.5 . 1 . . . . . . . . 4767 1 209 . 1 1 54 54 ASP C C 13 175.6 0.5 . 1 . . . . . . . . 4767 1 210 . 1 1 55 55 SER HA H 1 4.60 0.05 . 1 . . . . . . . . 4767 1 211 . 1 1 55 55 SER CA C 13 56.7 0.5 . 1 . . . . . . . . 4767 1 212 . 1 1 55 55 SER CB C 13 62.8 0.5 . 1 . . . . . . . . 4767 1 213 . 1 1 56 56 PRO HA H 1 4.27 0.05 . 1 . . . . . . . . 4767 1 214 . 1 1 56 56 PRO CA C 13 65.5 0.5 . 1 . . . . . . . . 4767 1 215 . 1 1 56 56 PRO CB C 13 31.6 0.5 . 1 . . . . . . . . 4767 1 216 . 1 1 56 56 PRO C C 13 179.5 0.5 . 1 . . . . . . . . 4767 1 217 . 1 1 57 57 GLU HA H 1 4.23 0.05 . 1 . . . . . . . . 4767 1 218 . 1 1 57 57 GLU CA C 13 60.1 0.5 . 1 . . . . . . . . 4767 1 219 . 1 1 57 57 GLU CB C 13 29.4 0.5 . 1 . . . . . . . . 4767 1 220 . 1 1 57 57 GLU C C 13 179.9 0.5 . 1 . . . . . . . . 4767 1 221 . 1 1 58 58 MET HA H 1 4.27 0.05 . 1 . . . . . . . . 4767 1 222 . 1 1 58 58 MET CA C 13 56.2 0.5 . 1 . . . . . . . . 4767 1 223 . 1 1 58 58 MET CB C 13 30.3 0.5 . 1 . . . . . . . . 4767 1 224 . 1 1 58 58 MET C C 13 179.4 0.5 . 1 . . . . . . . . 4767 1 225 . 1 1 59 59 LYS HA H 1 4.12 0.05 . 1 . . . . . . . . 4767 1 226 . 1 1 59 59 LYS CA C 13 60.5 0.5 . 1 . . . . . . . . 4767 1 227 . 1 1 59 59 LYS CB C 13 32.0 0.5 . 1 . . . . . . . . 4767 1 228 . 1 1 59 59 LYS C C 13 180.3 0.5 . 1 . . . . . . . . 4767 1 229 . 1 1 60 60 ASP HA H 1 4.65 0.05 . 1 . . . . . . . . 4767 1 230 . 1 1 60 60 ASP CA C 13 57.5 0.5 . 1 . . . . . . . . 4767 1 231 . 1 1 60 60 ASP CB C 13 41.0 0.5 . 1 . . . . . . . . 4767 1 232 . 1 1 60 60 ASP C C 13 178.3 0.5 . 1 . . . . . . . . 4767 1 233 . 1 1 61 61 PHE HA H 1 4.44 0.05 . 1 . . . . . . . . 4767 1 234 . 1 1 61 61 PHE CA C 13 61.5 0.5 . 1 . . . . . . . . 4767 1 235 . 1 1 61 61 PHE CB C 13 39.0 0.5 . 1 . . . . . . . . 4767 1 236 . 1 1 61 61 PHE C C 13 178.5 0.5 . 1 . . . . . . . . 4767 1 237 . 1 1 62 62 ARG HA H 1 4.06 0.05 . 1 . . . . . . . . 4767 1 238 . 1 1 62 62 ARG CA C 13 61.1 0.5 . 1 . . . . . . . . 4767 1 239 . 1 1 62 62 ARG CB C 13 30.4 0.5 . 1 . . . . . . . . 4767 1 240 . 1 1 62 62 ARG C C 13 176.8 0.5 . 1 . . . . . . . . 4767 1 241 . 1 1 63 63 HIS HA H 1 4.72 0.05 . 1 . . . . . . . . 4767 1 242 . 1 1 63 63 HIS CA C 13 58.4 0.5 . 