################################### # 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Entry_ID 3456 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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 $sample_one . 3456 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 4.12 . . 1 . . . . . . . . 3456 1 2 . 1 1 1 1 ALA HB1 H 1 1.46 . . 1 . . . . . . . . 3456 1 3 . 1 1 1 1 ALA HB2 H 1 1.46 . . 1 . . . . . . . . 3456 1 4 . 1 1 1 1 ALA HB3 H 1 1.46 . . 1 . . . . . . . . 3456 1 5 . 1 1 2 2 THR H H 1 8.48 . . 1 . . . . . . . . 3456 1 6 . 1 1 2 2 THR HA H 1 3.96 . . 1 . . . . . . . . 3456 1 7 . 1 1 2 2 THR HB H 1 3.96 . . 1 . . . . . . . . 3456 1 8 . 1 1 2 2 THR HG21 H 1 1.04 . . 1 . . . . . . . . 3456 1 9 . 1 1 2 2 THR HG22 H 1 1.04 . . 1 . . . . . . . . 3456 1 10 . 1 1 2 2 THR HG23 H 1 1.04 . . 1 . . . . . . . . 3456 1 11 . 1 1 3 3 CYS H H 1 8.35 . . 1 . . . . . . . . 3456 1 12 . 1 1 3 3 CYS HA H 1 4.64 . . 1 . . . . . . . . 3456 1 13 . 1 1 3 3 CYS HB2 H 1 2.98 . . 2 . . . . . . . . 3456 1 14 . 1 1 3 3 CYS HB3 H 1 2.88 . . 2 . . . . . . . . 3456 1 15 . 1 1 4 4 ASP H H 1 8.18 . . 1 . . . . . . . . 3456 1 16 . 1 1 4 4 ASP HA H 1 4.57 . . 1 . . . . . . . . 3456 1 17 . 1 1 4 4 ASP HB2 H 1 2.65 . . 2 . . . . . . . . 3456 1 18 . 1 1 4 4 ASP HB3 H 1 2.62 . . 2 . . . . . . . . 3456 1 19 . 1 1 5 5 LEU H H 1 8.4 . . 1 . . . . . . . . 3456 1 20 . 1 1 5 5 LEU HA H 1 4.28 . . 1 . . . . . . . . 3456 1 21 . 1 1 5 5 LEU HB2 H 1 1.57 . . 1 . . . . . . . . 3456 1 22 . 1 1 5 5 LEU HB3 H 1 1.57 . . 1 . . . . . . . . 3456 1 23 . 1 1 5 5 LEU HG H 1 1.18 . . 1 . . . . . . . . 3456 1 24 . 1 1 5 5 LEU HD11 H 1 .84 . . 2 . . . . . . . . 3456 1 25 . 1 1 5 5 LEU HD12 H 1 .84 . . 2 . . . . . . . . 3456 1 26 . 1 1 5 5 LEU HD13 H 1 .84 . . 2 . . . . . . . . 3456 1 27 . 1 1 5 5 LEU HD21 H 1 .79 . . 2 . . . . . . . . 3456 1 28 . 1 1 5 5 LEU HD22 H 1 .79 . . 2 . . . . . . . . 3456 1 29 . 1 1 5 5 LEU HD23 H 1 .79 . . 2 . . . . . . . . 3456 1 30 . 1 1 6 6 LEU H H 1 8.29 . . 1 . . . . . . . . 3456 1 31 . 1 1 6 6 LEU HA H 1 4.37 . . 1 . . . . . . . . 3456 1 32 . 1 1 6 6 LEU HB2 H 1 1.67 . . 1 . . . . . . . . 3456 1 33 . 1 1 6 6 LEU HB3 H 1 1.67 . . 