################################### # 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_13Ca_and_1H_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 13Ca_and_1H_shifts _Assigned_chem_shift_list.Entry_ID 4820 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Exp-cond _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 $H2O_sample . 4820 1 . . 2 $D2O_sample . 4820 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 ASP CA C 13 52.9 . . 1 . . . . . . . . 4820 1 2 . 1 1 1 1 ASP HA H 1 4.30 . . 1 . . . . . . . . 4820 1 3 . 1 1 1 1 ASP HB2 H 1 3.21 . . 1 . . . . . . . . 4820 1 4 . 1 1 1 1 ASP HB3 H 1 2.94 . . 1 . . . . . . . . 4820 1 5 . 1 1 2 2 ILE H H 1 8.76 . . 1 . . . . . . . . 4820 1 6 . 1 1 2 2 ILE CA C 13 62.0 . . 1 . . . . . . . . 4820 1 7 . 1 1 2 2 ILE HA H 1 4.12 . . 1 . . . . . . . . 4820 1 8 . 1 1 2 2 ILE HB H 1 1.92 . . 1 . . . . . . . . 4820 1 9 . 1 1 2 2 ILE HG21 H 1 0.89 . . 1 . . . . . . . . 4820 1 10 . 1 1 2 2 ILE HG22 H 1 0.89 . . 1 . . . . . . . . 4820 1 11 . 1 1 2 2 ILE HG23 H 1 0.89 . . 1 . . . . . . . . 4820 1 12 . 1 1 2 2 ILE HG12 H 1 1.49 . . 2 . . . . . . . . 4820 1 13 . 1 1 2 2 ILE HG13 H 1 1.40 . . 2 . . . . . . . . 4820 1 14 . 1 1 2 2 ILE HD11 H 1 0.95 . . 1 . . . . . . . . 4820 1 15 . 1 1 2 2 ILE HD12 H 1 0.95 . . 1 . . . . . . . . 4820 1 16 . 1 1 2 2 ILE HD13 H 1 0.95 . . 1 . . . . . . . . 4820 1 17 . 1 1 3 3 CYS H H 1 8.06 . . 1 . . . . . . . . 4820 1 18 . 1 1 3 3 CYS CA C 13 59.2 . . 1 . . . . . . . . 4820 1 19 . 1 1 3 3 CYS HA H 1 4.18 . . 1 . . . . . . . . 4820 1 20 . 1 1 3 3 CYS HB2 H 1 3.19 . . 2 . . . . . . . . 4820 1 21 . 1 1 3 3 CYS HB3 H 1 3.50 . . 2 . . . . . . . . 4820 1 22 . 1 1 4 4 ASP H H 1 7.54 . . 1 . . . . . . . . 4820 1 23 . 1 1 4 4 ASP CA C 13 57.0 . . 1 . . . . . . . . 4820 1 24 . 1 1 4 4 ASP HA H 1 4.28 . . 1 . . . . . . . . 4820 1 25 . 1 1 4 4 ASP HB2 H 1 2.67 . . 1 . . . . . . . . 4820 1 26 . 1 1 4 4 ASP HB3 H 1 2.79 . . 1 . . . . . . . . 4820 1 27 . 1 1 5 5 ILE H H 1 7.68 . . 1 . . . . . . . . 4820 1 28 . 1 1 5 5 ILE CA C 13 64.0 . . 1 . . . . . . . . 4820 1 29 . 1 1 5 5 ILE HA H 1 3.72 . . 1 . . . . . . . . 4820 1 30 . 1 1 5 5 ILE HB H 1 1.90 . . 1 . . . . . . . . 4820 1 31 . 1 1 5 5 ILE HG21 H 1 0.85 . . 