1 . . . . . . . . 4767 1 243 . 1 1 63 63 HIS CB C 13 28.0 0.5 . 1 . . . . . . . . 4767 1 244 . 1 1 63 63 HIS C C 13 177.2 0.5 . 1 . . . . . . . . 4767 1 245 . 1 1 64 64 GLY HA2 H 1 3.62 0.05 . 2 . . . . . . . . 4767 1 246 . 1 1 64 64 GLY HA3 H 1 3.29 0.05 . 2 . . . . . . . . 4767 1 247 . 1 1 64 64 GLY CA C 13 47.0 0.5 . 1 . . . . . . . . 4767 1 248 . 1 1 64 64 GLY C C 13 176.7 0.5 . 1 . . . . . . . . 4767 1 249 . 1 1 65 65 PHE HA H 1 4.21 0.05 . 1 . . . . . . . . 4767 1 250 . 1 1 65 65 PHE CA C 13 62.4 0.5 . 1 . . . . . . . . 4767 1 251 . 1 1 65 65 PHE CB C 13 39.2 0.5 . 1 . . . . . . . . 4767 1 252 . 1 1 65 65 PHE C C 13 176.9 0.5 . 1 . . . . . . . . 4767 1 253 . 1 1 66 66 ASP HA H 1 4.51 0.05 . 1 . . . . . . . . 4767 1 254 . 1 1 66 66 ASP CA C 13 57.9 0.5 . 1 . . . . . . . . 4767 1 255 . 1 1 66 66 ASP CB C 13 39.8 0.5 . 1 . . . . . . . . 4767 1 256 . 1 1 66 66 ASP C C 13 179.9 0.5 . 1 . . . . . . . . 4767 1 257 . 1 1 67 67 ILE HA H 1 3.70 0.05 . 1 . . . . . . . . 4767 1 258 . 1 1 67 67 ILE CA C 13 63.5 0.5 . 1 . . . . . . . . 4767 1 259 . 1 1 67 67 ILE CB C 13 36.7 0.5 . 1 . . . . . . . . 4767 1 260 . 1 1 67 67 ILE C C 13 179 0.5 . 1 . . . . . . . . 4767 1 261 . 1 1 68 68 LEU HA H 1 4.27 0.05 . 1 . . . . . . . . 4767 1 262 . 1 1 68 68 LEU CA C 13 58.4 0.5 . 1 . . . . . . . . 4767 1 263 . 1 1 68 68 LEU CB C 13 42.4 0.5 . 1 . . . . . . . . 4767 1 264 . 1 1 68 68 LEU C C 13 178.6 0.5 . 1 . . . . . . . . 4767 1 265 . 1 1 69 69 VAL HA H 1 3.49 0.05 . 1 . . . . . . . . 4767 1 266 . 1 1 69 69 VAL CA C 13 68.0 0.5 . 1 . . . . . . . . 4767 1 267 . 1 1 69 69 VAL CB C 13 31.4 0.5 . 1 . . . . . . . . 4767 1 268 . 1 1 69 69 VAL C C 13 177.4 0.5 . 1 . . . . . . . . 4767 1 269 . 1 1 70 70 GLY HA2 H 1 3.99 0.05 . 1 . . . . . . . . 4767 1 270 . 1 1 70 70 GLY HA3 H 1 3.99 0.05 . 1 . . . . . . . . 4767 1 271 . 1 1 70 70 GLY CA C 13 47.8 0.5 . 1 . . . . . . . . 4767 1 272 . 1 1 70 70 GLY C C 13 176.5 0.5 . 1 . . . . . . . . 4767 1 273 . 1 1 71 71 GLN HA H 1 4.24 0.05 . 1 . . . . . . . . 4767 1 274 . 1 1 71 71 GLN CA C 13 59.2 0.5 . 1 . . . . . . . . 4767 1 275 . 1 1 71 71 GLN CB C 13 29.1 0.5 . 1 . . . . . . . . 4767 1 276 . 1 1 71 71 GLN C C 13 180.4 0.5 . 