1 . . . . . . . . 3456 1 34 . 1 1 6 6 LEU HG H 1 1.56 . . 1 . . . . . . . . 3456 1 35 . 1 1 6 6 LEU HD11 H 1 .86 . . 2 . . . . . . . . 3456 1 36 . 1 1 6 6 LEU HD12 H 1 .86 . . 2 . . . . . . . . 3456 1 37 . 1 1 6 6 LEU HD13 H 1 .86 . . 2 . . . . . . . . 3456 1 38 . 1 1 6 6 LEU HD21 H 1 .8 . . 2 . . . . . . . . 3456 1 39 . 1 1 6 6 LEU HD22 H 1 .8 . . 2 . . . . . . . . 3456 1 40 . 1 1 6 6 LEU HD23 H 1 .8 . . 2 . . . . . . . . 3456 1 41 . 1 1 7 7 SER H H 1 8.11 . . 1 . . . . . . . . 3456 1 42 . 1 1 7 7 SER HA H 1 4.37 . . 1 . . . . . . . . 3456 1 43 . 1 1 7 7 SER HB2 H 1 3.88 . . 2 . . . . . . . . 3456 1 44 . 1 1 7 7 SER HB3 H 1 3.83 . . 2 . . . . . . . . 3456 1 45 . 1 1 8 8 GLY H H 1 8.46 . . 1 . . . . . . . . 3456 1 46 . 1 1 8 8 GLY HA2 H 1 3.92 . . 2 . . . . . . . . 3456 1 47 . 1 1 8 8 GLY HA3 H 1 4.11 . . 2 . . . . . . . . 3456 1 48 . 1 1 9 9 THR H H 1 8.09 . . 1 . . . . . . . . 3456 1 49 . 1 1 9 9 THR HA H 1 4.38 . . 1 . . . . . . . . 3456 1 50 . 1 1 9 9 THR HB H 1 4.28 . . 1 . . . . . . . . 3456 1 51 . 1 1 9 9 THR HG21 H 1 1.17 . . 1 . . . . . . . . 3456 1 52 . 1 1 9 9 THR HG22 H 1 1.17 . . 1 . . . . . . . . 3456 1 53 . 1 1 9 9 THR HG23 H 1 1.17 . . 1 . . . . . . . . 3456 1 54 . 1 1 10 10 GLY H H 1 8.3 . . 1 . . . . . . . . 3456 1 55 . 1 1 10 10 GLY HA2 H 1 3.92 . . 2 . . . . . . . . 3456 1 56 . 1 1 10 10 GLY HA3 H 1 4.04 . . 2 . . . . . . . . 3456 1 57 . 1 1 11 11 ILE H H 1 8.11 . . 1 . . . . . . . . 3456 1 58 . 1 1 11 11 ILE HA H 1 4.04 . . 1 . . . . . . . . 3456 1 59 . 1 1 11 11 ILE HB H 1 1.69 . . 1 . . . . . . . . 3456 1 60 . 1 1 11 11 ILE HG12 H 1 1.37 . . 2 . . . . . . . . 3456 1 61 . 1 1 11 11 ILE HG13 H 1 1.06 . . 2 . . . . . . . . 3456 1 62 . 1 1 11 11 ILE HG21 H 1 .81 . . 1 . . . . . . . . 3456 1 63 . 1 1 11 11 ILE HG22 H 1 .81 . . 1 . . . . . . . . 3456 1 64 . 1 1 11 11 ILE HG23 H 1 .81 . . 1 . . . . . . . . 3456 1 65 . 1 1 11 11 ILE HD11 H 1 .64 . . 1 . . . . . . . . 3456 1 66 . 1 1 11 11 ILE HD12 H 1 .64 . . 1 . . . . . . . . 3456 1 67 . 1 1 11 11 ILE HD13 H 1 .64 . . 1 . . . . . . . . 3456 1 68 . 1 1 12 12 ASN H H 1 8.42 . . 1 . . . . . . . . 3456 1 69 . 1 1 12 12 ASN HA H 1 4.72 . . 1 . . . . . . . . 3456 1 70 . 