################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4020 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_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 . 4020 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 ASN H H 1 8.32 0.005 . 1 . . . . . . . . 4020 1 2 . 1 1 1 1 ASN HA H 1 4.69 0.005 . 1 . . . . . . . . 4020 1 3 . 1 1 1 1 ASN HB2 H 1 2.91 0.005 . 2 . . . . . . . . 4020 1 4 . 1 1 1 1 ASN HB3 H 1 2.83 0.005 . 2 . . . . . . . . 4020 1 5 . 1 1 1 1 ASN CB C 13 38.6 0.05 . 1 . . . . . . . . 4020 1 6 . 1 1 1 1 ASN HD21 H 1 7.6 0.005 . 2 . . . . . . . . 4020 1 7 . 1 1 1 1 ASN HD22 H 1 6.95 0.005 . 2 . . . . . . . . 4020 1 8 . 1 1 2 2 HIS H H 1 8.58 0.005 . 1 . . . . . . . . 4020 1 9 . 1 1 2 2 HIS HA H 1 4.68 0.005 . 1 . . . . . . . . 4020 1 10 . 1 1 2 2 HIS HB2 H 1 3.3 0.005 . 2 . . . . . . . . 4020 1 11 . 1 1 2 2 HIS HB3 H 1 3.17 0.005 . 2 . . . . . . . . 4020 1 12 . 1 1 2 2 HIS CB C 13 28.8 0.05 . 1 . . . . . . . . 4020 1 13 . 1 1 2 2 HIS HD2 H 1 7.28 0.005 . 1 . . . . . . . . 4020 1 14 . 1 1 2 2 HIS HE1 H 1 8.59 0.005 . 1 . . . . . . . . 4020 1 15 . 1 1 3 3 GLN H H 1 8.64 0.005 . 1 . . . . . . . . 4020 1 16 . 1 1 3 3 GLN HA H 1 4.3 0.005 . 1 . . . . . . . . 4020 1 17 . 1 1 3 3 GLN HB2 H 1 2.09 0.005 . 2 . . . . . . . . 4020 1 18 . 1 1 3 3 GLN HB3 H 1 2.00 0.005 . 2 . . . . . . . . 4020 1 19 . 1 1 3 3 GLN CA C 13 56.3 0.05 . 1 . . . . . . . . 4020 1 20 . 1 1 3 3 GLN CB C 13 30.4 0.05 . 1 . . . . . . . . 4020 1 21 . 1 1 3 3 GLN HG2 H 1 2.36 0.005 . 1 . . . . . . . . 4020 1 22 . 1 1 3 3 GLN HG3 H 1 2.36 0.005 . 1 . . . . . . . . 4020 1 23 . 1 1 3 3 GLN CG C 13 36.1 0.05 . 1 . . . . . . . . 4020 1 24 . 1 1 3 3 GLN HE21 H 1 7.68 0.005 . 2 . . . . . . . . 4020 1 25 . 1 1 3 3 GLN HE22 H 1 7.2 0.005 . 2 . . . . . . . . 4020 1 26 . 1 1 4 4 ASP H H 1 8.51 0.005 . 1 . . . . . . . . 4020 1 27 . 1 1 4 4 ASP HA H 1 4.55 0.005 . 1 . . . . . . . . 4020 1 28 . 1 1 4 4 ASP HB2 H 1 2.68 0.005 . 2 . . . . . . . . 4020 1 29 . 1 1 4 4 ASP HB3 H 1 2.62 0.005 . 2 . . . . . . . . 4020 1 30 . 1 1 4 4 ASP CA C 13 54.4 0.05 . 1 . . . . . . . . 4020 1 31 . 1 1 4 4 ASP CB C 13 41.3 0.05 . 1 . . . . . . . . 4020 1 32 . 1 1 5 5 HIS H H 1 8.74 0.005 . 1 . . . . . . . . 4020 1 33 . 1 1 5 5 HIS HA H 1 4.68 0.005 . 1 . . . . . . . . 4020 1 34 . 1 1 5 5 HIS HB2 H 1 3.3 0.005 . 2 . . . . . . . . 