1 . . . . . . . . 4820 1 32 . 1 1 5 5 ILE HG22 H 1 0.85 . . 1 . . . . . . . . 4820 1 33 . 1 1 5 5 ILE HG23 H 1 0.85 . . 1 . . . . . . . . 4820 1 34 . 1 1 5 5 ILE HG12 H 1 1.17 . . 1 . . . . . . . . 4820 1 35 . 1 1 5 5 ILE HG13 H 1 1.66 . . 1 . . . . . . . . 4820 1 36 . 1 1 5 5 ILE HD11 H 1 0.79 . . 1 . . . . . . . . 4820 1 37 . 1 1 5 5 ILE HD12 H 1 0.79 . . 1 . . . . . . . . 4820 1 38 . 1 1 5 5 ILE HD13 H 1 0.79 . . 1 . . . . . . . . 4820 1 39 . 1 1 6 6 ALA H H 1 8.37 . . 1 . . . . . . . . 4820 1 40 . 1 1 6 6 ALA CA C 13 55.7 . . 1 . . . . . . . . 4820 1 41 . 1 1 6 6 ALA HA H 1 3.81 . . 1 . . . . . . . . 4820 1 42 . 1 1 6 6 ALA HB1 H 1 1.49 . . 1 . . . . . . . . 4820 1 43 . 1 1 6 6 ALA HB2 H 1 1.49 . . 1 . . . . . . . . 4820 1 44 . 1 1 6 6 ALA HB3 H 1 1.49 . . 1 . . . . . . . . 4820 1 45 . 1 1 7 7 ILE H H 1 7.43 . . 1 . . . . . . . . 4820 1 46 . 1 1 7 7 ILE CA C 13 64.8 . . 1 . . . . . . . . 4820 1 47 . 1 1 7 7 ILE HA H 1 3.59 . . 1 . . . . . . . . 4820 1 48 . 1 1 7 7 ILE HB H 1 1.71 . . 1 . . . . . . . . 4820 1 49 . 1 1 7 7 ILE HG21 H 1 0.81 . . 1 . . . . . . . . 4820 1 50 . 1 1 7 7 ILE HG22 H 1 0.81 . . 1 . . . . . . . . 4820 1 51 . 1 1 7 7 ILE HG23 H 1 0.81 . . 1 . . . . . . . . 4820 1 52 . 1 1 7 7 ILE HG12 H 1 0.92 . . 2 . . . . . . . . 4820 1 53 . 1 1 7 7 ILE HG13 H 1 2.03 . . 2 . . . . . . . . 4820 1 54 . 1 1 7 7 ILE HD11 H 1 0.84 . . 1 . . . . . . . . 4820 1 55 . 1 1 7 7 ILE HD12 H 1 0.84 . . 1 . . . . . . . . 4820 1 56 . 1 1 7 7 ILE HD13 H 1 0.84 . . 1 . . . . . . . . 4820 1 57 . 1 1 8 8 ALA H H 1 7.95 . . 1 . . . . . . . . 4820 1 58 . 1 1 8 8 ALA CA C 13 54.6 . . 1 . . . . . . . . 4820 1 59 . 1 1 8 8 ALA HA H 1 4.09 . . 1 . . . . . . . . 4820 1 60 . 1 1 8 8 ALA HB1 H 1 1.51 . . 1 . . . . . . . . 4820 1 61 . 1 1 8 8 ALA HB2 H 1 1.51 . . 1 . . . . . . . . 4820 1 62 . 1 1 8 8 ALA HB3 H 1 1.51 . . 1 . . . . . . . . 4820 1 63 . 1 1 9 9 GLN H H 1 8.22 . . 1 . . . . . . . . 4820 1 64 . 1 1 9 9 GLN CA C 13 54.8 . . 1 . . . . . . . . 4820 1 65 . 1 1 9 9 GLN HA H 1 4.27 . . 1 . . . . . . . . 4820 1 66 . 1 1 9 9 GLN HB2 H 1 1.83 . . 1 . . . . . . . . 4820 1 67 . 1 1 9 9 GLN HB3 H 1 2.33 . . 1 . . . . . . . . 4820 1 68 . 1 1 9 9 GLN HG2 H 1 2.38 . . 2 . . . . . . . . 