1 . . . . . . . . 4767 1 277 . 1 1 72 72 ILE HA H 1 3.57 0.05 . 1 . . . . . . . . 4767 1 278 . 1 1 72 72 ILE CA C 13 65.7 0.5 . 1 . . . . . . . . 4767 1 279 . 1 1 72 72 ILE CB C 13 37.9 0.5 . 1 . . . . . . . . 4767 1 280 . 1 1 72 72 ILE C C 13 177.5 0.5 . 1 . . . . . . . . 4767 1 281 . 1 1 73 73 ASP HA H 1 4.66 0.05 . 1 . . . . . . . . 4767 1 282 . 1 1 73 73 ASP CA C 13 59.9 0.5 . 1 . . . . . . . . 4767 1 283 . 1 1 73 73 ASP CB C 13 39.2 0.5 . 1 . . . . . . . . 4767 1 284 . 1 1 73 73 ASP C C 13 179.0 0.5 . 1 . . . . . . . . 4767 1 285 . 1 1 74 74 ASP HA H 1 4.54 0.05 . 1 . . . . . . . . 4767 1 286 . 1 1 74 74 ASP CA C 13 57.6 0.5 . 1 . . . . . . . . 4767 1 287 . 1 1 74 74 ASP CB C 13 39.9 0.5 . 1 . . . . . . . . 4767 1 288 . 1 1 74 74 ASP C C 13 178.8 0.5 . 1 . . . . . . . . 4767 1 289 . 1 1 75 75 ALA HA H 1 4.14 0.05 . 1 . . . . . . . . 4767 1 290 . 1 1 75 75 ALA CA C 13 55.2 0.5 . 1 . . . . . . . . 4767 1 291 . 1 1 75 75 ALA CB C 13 17.8 0.5 . 1 . . . . . . . . 4767 1 292 . 1 1 75 75 ALA C C 13 179.1 0.5 . 1 . . . . . . . . 4767 1 293 . 1 1 76 76 LEU HA H 1 3.89 0.05 . 1 . . . . . . . . 4767 1 294 . 1 1 76 76 LEU CA C 13 57.7 0.5 . 1 . . . . . . . . 4767 1 295 . 1 1 76 76 LEU CB C 13 42.1 0.5 . 1 . . . . . . . . 4767 1 296 . 1 1 76 76 LEU C C 13 178.6 0.5 . 1 . . . . . . . . 4767 1 297 . 1 1 77 77 LYS HA H 1 4.10 0.05 . 1 . . . . . . . . 4767 1 298 . 1 1 77 77 LYS CA C 13 60.0 0.5 . 1 . . . . . . . . 4767 1 299 . 1 1 77 77 LYS CB C 13 32.1 0.5 . 1 . . . . . . . . 4767 1 300 . 1 1 77 77 LYS C C 13 179.2 0.5 . 1 . . . . . . . . 4767 1 301 . 1 1 78 78 LEU HA H 1 4.16 0.05 . 1 . . . . . . . . 4767 1 302 . 1 1 78 78 LEU CA C 13 58.0 0.5 . 1 . . . . . . . . 4767 1 303 . 1 1 78 78 LEU CB C 13 41.5 0.5 . 1 . . . . . . . . 4767 1 304 . 1 1 78 78 LEU C C 13 179.4 0.5 . 1 . . . . . . . . 4767 1 305 . 1 1 79 79 ALA HA H 1 3.74 0.05 . 1 . . . . . . . . 4767 1 306 . 1 1 79 79 ALA CA C 13 55.6 0.5 . 1 . . . . . . . . 4767 1 307 . 1 1 79 79 ALA CB C 13 17.1 0.5 . 1 . . . . . . . . 4767 1 308 . 1 1 79 79 ALA C C 13 180.9 0.5 . 1 . . . . . . . . 4767 1 309 . 1 1 80 80 ASN HA H 1 4.53 0.05 . 1 . . . . . . . . 4767 1 310 . 1 1 80 80 ASN CA C 13 55.8 0.5 . 