4020 1 35 . 1 1 5 5 HIS HB3 H 1 3.18 0.005 . 2 . . . . . . . . 4020 1 36 . 1 1 5 5 HIS CB C 13 28.8 0.05 . 1 . . . . . . . . 4020 1 37 . 1 1 5 5 HIS HD2 H 1 7.27 0.005 . 1 . . . . . . . . 4020 1 38 . 1 1 5 5 HIS HE1 H 1 8.69 0.005 . 1 . . . . . . . . 4020 1 39 . 1 1 6 6 ASN H H 1 8.58 0.005 . 1 . . . . . . . . 4020 1 40 . 1 1 6 6 ASN HA H 1 4.64 0.005 . 1 . . . . . . . . 4020 1 41 . 1 1 6 6 ASN HB2 H 1 2.69 0.005 . 1 . . . . . . . . 4020 1 42 . 1 1 6 6 ASN HB3 H 1 2.69 0.005 . 1 . . . . . . . . 4020 1 43 . 1 1 6 6 ASN CA C 13 55.1 0.05 . 1 . . . . . . . . 4020 1 44 . 1 1 6 6 ASN CB C 13 38.9 0.05 . 1 . . . . . . . . 4020 1 45 . 1 1 6 6 ASN HD21 H 1 7.7 0.005 . 2 . . . . . . . . 4020 1 46 . 1 1 6 6 ASN HD22 H 1 7.00 0.005 . 2 . . . . . . . . 4020 1 47 . 1 1 7 7 ASN H H 1 8.46 0.005 . 1 . . . . . . . . 4020 1 48 . 1 1 7 7 ASN HA H 1 4.67 0.005 . 1 . . . . . . . . 4020 1 49 . 1 1 7 7 ASN HB2 H 1 2.76 0.005 . 2 . . . . . . . . 4020 1 50 . 1 1 7 7 ASN HB3 H 1 2.67 0.005 . 2 . . . . . . . . 4020 1 51 . 1 1 7 7 ASN CB C 13 38.8 0.05 . 1 . . . . . . . . 4020 1 52 . 1 1 7 7 ASN HD21 H 1 7.63 0.005 . 2 . . . . . . . . 4020 1 53 . 1 1 7 7 ASN HD22 H 1 6.94 0.005 . 2 . . . . . . . . 4020 1 54 . 1 1 8 8 PHE H H 1 8.26 0.005 . 1 . . . . . . . . 4020 1 55 . 1 1 8 8 PHE HA H 1 4.6 0.005 . 1 . . . . . . . . 4020 1 56 . 1 1 8 8 PHE HB2 H 1 3.16 0.005 . 2 . . . . . . . . 4020 1 57 . 1 1 8 8 PHE HB3 H 1 3.04 0.005 . 2 . . . . . . . . 4020 1 58 . 1 1 8 8 PHE CB C 13 39.3 0.05 . 1 . . . . . . . . 4020 1 59 . 1 1 8 8 PHE HD1 H 1 7.23 0.005 . 1 . . . . . . . . 4020 1 60 . 1 1 8 8 PHE HD2 H 1 7.23 0.005 . 1 . . . . . . . . 4020 1 61 . 1 1 8 8 PHE HE1 H 1 7.2 0.005 . 1 . . . . . . . . 4020 1 62 . 1 1 8 8 PHE HE2 H 1 7.2 0.005 . 1 . . . . . . . . 4020 1 63 . 1 1 8 8 PHE HZ H 1 7.34 0.005 . 1 . . . . . . . . 4020 1 64 . 1 1 9 9 GLN H H 1 8.31 0.005 . 1 . . . . . . . . 4020 1 65 . 1 1 9 9 GLN HA H 1 4.34 0.005 . 1 . . . . . . . . 4020 1 66 . 1 1 9 9 GLN HB2 H 1 2.06 0.005 . 2 . . . . . . . . 4020 1 67 . 1 1 9 9 GLN HB3 H 1 1.95 0.005 . 2 . . . . . . . . 4020 1 68 . 1 1 9 9 GLN CB C 13 30.3 0.05 . 1 . . . . . . . . 4020 1 69 . 1 1 9 9 GLN HG2 H 1 2.28 0.005 . 1 . . . . . . . . 4020 1 70 . 1 1 9 9 GLN HG3 H 1 2.28 0.005 . 1 . . . . . . . . 4020 1 71 . 1 1 9 9 GLN HE21 H 1 7.59 0.005 . 2 . . . . . . . . 4020 1 72 . 