4820 1 69 . 1 1 9 9 GLN HG3 H 1 2.48 . . 2 . . . . . . . . 4820 1 70 . 1 1 9 9 GLN HE21 H 1 6.68 . . 2 . . . . . . . . 4820 1 71 . 1 1 9 9 GLN HE22 H 1 7.18 . . 2 . . . . . . . . 4820 1 72 . 1 1 10 10 CYS H H 1 8.21 . . 1 . . . . . . . . 4820 1 73 . 1 1 10 10 CYS CA C 13 55.2 . . 1 . . . . . . . . 4820 1 74 . 1 1 10 10 CYS HA H 1 4.30 . . 1 . . . . . . . . 4820 1 75 . 1 1 10 10 CYS HB2 H 1 3.24 . . 1 . . . . . . . . 4820 1 76 . 1 1 10 10 CYS HB3 H 1 3.57 . . 1 . . . . . . . . 4820 1 77 . 1 1 11 11 SER H H 1 8.61 . . 1 . . . . . . . . 4820 1 78 . 1 1 11 11 SER CA C 13 55.0 . . 1 . . . . . . . . 4820 1 79 . 1 1 11 11 SER HA H 1 4.95 . . 1 . . . . . . . . 4820 1 80 . 1 1 11 11 SER HB2 H 1 3.57 . . 1 . . . . . . . . 4820 1 81 . 1 1 11 11 SER HB3 H 1 3.82 . . 1 . . . . . . . . 4820 1 82 . 1 1 12 12 LEU H H 1 8.74 . . 1 . . . . . . . . 4820 1 83 . 1 1 12 12 LEU CA C 13 57.4 . . 1 . . . . . . . . 4820 1 84 . 1 1 12 12 LEU HA H 1 3.84 . . 1 . . . . . . . . 4820 1 85 . 1 1 12 12 LEU HB2 H 1 1.80 . . 2 . . . . . . . . 4820 1 86 . 1 1 12 12 LEU HB3 H 1 1.48 . . 2 . . . . . . . . 4820 1 87 . 1 1 12 12 LEU HG H 1 1.61 . . 1 . . . . . . . . 4820 1 88 . 1 1 12 12 LEU HD11 H 1 0.81 . . 1 . . . . . . . . 4820 1 89 . 1 1 12 12 LEU HD12 H 1 0.81 . . 1 . . . . . . . . 4820 1 90 . 1 1 12 12 LEU HD13 H 1 0.81 . . 1 . . . . . . . . 4820 1 91 . 1 1 12 12 LEU HD21 H 1 0.62 . . 1 . . . . . . . . 4820 1 92 . 1 1 12 12 LEU HD22 H 1 0.62 . . 1 . . . . . . . . 4820 1 93 . 1 1 12 12 LEU HD23 H 1 0.62 . . 1 . . . . . . . . 4820 1 94 . 1 1 13 13 THR H H 1 8.81 . . 1 . . . . . . . . 4820 1 95 . 1 1 13 13 THR CA C 13 66.5 . . 1 . . . . . . . . 4820 1 96 . 1 1 13 13 THR HA H 1 3.87 . . 1 . . . . . . . . 4820 1 97 . 1 1 13 13 THR HB H 1 3.95 . . 1 . . . . . . . . 4820 1 98 . 1 1 13 13 THR HG21 H 1 1.17 . . 1 . . . . . . . . 4820 1 99 . 1 1 13 13 THR HG22 H 1 1.17 . . 1 . . . . . . . . 4820 1 100 . 1 1 13 13 THR HG23 H 1 1.17 . . 1 . . . . . . . . 4820 1 101 . 1 1 14 14 LEU H H 1 8.33 . . 1 . . . . . . . . 4820 1 102 . 1 1 14 14 LEU CA C 13 56.9 . . 1 . . . . . . . . 4820 1 103 . 1 1 14 14 LEU HA H 1 4.21 . . 1 . . . . . . . . 4820 1 104 . 1 1 14 14 LEU HB2 H 1 1.43 . . 2 . . . . . . . . 4820 1 105 . 