1 . . . . . . . . 4767 1 311 . 1 1 80 80 ASN CB C 13 38.2 0.5 . 1 . . . . . . . . 4767 1 312 . 1 1 80 80 ASN C C 13 177.0 0.5 . 1 . . . . . . . . 4767 1 313 . 1 1 81 81 GLU HA H 1 4.49 0.05 . 1 . . . . . . . . 4767 1 314 . 1 1 81 81 GLU CA C 13 56.3 0.5 . 1 . . . . . . . . 4767 1 315 . 1 1 81 81 GLU CB C 13 29.7 0.5 . 1 . . . . . . . . 4767 1 316 . 1 1 81 81 GLU C C 13 176.4 0.5 . 1 . . . . . . . . 4767 1 317 . 1 1 82 82 GLY HA2 H 1 4.35 0.05 . 2 . . . . . . . . 4767 1 318 . 1 1 82 82 GLY HA3 H 1 3.61 0.05 . 2 . . . . . . . . 4767 1 319 . 1 1 82 82 GLY CA C 13 45.4 0.5 . 1 . . . . . . . . 4767 1 320 . 1 1 82 82 GLY C C 13 174.7 0.5 . 1 . . . . . . . . 4767 1 321 . 1 1 83 83 LYS HA H 1 4.56 0.05 . 1 . . . . . . . . 4767 1 322 . 1 1 83 83 LYS CA C 13 54.5 0.5 . 1 . . . . . . . . 4767 1 323 . 1 1 83 83 LYS CB C 13 30.4 0.5 . 1 . . . . . . . . 4767 1 324 . 1 1 83 83 LYS C C 13 175.8 0.5 . 1 . . . . . . . . 4767 1 325 . 1 1 84 84 VAL HA H 1 3.29 0.05 . 1 . . . . . . . . 4767 1 326 . 1 1 84 84 VAL CA C 13 67.7 0.5 . 1 . . . . . . . . 4767 1 327 . 1 1 84 84 VAL CB C 13 31.7 0.5 . 1 . . . . . . . . 4767 1 328 . 1 1 84 84 VAL C C 13 176.0 0.5 . 1 . . . . . . . . 4767 1 329 . 1 1 85 85 LYS HA H 1 4.52 0.05 . 1 . . . . . . . . 4767 1 330 . 1 1 85 85 LYS CA C 13 58.9 0.5 . 1 . . . . . . . . 4767 1 331 . 1 1 85 85 LYS CB C 13 31.2 0.5 . 1 . . . . . . . . 4767 1 332 . 1 1 85 85 LYS C C 13 180.7 0.5 . 1 . . . . . . . . 4767 1 333 . 1 1 86 86 GLU HA H 1 4.11 0.05 . 1 . . . . . . . . 4767 1 334 . 1 1 86 86 GLU CA C 13 60.3 0.5 . 1 . . . . . . . . 4767 1 335 . 1 1 86 86 GLU CB C 13 28.5 0.5 . 1 . . . . . . . . 4767 1 336 . 1 1 86 86 GLU C C 13 179.8 0.5 . 1 . . . . . . . . 4767 1 337 . 1 1 87 87 ALA HA H 1 4.13 0.05 . 1 . . . . . . . . 4767 1 338 . 1 1 87 87 ALA CA C 13 55.4 0.5 . 1 . . . . . . . . 4767 1 339 . 1 1 87 87 ALA CB C 13 18.4 0.5 . 1 . . . . . . . . 4767 1 340 . 1 1 87 87 ALA C C 13 179.4 0.5 . 1 . . . . . . . . 4767 1 341 . 1 1 88 88 GLN HA H 1 3.79 0.05 . 1 . . . . . . . . 4767 1 342 . 1 1 88 88 GLN CA C 13 57.8 0.5 . 1 . . . . . . . . 4767 1 343 . 1 1 88 88 GLN CB C 13 28.7 0.5 . 1 . . . . . . . . 4767 1 344 . 1 1 88 88 GLN C C 13 179.1 0.5 . 1 . . . . . . . . 