1 1 12 12 ASN HB2 H 1 2.99 . . 2 . . . . . . . . 3456 1 71 . 1 1 12 12 ASN HB3 H 1 2.64 . . 2 . . . . . . . . 3456 1 72 . 1 1 12 12 ASN HD21 H 1 7.69 . . 2 . . . . . . . . 3456 1 73 . 1 1 12 12 ASN HD22 H 1 7.05 . . 2 . . . . . . . . 3456 1 74 . 1 1 13 13 HIS H H 1 8.44 . . 1 . . . . . . . . 3456 1 75 . 1 1 13 13 HIS HA H 1 4.64 . . 1 . . . . . . . . 3456 1 76 . 1 1 13 13 HIS HB2 H 1 3.38 . . 2 . . . . . . . . 3456 1 77 . 1 1 13 13 HIS HB3 H 1 3.09 . . 2 . . . . . . . . 3456 1 78 . 1 1 13 13 HIS HD2 H 1 7.21 . . 1 . . . . . . . . 3456 1 79 . 1 1 13 13 HIS HE1 H 1 8.37 . . 1 . . . . . . . . 3456 1 80 . 1 1 14 14 SER H H 1 8.43 . . 1 . . . . . . . . 3456 1 81 . 1 1 14 14 SER HA H 1 4.33 . . 1 . . . . . . . . 3456 1 82 . 1 1 14 14 SER HB2 H 1 4.03 . . 2 . . . . . . . . 3456 1 83 . 1 1 14 14 SER HB3 H 1 3.98 . . 2 . . . . . . . . 3456 1 84 . 1 1 15 15 ALA H H 1 8.29 . . 1 . . . . . . . . 3456 1 85 . 1 1 15 15 ALA HA H 1 4.26 . . 1 . . . . . . . . 3456 1 86 . 1 1 15 15 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 3456 1 87 . 1 1 15 15 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 3456 1 88 . 1 1 15 15 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 3456 1 89 . 1 1 16 16 CYS H H 1 8.26 . . 1 . . . . . . . . 3456 1 90 . 1 1 16 16 CYS HA H 1 4.46 . . 1 . . . . . . . . 3456 1 91 . 1 1 16 16 CYS HB2 H 1 3.07 . . 2 . . . . . . . . 3456 1 92 . 1 1 16 16 CYS HB3 H 1 2.61 . . 2 . . . . . . . . 3456 1 93 . 1 1 17 17 ALA H H 1 8.51 . . 1 . . . . . . . . 3456 1 94 . 1 1 17 17 ALA HA H 1 3.6 . . 1 . . . . . . . . 3456 1 95 . 1 1 17 17 ALA HB1 H 1 1.53 . . 1 . . . . . . . . 3456 1 96 . 1 1 17 17 ALA HB2 H 1 1.53 . . 1 . . . . . . . . 3456 1 97 . 1 1 17 17 ALA HB3 H 1 1.53 . . 1 . . . . . . . . 3456 1 98 . 1 1 18 18 ALA H H 1 8 . . 1 . . . . . . . . 3456 1 99 . 1 1 18 18 ALA HA H 1 4.05 . . 1 . . . . . . . . 3456 1 100 . 1 1 18 18 ALA HB1 H 1 1.47 . . 1 . . . . . . . . 3456 1 101 . 1 1 18 18 ALA HB2 H 1 1.47 . . 1 . . . . . . . . 3456 1 102 . 1 1 18 18 ALA HB3 H 1 1.47 . . 1 . . . . . . . . 3456 1 103 . 1 1 19 19 HIS H H 1 8.03 . . 1 . . . . . . . . 3456 1 104 . 1 1 19 19 HIS HA H 1 4.28 . . 1 . . . . . . . . 3456 1 105 . 