1 1 14 14 LEU HB3 H 1 1.64 . . 2 . . . . . . . . 4820 1 106 . 1 1 14 14 LEU HG H 1 1.70 . . 1 . . . . . . . . 4820 1 107 . 1 1 14 14 LEU HD11 H 1 0.86 . . 2 . . . . . . . . 4820 1 108 . 1 1 14 14 LEU HD12 H 1 0.86 . . 2 . . . . . . . . 4820 1 109 . 1 1 14 14 LEU HD13 H 1 0.86 . . 2 . . . . . . . . 4820 1 110 . 1 1 14 14 LEU HD21 H 1 0.82 . . 2 . . . . . . . . 4820 1 111 . 1 1 14 14 LEU HD22 H 1 0.82 . . 2 . . . . . . . . 4820 1 112 . 1 1 14 14 LEU HD23 H 1 0.82 . . 2 . . . . . . . . 4820 1 113 . 1 1 15 15 CYS H H 1 7.63 . . 1 . . . . . . . . 4820 1 114 . 1 1 15 15 CYS CA C 13 54.5 . . 1 . . . . . . . . 4820 1 115 . 1 1 15 15 CYS HA H 1 4.50 . . 1 . . . . . . . . 4820 1 116 . 1 1 15 15 CYS HB2 H 1 3.08 . . 2 . . . . . . . . 4820 1 117 . 1 1 15 15 CYS HB3 H 1 3.37 . . 2 . . . . . . . . 4820 1 118 . 1 1 16 16 GLN H H 1 7.85 . . 1 . . . . . . . . 4820 1 119 . 1 1 16 16 GLN CA C 13 57.6 . . 1 . . . . . . . . 4820 1 120 . 1 1 16 16 GLN HA H 1 4.03 . . 1 . . . . . . . . 4820 1 121 . 1 1 16 16 GLN HB2 H 1 2.27 . . 1 . . . . . . . . 4820 1 122 . 1 1 16 16 GLN HB3 H 1 2.11 . . 1 . . . . . . . . 4820 1 123 . 1 1 16 16 GLN HG2 H 1 2.66 . . 2 . . . . . . . . 4820 1 124 . 1 1 16 16 GLN HG3 H 1 2.53 . . 2 . . . . . . . . 4820 1 125 . 1 1 16 16 GLN HE21 H 1 7.54 . . 2 . . . . . . . . 4820 1 126 . 1 1 16 16 GLN HE22 H 1 7.09 . . 2 . . . . . . . . 4820 1 127 . 1 1 17 17 ASP H H 1 7.47 . . 1 . . . . . . . . 4820 1 128 . 1 1 17 17 ASP CA C 13 53.5 . . 1 . . . . . . . . 4820 1 129 . 1 1 17 17 ASP HA H 1 4.72 . . 1 . . . . . . . . 4820 1 130 . 1 1 17 17 ASP HB2 H 1 2.91 . . 2 . . . . . . . . 4820 1 131 . 1 1 17 17 ASP HB3 H 1 2.68 . . 2 . . . . . . . . 4820 1 132 . 1 1 18 18 CYS H H 1 7.15 . . 1 . . . . . . . . 4820 1 133 . 1 1 18 18 CYS CA C 13 54.4 . . 1 . . . . . . . . 4820 1 134 . 1 1 18 18 CYS HA H 1 4.50 . . 1 . . . . . . . . 4820 1 135 . 1 1 18 18 CYS HB2 H 1 2.90 . . 1 . . . . . . . . 4820 1 136 . 1 1 18 18 CYS HB3 H 1 3.36 . . 1 . . . . . . . . 4820 1 137 . 1 1 19 19 GLU H H 1 8.23 . . 1 . . . . . . . . 4820 1 138 . 1 1 19 19 GLU CA C 13 58.9 . . 1 . . . . . . . . 4820 1 139 . 1 1 19 19 GLU HA H 1 4.09 . . 1 . . . . . . . . 4820 1 140 . 1 1 19 19 GLU HB2 H 1 2.15 . . 