4767 1 345 . 1 1 89 89 ALA HA H 1 4.24 0.05 . 1 . . . . . . . . 4767 1 346 . 1 1 89 89 ALA CA C 13 55.5 0.5 . 1 . . . . . . . . 4767 1 347 . 1 1 89 89 ALA CB C 13 17.5 0.5 . 1 . . . . . . . . 4767 1 348 . 1 1 89 89 ALA C C 13 180.8 0.5 . 1 . . . . . . . . 4767 1 349 . 1 1 90 90 ALA HA H 1 4.21 0.05 . 1 . . . . . . . . 4767 1 350 . 1 1 90 90 ALA CA C 13 54.9 0.5 . 1 . . . . . . . . 4767 1 351 . 1 1 90 90 ALA CB C 13 17.5 0.5 . 1 . . . . . . . . 4767 1 352 . 1 1 90 90 ALA C C 13 181.0 0.5 . 1 . . . . . . . . 4767 1 353 . 1 1 91 91 ALA HA H 1 4.01 0.05 . 1 . . . . . . . . 4767 1 354 . 1 1 91 91 ALA CA C 13 54.4 0.5 . 1 . . . . . . . . 4767 1 355 . 1 1 91 91 ALA CB C 13 18.0 0.5 . 1 . . . . . . . . 4767 1 356 . 1 1 91 91 ALA C C 13 178.4 0.5 . 1 . . . . . . . . 4767 1 357 . 1 1 92 92 GLU HA H 1 4.15 0.05 . 1 . . . . . . . . 4767 1 358 . 1 1 92 92 GLU CA C 13 58.3 0.5 . 1 . . . . . . . . 4767 1 359 . 1 1 92 92 GLU CB C 13 28.6 0.5 . 1 . . . . . . . . 4767 1 360 . 1 1 92 92 GLU C C 13 179.2 0.5 . 1 . . . . . . . . 4767 1 361 . 1 1 93 93 GLN HA H 1 4.26 0.05 . 1 . . . . . . . . 4767 1 362 . 1 1 93 93 GLN CA C 13 57.1 0.5 . 1 . . . . . . . . 4767 1 363 . 1 1 93 93 GLN CB C 13 28.3 0.5 . 1 . . . . . . . . 4767 1 364 . 1 1 93 93 GLN C C 13 177.7 0.5 . 1 . . . . . . . . 4767 1 365 . 1 1 94 94 LEU HA H 1 4.17 0.05 . 1 . . . . . . . . 4767 1 366 . 1 1 94 94 LEU CA C 13 56.9 0.5 . 1 . . . . . . . . 4767 1 367 . 1 1 94 94 LEU CB C 13 41.2 0.5 . 1 . . . . . . . . 4767 1 368 . 1 1 95 95 LYS HA H 1 4.01 0.05 . 1 . . . . . . . . 4767 1 369 . 1 1 95 95 LYS CA C 13 58.8 0.5 . 1 . . . . . . . . 4767 1 370 . 1 1 95 95 LYS CB C 13 32.5 0.5 . 1 . . . . . . . . 4767 1 371 . 1 1 95 95 LYS C C 13 177.9 0.5 . 1 . . . . . . . . 4767 1 372 . 1 1 96 96 THR HA H 1 4.23 0.05 . 1 . . . . . . . . 4767 1 373 . 1 1 96 96 THR CA C 13 63.4 0.5 . 1 . . . . . . . . 4767 1 374 . 1 1 96 96 THR CB C 13 68.8 0.5 . 1 . . . . . . . . 4767 1 375 . 1 1 97 97 THR HA H 1 4.13 0.05 . 1 . . . . . . . . 4767 1 376 . 1 1 97 97 THR CA C 13 63.8 0.5 . 1 . . . . . . . . 4767 1 377 . 1 1 97 97 THR CB C 13 68.8 0.5 . 1 . . . . . . . . 4767 1 378 . 1 1 97 97 THR C C 13 175.3 0.5 . 1 . . . . . . . . 