1 1 19 19 HIS HB2 H 1 3.56 . . 2 . . . . . . . . 3456 1 106 . 1 1 19 19 HIS HB3 H 1 3.27 . . 2 . . . . . . . . 3456 1 107 . 1 1 19 19 HIS HD2 H 1 7.04 . . 1 . . . . . . . . 3456 1 108 . 1 1 19 19 HIS HE1 H 1 8.35 . . 1 . . . . . . . . 3456 1 109 . 1 1 20 20 CYS H H 1 8.52 . . 1 . . . . . . . . 3456 1 110 . 1 1 20 20 CYS HA H 1 4.13 . . 1 . . . . . . . . 3456 1 111 . 1 1 20 20 CYS HB2 H 1 2.67 . . 2 . . . . . . . . 3456 1 112 . 1 1 20 20 CYS HB3 H 1 2.61 . . 2 . . . . . . . . 3456 1 113 . 1 1 21 21 LEU H H 1 8.58 . . 1 . . . . . . . . 3456 1 114 . 1 1 21 21 LEU HA H 1 4.4 . . 1 . . . . . . . . 3456 1 115 . 1 1 21 21 LEU HB2 H 1 1.79 . . 1 . . . . . . . . 3456 1 116 . 1 1 21 21 LEU HB3 H 1 1.79 . . 1 . . . . . . . . 3456 1 117 . 1 1 21 21 LEU HG H 1 1.59 . . 1 . . . . . . . . 3456 1 118 . 1 1 21 21 LEU HD11 H 1 .87 . . 2 . . . . . . . . 3456 1 119 . 1 1 21 21 LEU HD12 H 1 .87 . . 2 . . . . . . . . 3456 1 120 . 1 1 21 21 LEU HD13 H 1 .87 . . 2 . . . . . . . . 3456 1 121 . 1 1 21 21 LEU HD21 H 1 .84 . . 2 . . . . . . . . 3456 1 122 . 1 1 21 21 LEU HD22 H 1 .84 . . 2 . . . . . . . . 3456 1 123 . 1 1 21 21 LEU HD23 H 1 .84 . . 2 . . . . . . . . 3456 1 124 . 1 1 22 22 LEU H H 1 7.65 . . 1 . . . . . . . . 3456 1 125 . 1 1 22 22 LEU HA H 1 4.12 . . 1 . . . . . . . . 3456 1 126 . 1 1 22 22 LEU HB2 H 1 1.81 . . 2 . . . . . . . . 3456 1 127 . 1 1 22 22 LEU HB3 H 1 1.76 . . 2 . . . . . . . . 3456 1 128 . 1 1 22 22 LEU HG H 1 1.62 . . 1 . . . . . . . . 3456 1 129 . 1 1 22 22 LEU HD11 H 1 .9 . . 2 . . . . . . . . 3456 1 130 . 1 1 22 22 LEU HD12 H 1 .9 . . 2 . . . . . . . . 3456 1 131 . 1 1 22 22 LEU HD13 H 1 .9 . . 2 . . . . . . . . 3456 1 132 . 1 1 22 22 LEU HD21 H 1 .87 . . 2 . . . . . . . . 3456 1 133 . 1 1 22 22 LEU HD22 H 1 .87 . . 2 . . . . . . . . 3456 1 134 . 1 1 22 22 LEU HD23 H 1 .87 . . 2 . . . . . . . . 3456 1 135 . 1 1 23 23 ARG H H 1 7.16 . . 1 . . . . . . . . 3456 1 136 . 1 1 23 23 ARG HA H 1 4.34 . . 1 . . . . . . . . 3456 1 137 . 1 1 23 23 ARG HB2 H 1 2.1 . . 2 . . . . . . . . 3456 1 138 . 1 1 23 23 ARG HB3 H 1 1.68 . . 2 . . . . . . . . 3456 1 139 . 1 1 23 23 ARG HG2 H 1 1.53 . . 1 . . . . . . . . 3456 1 140 . 1 1 23 23 ARG HG3 H 1 1.53 . . 