1 1 9 9 GLN HE22 H 1 6.91 0.005 . 2 . . . . . . . . 4020 1 73 . 1 1 10 10 THR H H 1 8.24 0.005 . 1 . . . . . . . . 4020 1 74 . 1 1 10 10 THR HA H 1 4.29 0.005 . 1 . . . . . . . . 4020 1 75 . 1 1 10 10 THR HB H 1 4.16 0.005 . 1 . . . . . . . . 4020 1 76 . 1 1 10 10 THR CA C 13 62.1 0.05 . 1 . . . . . . . . 4020 1 77 . 1 1 10 10 THR CB C 13 69.8 0.05 . 1 . . . . . . . . 4020 1 78 . 1 1 10 10 THR HG21 H 1 1.21 0.005 . 1 . . . . . . . . 4020 1 79 . 1 1 10 10 THR HG22 H 1 1.21 0.005 . 1 . . . . . . . . 4020 1 80 . 1 1 10 10 THR HG23 H 1 1.21 0.005 . 1 . . . . . . . . 4020 1 81 . 1 1 10 10 THR CG2 C 13 21.9 0.05 . 1 . . . . . . . . 4020 1 82 . 1 1 11 11 LEU H H 1 8.32 0.005 . 1 . . . . . . . . 4020 1 83 . 1 1 11 11 LEU HA H 1 4.61 0.005 . 1 . . . . . . . . 4020 1 84 . 1 1 11 11 LEU HB2 H 1 1.61 0.005 . 2 . . . . . . . . 4020 1 85 . 1 1 11 11 LEU HB3 H 1 1.43 0.005 . 2 . . . . . . . . 4020 1 86 . 1 1 11 11 LEU CB C 13 42.00 0.05 . 1 . . . . . . . . 4020 1 87 . 1 1 11 11 LEU HG H 1 1.67 0.005 . 1 . . . . . . . . 4020 1 88 . 1 1 11 11 LEU CG C 13 27.1 0.05 . 1 . . . . . . . . 4020 1 89 . 1 1 11 11 LEU HD11 H 1 0.93 0.005 . 2 . . . . . . . . 4020 1 90 . 1 1 11 11 LEU HD12 H 1 0.93 0.005 . 2 . . . . . . . . 4020 1 91 . 1 1 11 11 LEU HD13 H 1 0.93 0.005 . 2 . . . . . . . . 4020 1 92 . 1 1 11 11 LEU HD21 H 1 0.9 0.005 . 2 . . . . . . . . 4020 1 93 . 1 1 11 11 LEU HD22 H 1 0.9 0.005 . 2 . . . . . . . . 4020 1 94 . 1 1 11 11 LEU HD23 H 1 0.9 0.005 . 2 . . . . . . . . 4020 1 95 . 1 1 12 12 PRO HA H 1 4.4 0.005 . 1 . . . . . . . . 4020 1 96 . 1 1 12 12 PRO HB2 H 1 2.19 0.005 . 2 . . . . . . . . 4020 1 97 . 1 1 12 12 PRO HB3 H 1 1.85 0.005 . 2 . . . . . . . . 4020 1 98 . 1 1 12 12 PRO CA C 13 63.2 0.05 . 1 . . . . . . . . 4020 1 99 . 1 1 12 12 PRO CB C 13 31.9 0.05 . 1 . . . . . . . . 4020 1 100 . 1 1 12 12 PRO HG2 H 1 1.95 0.005 . 2 . . . . . . . . 4020 1 101 . 1 1 12 12 PRO HG3 H 1 1.99 0.005 . 2 . . . . . . . . 4020 1 102 . 1 1 12 12 PRO HD2 H 1 3.8 0.005 . 2 . . . . . . . . 4020 1 103 . 1 1 12 12 PRO HD3 H 1 3.58 0.005 . 2 . . . . . . . . 4020 1 104 . 1 1 12 12 PRO CD C 13 50.5 0.05 . 1 . . . . . . . . 4020 1 105 . 1 1 13 13 TYR H H 1 7.94 0.005 . 1 . . . . . . . . 4020 1 106 . 1 1 13 13 TYR HA H 1 4.6 0.005 . 1 . . . . . . . . 4020 1 107 . 1 1 13 13 TYR HB2 H 1 2.89 0.005 . 2 . . . . . . . . 4020 1 108 . 