4767 1 379 . 1 1 98 98 ARG HA H 1 4.13 0.05 . 1 . . . . . . . . 4767 1 380 . 1 1 98 98 ARG CA C 13 58.0 0.5 . 1 . . . . . . . . 4767 1 381 . 1 1 98 98 ARG CB C 13 29.7 0.5 . 1 . . . . . . . . 4767 1 382 . 1 1 98 98 ARG C C 13 177.6 0.5 . 1 . . . . . . . . 4767 1 383 . 1 1 99 99 ASN HA H 1 4.59 0.05 . 1 . . . . . . . . 4767 1 384 . 1 1 99 99 ASN CA C 13 54.7 0.5 . 1 . . . . . . . . 4767 1 385 . 1 1 99 99 ASN CB C 13 38.2 0.5 . 1 . . . . . . . . 4767 1 386 . 1 1 99 99 ASN C C 13 176.5 0.5 . 1 . . . . . . . . 4767 1 387 . 1 1 100 100 ALA HA H 1 4.15 0.05 . 1 . . . . . . . . 4767 1 388 . 1 1 100 100 ALA CA C 13 54.2 0.5 . 1 . . . . . . . . 4767 1 389 . 1 1 100 100 ALA CB C 13 18.0 0.5 . 1 . . . . . . . . 4767 1 390 . 1 1 100 100 ALA C C 13 179.2 0.5 . 1 . . . . . . . . 4767 1 391 . 1 1 101 101 TYR HA H 1 4.40 0.05 . 1 . . . . . . . . 4767 1 392 . 1 1 101 101 TYR CA C 13 59.9 0.5 . 1 . . . . . . . . 4767 1 393 . 1 1 101 101 TYR CB C 13 38.1 0.5 . 1 . . . . . . . . 4767 1 394 . 1 1 101 101 TYR C C 13 176.6 0.5 . 1 . . . . . . . . 4767 1 395 . 1 1 102 102 HIS HA H 1 4.57 0.05 . 1 . . . . . . . . 4767 1 396 . 1 1 102 102 HIS CA C 13 56.7 0.5 . 1 . . . . . . . . 4767 1 397 . 1 1 102 102 HIS CB C 13 29.3 0.5 . 1 . . . . . . . . 4767 1 398 . 1 1 102 102 HIS C C 13 175.5 0.5 . 1 . . . . . . . . 4767 1 399 . 1 1 103 103 GLN HA H 1 4.15 0.05 . 1 . . . . . . . . 4767 1 400 . 1 1 103 103 GLN CA C 13 56.9 0.5 . 1 . . . . . . . . 4767 1 401 . 1 1 103 103 GLN CB C 13 28.1 0.5 . 1 . . . . . . . . 4767 1 402 . 1 1 103 103 GLN C C 13 176.4 0.5 . 1 . . . . . . . . 4767 1 403 . 1 1 104 104 LYS HA H 1 4.09 0.05 . 1 . . . . . . . . 4767 1 404 . 1 1 104 104 LYS CA C 13 57.0 0.5 . 1 . . . . . . . . 4767 1 405 . 1 1 104 104 LYS CB C 13 40.8 0.5 . 1 . . . . . . . . 4767 1 406 . 1 1 104 104 LYS C C 13 176.8 0.5 . 1 . . . . . . . . 4767 1 407 . 1 1 105 105 TYR HA H 1 4.70 0.05 . 1 . . . . . . . . 4767 1 408 . 1 1 105 105 TYR C C 13 174.3 0.5 . 1 . . . . . . . . 4767 1 409 . 1 1 106 106 ARG HA H 1 4.17 0.05 . 1 . . . . . . . . 4767 1 410 . 1 1 106 106 ARG CA C 13 57.3 0.5 . 1 . . . . . . . . 4767 1 411 . 1 1 106 106 ARG CB C 13 30.9 0.5 . 1 . . . . . . . . 4767 1 stop_ save_