1 . . . . . . . . 3456 1 141 . 1 1 23 23 ARG HD2 H 1 3.01 . . 1 . . . . . . . . 3456 1 142 . 1 1 23 23 ARG HD3 H 1 3.01 . . 1 . . . . . . . . 3456 1 143 . 1 1 23 23 ARG HE H 1 7.22 . . 1 . . . . . . . . 3456 1 144 . 1 1 24 24 GLY H H 1 7.8 . . 1 . . . . . . . . 3456 1 145 . 1 1 24 24 GLY HA2 H 1 3.76 . . 2 . . . . . . . . 3456 1 146 . 1 1 24 24 GLY HA3 H 1 4.22 . . 2 . . . . . . . . 3456 1 147 . 1 1 25 25 ASN H H 1 7.81 . . 1 . . . . . . . . 3456 1 148 . 1 1 25 25 ASN HA H 1 5.18 . . 1 . . . . . . . . 3456 1 149 . 1 1 25 25 ASN HB2 H 1 3.15 . . 2 . . . . . . . . 3456 1 150 . 1 1 25 25 ASN HB3 H 1 2.25 . . 2 . . . . . . . . 3456 1 151 . 1 1 25 25 ASN HD21 H 1 7.13 . . 2 . . . . . . . . 3456 1 152 . 1 1 25 25 ASN HD22 H 1 7.05 . . 2 . . . . . . . . 3456 1 153 . 1 1 26 26 ARG H H 1 8.3 . . 1 . . . . . . . . 3456 1 154 . 1 1 26 26 ARG HA H 1 4.29 . . 1 . . . . . . . . 3456 1 155 . 1 1 26 26 ARG HB2 H 1 1.88 . . 2 . . . . . . . . 3456 1 156 . 1 1 26 26 ARG HB3 H 1 1.76 . . 2 . . . . . . . . 3456 1 157 . 1 1 26 26 ARG HG2 H 1 1.71 . . 2 . . . . . . . . 3456 1 158 . 1 1 26 26 ARG HG3 H 1 1.65 . . 2 . . . . . . . . 3456 1 159 . 1 1 26 26 ARG HD2 H 1 3.17 . . 1 . . . . . . . . 3456 1 160 . 1 1 26 26 ARG HD3 H 1 3.17 . . 1 . . . . . . . . 3456 1 161 . 1 1 26 26 ARG HE H 1 7.34 . . 1 . . . . . . . . 3456 1 162 . 1 1 27 27 GLY H H 1 7.69 . . 1 . . . . . . . . 3456 1 163 . 1 1 27 27 GLY HA2 H 1 3.88 . . 2 . . . . . . . . 3456 1 164 . 1 1 27 27 GLY HA3 H 1 4.16 . . 2 . . . . . . . . 3456 1 165 . 1 1 28 28 GLY H H 1 8.26 . . 1 . . . . . . . . 3456 1 166 . 1 1 28 28 GLY HA2 H 1 4.21 . . 2 . . . . . . . . 3456 1 167 . 1 1 28 28 GLY HA3 H 1 4.76 . . 2 . . . . . . . . 3456 1 168 . 1 1 29 29 TYR H H 1 8.81 . . 1 . . . . . . . . 3456 1 169 . 1 1 29 29 TYR HA H 1 4.82 . . 1 . . . . . . . . 3456 1 170 . 1 1 29 29 TYR HB2 H 1 2.84 . . 2 . . . . . . . . 3456 1 171 . 1 1 29 29 TYR HB3 H 1 2.74 . . 2 . . . . . . . . 3456 1 172 . 1 1 29 29 TYR HD1 H 1 6.74 . . 1 . . . . . . . . 3456 1 173 . 1 1 29 29 TYR HD2 H 1 6.74 . . 1 . . . . . . . . 3456 1 174 . 1 1 29 29 TYR HE1 H 1 6.59 . . 1 . . . . . . . . 3456 1 175 . 1 1 29 29 TYR HE2 H 1 6.59 . . 1 . . . . . . . . 