1 1 13 13 TYR HB3 H 1 2.84 0.005 . 2 . . . . . . . . 4020 1 109 . 1 1 13 13 TYR CB C 13 39.2 0.05 . 1 . . . . . . . . 4020 1 110 . 1 1 13 13 TYR HD1 H 1 6.91 0.005 . 1 . . . . . . . . 4020 1 111 . 1 1 13 13 TYR HD2 H 1 6.91 0.005 . 1 . . . . . . . . 4020 1 112 . 1 1 13 13 TYR HE1 H 1 6.7 0.005 . 1 . . . . . . . . 4020 1 113 . 1 1 13 13 TYR HE2 H 1 6.7 0.005 . 1 . . . . . . . . 4020 1 114 . 1 1 14 14 VAL H H 1 8.46 0.005 . 1 . . . . . . . . 4020 1 115 . 1 1 14 14 VAL HA H 1 4.42 0.005 . 1 . . . . . . . . 4020 1 116 . 1 1 14 14 VAL HB H 1 1.95 0.005 . 1 . . . . . . . . 4020 1 117 . 1 1 14 14 VAL CA C 13 60.7 0.05 . 1 . . . . . . . . 4020 1 118 . 1 1 14 14 VAL CB C 13 33.6 0.05 . 1 . . . . . . . . 4020 1 119 . 1 1 14 14 VAL HG11 H 1 0.85 0.005 . 1 . . . . . . . . 4020 1 120 . 1 1 14 14 VAL HG12 H 1 0.85 0.005 . 1 . . . . . . . . 4020 1 121 . 1 1 14 14 VAL HG13 H 1 0.85 0.005 . 1 . . . . . . . . 4020 1 122 . 1 1 14 14 VAL HG21 H 1 0.85 0.005 . 1 . . . . . . . . 4020 1 123 . 1 1 14 14 VAL HG22 H 1 0.85 0.005 . 1 . . . . . . . . 4020 1 124 . 1 1 14 14 VAL HG23 H 1 0.85 0.005 . 1 . . . . . . . . 4020 1 125 . 1 1 14 14 VAL CG1 C 13 21.3 0.05 . 2 . . . . . . . . 4020 1 126 . 1 1 14 14 VAL CG2 C 13 20.4 0.05 . 2 . . . . . . . . 4020 1 127 . 1 1 15 15 PRO HA H 1 4.99 0.005 . 1 . . . . . . . . 4020 1 128 . 1 1 15 15 PRO HB2 H 1 2.51 0.005 . 1 . . . . . . . . 4020 1 129 . 1 1 15 15 PRO HB3 H 1 2.51 0.005 . 1 . . . . . . . . 4020 1 130 . 1 1 15 15 PRO CB C 13 32.2 0.05 . 1 . . . . . . . . 4020 1 131 . 1 1 15 15 PRO HG2 H 1 2.19 0.005 . 2 . . . . . . . . 4020 1 132 . 1 1 15 15 PRO HG3 H 1 2.02 0.005 . 2 . . . . . . . . 4020 1 133 . 1 1 15 15 PRO CG C 13 27.9 0.05 . 1 . . . . . . . . 4020 1 134 . 1 1 15 15 PRO HD2 H 1 3.95 0.005 . 2 . . . . . . . . 4020 1 135 . 1 1 15 15 PRO HD3 H 1 3.64 0.005 . 2 . . . . . . . . 4020 1 136 . 1 1 15 15 PRO CD C 13 51.3 0.05 . 1 . . . . . . . . 4020 1 137 . 1 1 16 16 CYS H H 1 8.86 0.005 . 1 . . . . . . . . 4020 1 138 . 1 1 16 16 CYS HA H 1 4.65 0.005 . 1 . . . . . . . . 4020 1 139 . 1 1 16 16 CYS HB2 H 1 2.85 0.005 . 1 . . . . . . . . 4020 1 140 . 1 1 16 16 CYS HB3 H 1 3.13 0.005 . 1 . . . . . . . . 4020 1 141 . 1 1 16 16 CYS CB C 13 40.2 0.05 . 1 . . . . . . . . 4020 1 142 . 1 1 17 17 SER H H 1 8.8 0.005 . 1 . . . . . . . . 4020 1 143 . 1 1 17 17 SER HA H 1 4.26 0.005 . 