2 . . . . . . . . 4820 1 141 . 1 1 19 19 GLU HB3 H 1 2.09 . . 2 . . . . . . . . 4820 1 142 . 1 1 19 19 GLU HG2 H 1 2.38 . . 1 . . . . . . . . 4820 1 143 . 1 1 19 19 GLU HG3 H 1 2.38 . . 1 . . . . . . . . 4820 1 144 . 1 1 20 20 ASN H H 1 7.53 . . 1 . . . . . . . . 4820 1 145 . 1 1 20 20 ASN CA C 13 50.5 . . 1 . . . . . . . . 4820 1 146 . 1 1 20 20 ASN HA H 1 5.10 . . 1 . . . . . . . . 4820 1 147 . 1 1 20 20 ASN HB2 H 1 2.53 . . 2 . . . . . . . . 4820 1 148 . 1 1 20 20 ASN HB3 H 1 3.02 . . 2 . . . . . . . . 4820 1 149 . 1 1 20 20 ASN HD21 H 1 7.68 . . 2 . . . . . . . . 4820 1 150 . 1 1 20 20 ASN HD22 H 1 6.78 . . 2 . . . . . . . . 4820 1 151 . 1 1 21 21 THR H H 1 8.37 . . 1 . . . . . . . . 4820 1 152 . 1 1 21 21 THR CA C 13 69.1 . . 1 . . . . . . . . 4820 1 153 . 1 1 21 21 THR HA H 1 3.78 . . 1 . . . . . . . . 4820 1 154 . 1 1 21 21 THR HB H 1 4.14 . . 1 . . . . . . . . 4820 1 155 . 1 1 21 21 THR HG21 H 1 1.08 . . 1 . . . . . . . . 4820 1 156 . 1 1 21 21 THR HG22 H 1 1.08 . . 1 . . . . . . . . 4820 1 157 . 1 1 21 21 THR HG23 H 1 1.08 . . 1 . . . . . . . . 4820 1 158 . 1 1 22 22 PRO CA C 13 66.3 . . 1 . . . . . . . . 4820 1 159 . 1 1 22 22 PRO HA H 1 4.31 . . 1 . . . . . . . . 4820 1 160 . 1 1 22 22 PRO HB2 H 1 1.81 . . 2 . . . . . . . . 4820 1 161 . 1 1 22 22 PRO HB3 H 1 2.32 . . 2 . . . . . . . . 4820 1 162 . 1 1 22 22 PRO HG2 H 1 2.10 . . 2 . . . . . . . . 4820 1 163 . 1 1 22 22 PRO HG3 H 1 1.95 . . 2 . . . . . . . . 4820 1 164 . 1 1 22 22 PRO HD2 H 1 3.76 . . 1 . . . . . . . . 4820 1 165 . 1 1 22 22 PRO HD3 H 1 3.94 . . 1 . . . . . . . . 4820 1 166 . 1 1 23 23 ILE H H 1 6.87 . . 1 . . . . . . . . 4820 1 167 . 1 1 23 23 ILE CA C 13 62.9 . . 1 . . . . . . . . 4820 1 168 . 1 1 23 23 ILE HA H 1 3.81 . . 1 . . . . . . . . 4820 1 169 . 1 1 23 23 ILE HB H 1 1.77 . . 1 . . . . . . . . 4820 1 170 . 1 1 23 23 ILE HG21 H 1 0.88 . . 1 . . . . . . . . 4820 1 171 . 1 1 23 23 ILE HG22 H 1 0.88 . . 1 . . . . . . . . 4820 1 172 . 1 1 23 23 ILE HG23 H 1 0.88 . . 1 . . . . . . . . 4820 1 173 . 1 1 23 23 ILE HG12 H 1 1.47 . . 2 . . . . . . . . 4820 1 174 . 1 1 23 23 ILE HG13 H 1 1.32 . . 2 . . . . . . . . 4820 1 175 . 1 1 23 23 ILE HD11 H 1 0.76 . . 1 . . . . . . . . 4820 1 176 . 