3456 1 176 . 1 1 30 30 CYS H H 1 10.04 . . 1 . . . . . . . . 3456 1 177 . 1 1 30 30 CYS HA H 1 5.1 . . 1 . . . . . . . . 3456 1 178 . 1 1 30 30 CYS HB2 H 1 2.94 . . 2 . . . . . . . . 3456 1 179 . 1 1 30 30 CYS HB3 H 1 2.86 . . 2 . . . . . . . . 3456 1 180 . 1 1 31 31 ASN H H 1 8.92 . . 1 . . . . . . . . 3456 1 181 . 1 1 31 31 ASN HA H 1 4.88 . . 1 . . . . . . . . 3456 1 182 . 1 1 31 31 ASN HB2 H 1 3.63 . . 2 . . . . . . . . 3456 1 183 . 1 1 31 31 ASN HB3 H 1 2.78 . . 2 . . . . . . . . 3456 1 184 . 1 1 31 31 ASN HD21 H 1 7.58 . . 2 . . . . . . . . 3456 1 185 . 1 1 31 31 ASN HD22 H 1 6.95 . . 2 . . . . . . . . 3456 1 186 . 1 1 32 32 GLY H H 1 8.56 . . 1 . . . . . . . . 3456 1 187 . 1 1 32 32 GLY HA2 H 1 3.96 . . 1 . . . . . . . . 3456 1 188 . 1 1 32 32 GLY HA3 H 1 3.96 . . 1 . . . . . . . . 3456 1 189 . 1 1 33 33 LYS H H 1 7.63 . . 1 . . . . . . . . 3456 1 190 . 1 1 33 33 LYS HA H 1 4.46 . . 1 . . . . . . . . 3456 1 191 . 1 1 33 33 LYS HB2 H 1 2.06 . . 2 . . . . . . . . 3456 1 192 . 1 1 33 33 LYS HB3 H 1 1.66 . . 2 . . . . . . . . 3456 1 193 . 1 1 33 33 LYS HG2 H 1 1.42 . . 1 . . . . . . . . 3456 1 194 . 1 1 33 33 LYS HG3 H 1 1.42 . . 1 . . . . . . . . 3456 1 195 . 1 1 33 33 LYS HD2 H 1 1.35 . . 1 . . . . . . . . 3456 1 196 . 1 1 33 33 LYS HD3 H 1 1.35 . . 1 . . . . . . . . 3456 1 197 . 1 1 33 33 LYS HE2 H 1 2.96 . . 1 . . . . . . . . 3456 1 198 . 1 1 33 33 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 3456 1 199 . 1 1 33 33 LYS HZ1 H 1 7.58 . . 1 . . . . . . . . 3456 1 200 . 1 1 33 33 LYS HZ2 H 1 7.58 . . 1 . . . . . . . . 3456 1 201 . 1 1 33 33 LYS HZ3 H 1 7.58 . . 1 . . . . . . . . 3456 1 202 . 1 1 34 34 GLY H H 1 8.23 . . 1 . . . . . . . . 3456 1 203 . 1 1 34 34 GLY HA2 H 1 3.6 . . 2 . . . . . . . . 3456 1 204 . 1 1 34 34 GLY HA3 H 1 4.04 . . 2 . . . . . . . . 3456 1 205 . 1 1 35 35 VAL H H 1 7.62 . . 1 . . . . . . . . 3456 1 206 . 1 1 35 35 VAL HA H 1 3.95 . . 1 . . . . . . . . 3456 1 207 . 1 1 35 35 VAL HB H 1 1.78 . . 1 . . . . . . . . 3456 1 208 . 1 1 35 35 VAL HG11 H 1 .76 . . 1 . . . . . . . . 3456 1 209 . 1 1 35 35 VAL HG12 H 1 .76 . . 1 . . . . . . . . 3456 1 210 . 1 1 35 35 VAL HG13 H 1 .76 . . 1 . . . . . . . . 