1 1 23 23 ILE HD12 H 1 0.76 . . 1 . . . . . . . . 4820 1 177 . 1 1 23 23 ILE HD13 H 1 0.76 . . 1 . . . . . . . . 4820 1 178 . 1 1 24 24 CYS H H 1 7.58 . . 1 . . . . . . . . 4820 1 179 . 1 1 24 24 CYS CA C 13 59.7 . . 1 . . . . . . . . 4820 1 180 . 1 1 24 24 CYS HA H 1 4.13 . . 1 . . . . . . . . 4820 1 181 . 1 1 24 24 CYS HB2 H 1 3.22 . . 1 . . . . . . . . 4820 1 182 . 1 1 24 24 CYS HB3 H 1 3.51 . . 1 . . . . . . . . 4820 1 183 . 1 1 25 25 GLU H H 1 8.63 . . 1 . . . . . . . . 4820 1 184 . 1 1 25 25 GLU CA C 13 59.6 . . 1 . . . . . . . . 4820 1 185 . 1 1 25 25 GLU HA H 1 3.50 . . 1 . . . . . . . . 4820 1 186 . 1 1 25 25 GLU HB2 H 1 1.70 . . 1 . . . . . . . . 4820 1 187 . 1 1 25 25 GLU HB3 H 1 2.08 . . 1 . . . . . . . . 4820 1 188 . 1 1 25 25 GLU HG2 H 1 1.81 . . 2 . . . . . . . . 4820 1 189 . 1 1 25 25 GLU HG3 H 1 2.58 . . 2 . . . . . . . . 4820 1 190 . 1 1 26 26 LEU H H 1 7.58 . . 1 . . . . . . . . 4820 1 191 . 1 1 26 26 LEU CA C 13 57.5 . . 1 . . . . . . . . 4820 1 192 . 1 1 26 26 LEU HA H 1 3.82 . . 1 . . . . . . . . 4820 1 193 . 1 1 26 26 LEU HB2 H 1 1.74 . . 1 . . . . . . . . 4820 1 194 . 1 1 26 26 LEU HB3 H 1 1.52 . . 1 . . . . . . . . 4820 1 195 . 1 1 26 26 LEU HG H 1 1.72 . . 1 . . . . . . . . 4820 1 196 . 1 1 26 26 LEU HD11 H 1 0.84 . . 2 . . . . . . . . 4820 1 197 . 1 1 26 26 LEU HD12 H 1 0.84 . . 2 . . . . . . . . 4820 1 198 . 1 1 26 26 LEU HD13 H 1 0.84 . . 2 . . . . . . . . 4820 1 199 . 1 1 26 26 LEU HD21 H 1 0.81 . . 2 . . . . . . . . 4820 1 200 . 1 1 26 26 LEU HD22 H 1 0.81 . . 2 . . . . . . . . 4820 1 201 . 1 1 26 26 LEU HD23 H 1 0.81 . . 2 . . . . . . . . 4820 1 202 . 1 1 27 27 ALA H H 1 7.90 . . 1 . . . . . . . . 4820 1 203 . 1 1 27 27 ALA CA C 13 54.6 . . 1 . . . . . . . . 4820 1 204 . 1 1 27 27 ALA HA H 1 4.10 . . 1 . . . . . . . . 4820 1 205 . 1 1 27 27 ALA HB1 H 1 1.53 . . 1 . . . . . . . . 4820 1 206 . 1 1 27 27 ALA HB2 H 1 1.53 . . 1 . . . . . . . . 4820 1 207 . 1 1 27 27 ALA HB3 H 1 1.53 . . 1 . . . . . . . . 4820 1 208 . 1 1 28 28 VAL H H 1 8.36 . . 1 . . . . . . . . 4820 1 209 . 1 1 28 28 VAL CA C 13 66.9 . . 1 . . . . . . . . 4820 1 210 . 1 1 28 28 VAL HA H 1 3.51 . . 1 . . . . . . . . 4820 1 211 . 1 1 28 28 VAL HB H 1 1.87 . . 1 . . . . . . . . 4820 1 212 . 1 1 28 28 VAL HG11 H 1 0.93 . . 1 . . . . . . . . 4820 1 213 . 1 1 28 28 VAL HG12 H 1 0.93 . . 1 . . . . . . . . 4820 1 214 . 1 1 28 28 VAL HG13 H 1 0.93 . . 1 . . . . . . . . 4820 1 215 . 1 1 28 28 VAL HG21 H 1 0.46 . . 1 . . . . . . . . 4820 1 216 . 1 1 28 28 VAL HG22 H 1 0.46 . . 1 . . . . . . . . 4820 1 217 . 1 1 28 28 VAL HG23 H 1 0.46 . . 1 . . . . . . . . 4820 1 218 . 1 1 29 29 LYS H H 1 8.00 . . 1 . . . . . . . . 4820 1 219 . 1 1 29 29 LYS CA C 13 58.9 . . 1 . . . . . . . . 4820 1 220 . 1 1 29 29 LYS HA H 1 3.34 . . 1 . . . . . . . . 4820 1 221 . 1 1 29 29 LYS HB2 H 1 1.31 . . 2 . . . . . . . . 4820 1 222 . 1 1 29 29 LYS HB3 H 1 1.35 . . 2 . . . . . . . . 4820 1 223 . 1 1 29 29 LYS HG2 H 1 -0.69 . . 2 . . . . . . . . 4820 1 224 . 1 1 29 29 LYS HG3 H 1 0.93 . . 2 . . . . . . . . 4820 1 225 . 1 1 29 29 LYS HD2 H 1 1.18 . . 1 . . . . . . . . 4820 1 226 . 1 1 29 29 LYS HD3 H 1 1.18 . . 1 . . . . . . . . 4820 1 227 . 1 1 29 29 LYS HE2 H 1 2.40 . . 1 . . . . . . . . 4820 1 228 . 1 1 29 29 LYS HE3 H 1 2.40 . . 1 . . . . . . . . 4820 1 229 . 1 1 30 30 GLY H H 1 7.86 . . 1 . . . . . . . . 4820 1 230 . 1 1 30 30 GLY CA C 13 45.4 . . 1 . . . . . . . . 4820 1 231 . 1 1 30 30 GLY HA2 H 1 4.14 . . 1 . . . . . . . . 4820 1 232 . 1 1 30 30 GLY HA3 H 1 3.80 . . 1 . . . . . . . . 4820 1 233 . 1 1 31 31 SER H H 1 7.54 . . 1 . . . . . . . . 4820 1 234 . 1 1 31 31 SER CA C 13 57.8 . . 1 . . . . . . . . 4820 1 235 . 1 1 31 31 SER HA H 1 4.78 . . 1 . . . . . . . . 4820 1 236 . 1 1 31 31 SER HB2 H 1 3.92 . . 1 . . . . . . . . 4820 1 237 . 1 1 31 31 SER HB3 H 1 3.92 . . 1 . . . . . . . . 4820 1 238 . 1 1 32 32 CYS H H 1 8.28 . . 1 . . . . . . . . 4820 1 239 . 1 1 32 32 CYS CA C 13 54.8 . . 1 . . . . . . . . 4820 1 240 . 1 1 32 32 CYS HA H 1 5.33 . . 1 . . . . . . . . 4820 1 241 . 1 1 32 32 CYS HB2 H 1 3.81 . . 1 . . . . . . . . 4820 1 242 . 1 1 32 32 CYS HB3 H 1 3.37 . . 1 . . . . . . . . 4820 1 243 . 1 1 33 33 PRO CA C 13 60.8 . . 1 . . . . . . . . 4820 1 244 . 1 1 33 33 PRO HA H 1 4.90 . . 1 . . . . . . . . 4820 1 245 . 1 1 33 33 PRO HB2 H 1 2.29 . . 2 . . . . . . . . 4820 1 246 . 1 1 33 33 PRO HB3 H 1 1.94 . . 2 . . . . . . . . 4820 1 247 . 1 1 33 33 PRO HG2 H 1 2.20 . . 