3456 1 211 . 1 1 35 35 VAL HG21 H 1 .76 . . 1 . . . . . . . . 3456 1 212 . 1 1 35 35 VAL HG22 H 1 .76 . . 1 . . . . . . . . 3456 1 213 . 1 1 35 35 VAL HG23 H 1 .76 . . 1 . . . . . . . . 3456 1 214 . 1 1 36 36 CYS H H 1 8.47 . . 1 . . . . . . . . 3456 1 215 . 1 1 36 36 CYS HA H 1 4.7 . . 1 . . . . . . . . 3456 1 216 . 1 1 36 36 CYS HB2 H 1 2.86 . . 2 . . . . . . . . 3456 1 217 . 1 1 36 36 CYS HB3 H 1 2.51 . . 2 . . . . . . . . 3456 1 218 . 1 1 37 37 VAL H H 1 9.18 . . 1 . . . . . . . . 3456 1 219 . 1 1 37 37 VAL HA H 1 3.91 . . 1 . . . . . . . . 3456 1 220 . 1 1 37 37 VAL HB H 1 1.32 . . 1 . . . . . . . . 3456 1 221 . 1 1 37 37 VAL HG11 H 1 .8 . . 2 . . . . . . . . 3456 1 222 . 1 1 37 37 VAL HG12 H 1 .8 . . 2 . . . . . . . . 3456 1 223 . 1 1 37 37 VAL HG13 H 1 .8 . . 2 . . . . . . . . 3456 1 224 . 1 1 37 37 VAL HG21 H 1 .7 . . 2 . . . . . . . . 3456 1 225 . 1 1 37 37 VAL HG22 H 1 .7 . . 2 . . . . . . . . 3456 1 226 . 1 1 37 37 VAL HG23 H 1 .7 . . 2 . . . . . . . . 3456 1 227 . 1 1 38 38 CYS H H 1 8.56 . . 1 . . . . . . . . 3456 1 228 . 1 1 38 38 CYS HA H 1 5.42 . . 1 . . . . . . . . 3456 1 229 . 1 1 38 38 CYS HB2 H 1 2.93 . . 2 . . . . . . . . 3456 1 230 . 1 1 38 38 CYS HB3 H 1 2.61 . . 2 . . . . . . . . 3456 1 231 . 1 1 39 39 ARG H H 1 8.48 . . 1 . . . . . . . . 3456 1 232 . 1 1 39 39 ARG HA H 1 4.6 . . 1 . . . . . . . . 3456 1 233 . 1 1 39 39 ARG HB2 H 1 1.8 . . 2 . . . . . . . . 3456 1 234 . 1 1 39 39 ARG HB3 H 1 1.6 . . 2 . . . . . . . . 3456 1 235 . 1 1 39 39 ARG HG2 H 1 1.54 . . 1 . . . . . . . . 3456 1 236 . 1 1 39 39 ARG HG3 H 1 1.54 . . 1 . . . . . . . . 3456 1 237 . 1 1 39 39 ARG HD2 H 1 3.16 . . 2 . . . . . . . . 3456 1 238 . 1 1 39 39 ARG HD3 H 1 3.14 . . 2 . . . . . . . . 3456 1 239 . 1 1 39 39 ARG HE H 1 7.25 . . 1 . . . . . . . . 3456 1 240 . 1 1 40 40 ASN H H 1 8.38 . . 1 . . . . . . . . 3456 1 241 . 1 1 40 40 ASN HA H 1 4.6 . . 1 . . . . . . . . 3456 1 242 . 1 1 40 40 ASN HB2 H 1 2.8 . . 2 . . . . . . . . 3456 1 243 . 1 1 40 40 ASN HB3 H 1 2.6 . . 2 . . . . . . . . 3456 1 244 . 1 1 40 40 ASN HD21 H 1 7.53 . . 2 . . . . . . . . 3456 1 245 . 1 1 40 40 ASN HD22 H 1 7.01 . . 2 . . . . . . . . 3456 1 stop_ save_