2 . . . . . . . . 4820 1 248 . 1 1 33 33 PRO HG3 H 1 2.13 . . 2 . . . . . . . . 4820 1 249 . 1 1 33 33 PRO HD2 H 1 3.98 . . 2 . . . . . . . . 4820 1 250 . 1 1 33 33 PRO HD3 H 1 3.96 . . 2 . . . . . . . . 4820 1 251 . 1 1 34 34 PRO CA C 13 60.6 . . 1 . . . . . . . . 4820 1 252 . 1 1 34 34 PRO HA H 1 2.86 . . 1 . . . . . . . . 4820 1 253 . 1 1 34 34 PRO HB2 H 1 0.45 . . 2 . . . . . . . . 4820 1 254 . 1 1 34 34 PRO HB3 H 1 1.21 . . 2 . . . . . . . . 4820 1 255 . 1 1 34 34 PRO HG2 H 1 1.68 . . 1 . . . . . . . . 4820 1 256 . 1 1 34 34 PRO HG3 H 1 1.68 . . 1 . . . . . . . . 4820 1 257 . 1 1 34 34 PRO HD2 H 1 3.71 . . 2 . . . . . . . . 4820 1 258 . 1 1 34 34 PRO HD3 H 1 3.66 . . 2 . . . . . . . . 4820 1 259 . 1 1 35 35 PRO CA C 13 61.3 . . 1 . . . . . . . . 4820 1 260 . 1 1 35 35 PRO HA H 1 3.89 . . 1 . . . . . . . . 4820 1 261 . 1 1 35 35 PRO HB2 H 1 2.00 . . 2 . . . . . . . . 4820 1 262 . 1 1 35 35 PRO HB3 H 1 2.18 . . 2 . . . . . . . . 4820 1 263 . 1 1 35 35 PRO HG2 H 1 1.81 . . 1 . . . . . . . . 4820 1 264 . 1 1 35 35 PRO HG3 H 1 1.81 . . 1 . . . . . . . . 4820 1 265 . 1 1 35 35 PRO HD2 H 1 3.49 . . 2 . . . . . . . . 4820 1 266 . 1 1 35 35 PRO HD3 H 1 3.30 . . 2 . . . . . . . . 4820 1 267 . 1 1 36 36 TRP H H 1 8.13 . . 1 . . . . . . . . 4820 1 268 . 1 1 36 36 TRP CA C 13 57.8 . . 1 . . . . . . . . 4820 1 269 . 1 1 36 36 TRP HA H 1 5.06 . . 1 . . . . . . . . 4820 1 270 . 1 1 36 36 TRP HB2 H 1 3.26 . . 1 . . . . . . . . 4820 1 271 . 1 1 36 36 TRP HB3 H 1 3.26 . . 1 . . . . . . . . 4820 1 272 . 1 1 36 36 TRP HD1 H 1 6.85 . . 1 . . . . . . . . 4820 1 273 . 1 1 36 36 TRP HE3 H 1 7.72 . . 1 . . . . . . . . 4820 1 274 . 1 1 36 36 TRP HE1 H 1 9.92 . . 1 . . . . . . . . 4820 1 275 . 1 1 36 36 TRP HZ3 H 1 7.16 . . 1 . . . . . . . . 4820 1 276 . 1 1 36 36 TRP HZ2 H 1 7.68 . . 1 . . . . . . . . 4820 1 277 . 1 1 36 36 TRP HH2 H 1 7.25 . . 1 . . . . . . . . 4820 1 278 . 1 1 37 37 SER H H 1 8.61 . . 1 . . . . . . . . 4820 1 279 . 1 1 37 37 SER CA C 13 59.8 . . 1 . . . . . . . . 4820 1 280 . 1 1 37 37 SER HA H 1 4.47 . . 1 . . . . . . . . 4820 1 281 . 1 1 37 37 SER HB2 H 1 4.00 . . 1 . . . . . . . . 4820 1 282 . 1 1 37 37 SER HB3 H 1 4.00 . . 1 . . . . . . . . 4820 1 stop_ save_