1 . . . . . . . . 4020 1 144 . 1 1 17 17 SER HB2 H 1 4.07 0.005 . 2 . . . . . . . . 4020 1 145 . 1 1 17 17 SER HB3 H 1 3.98 0.005 . 2 . . . . . . . . 4020 1 146 . 1 1 17 17 SER CA C 13 60.8 0.05 . 1 . . . . . . . . 4020 1 147 . 1 1 17 17 SER CB C 13 62.3 0.05 . 1 . . . . . . . . 4020 1 148 . 1 1 18 18 THR H H 1 7.79 0.005 . 1 . . . . . . . . 4020 1 149 . 1 1 18 18 THR HA H 1 4.65 0.005 . 1 . . . . . . . . 4020 1 150 . 1 1 18 18 THR HB H 1 4.44 0.005 . 1 . . . . . . . . 4020 1 151 . 1 1 18 18 THR CB C 13 70.1 0.05 . 1 . . . . . . . . 4020 1 152 . 1 1 18 18 THR HG21 H 1 1.28 0.005 . 1 . . . . . . . . 4020 1 153 . 1 1 18 18 THR HG22 H 1 1.28 0.005 . 1 . . . . . . . . 4020 1 154 . 1 1 18 18 THR HG23 H 1 1.28 0.005 . 1 . . . . . . . . 4020 1 155 . 1 1 18 18 THR CG2 C 13 21.8 0.05 . 1 . . . . . . . . 4020 1 156 . 1 1 19 19 CYS H H 1 7.6 0.005 . 1 . . . . . . . . 4020 1 157 . 1 1 19 19 CYS HA H 1 4.69 0.005 . 1 . . . . . . . . 4020 1 158 . 1 1 19 19 CYS HB2 H 1 2.98 0.005 . 1 . . . . . . . . 4020 1 159 . 1 1 19 19 CYS HB3 H 1 3.23 0.005 . 1 . . . . . . . . 4020 1 160 . 1 1 19 19 CYS CB C 13 35.2 0.05 . 1 . . . . . . . . 4020 1 161 . 1 1 20 20 GLU H H 1 9.05 0.005 . 1 . . . . . . . . 4020 1 162 . 1 1 20 20 GLU HA H 1 3.94 0.005 . 1 . . . . . . . . 4020 1 163 . 1 1 20 20 GLU HB2 H 1 2.25 0.005 . 2 . . . . . . . . 4020 1 164 . 1 1 20 20 GLU HB3 H 1 2.08 0.005 . 2 . . . . . . . . 4020 1 165 . 1 1 20 20 GLU CA C 13 56.8 0.05 . 1 . . . . . . . . 4020 1 166 . 1 1 20 20 GLU CB C 13 27.5 0.05 . 1 . . . . . . . . 4020 1 167 . 1 1 20 20 GLU HG2 H 1 2.34 0.005 . 2 . . . . . . . . 4020 1 168 . 1 1 20 20 GLU HG3 H 1 2.25 0.005 . 2 . . . . . . . . 4020 1 169 . 1 1 20 20 GLU CG C 13 35.5 0.05 . 1 . . . . . . . . 4020 1 170 . 1 1 21 21 GLY H H 1 8.8 0.005 . 1 . . . . . . . . 4020 1 171 . 1 1 21 21 GLY CA C 13 45.4 0.05 . 1 . . . . . . . . 4020 1 172 . 1 1 21 21 GLY HA2 H 1 3.56 0.005 . 1 . . . . . . . . 4020 1 173 . 1 1 21 21 GLY HA3 H 1 4.1 0.005 . 1 . . . . . . . . 4020 1 174 . 1 1 22 22 ASN H H 1 7.76 0.005 . 1 . . . . . . . . 4020 1 175 . 1 1 22 22 ASN HA H 1 4.57 0.005 . 1 . . . . . . . . 4020 1 176 . 1 1 22 22 ASN HB2 H 1 2.92 0.005 . 1 . . . . . . . . 4020 1 177 . 1 1 22 22 ASN HB3 H 1 2.83 0.005 . 1 . . . . . . . . 4020 1 178 . 1 1 22 22 ASN CA C 13 54.4 0.05 . 1 . . . . . . . . 4020 1 179 . 1 1 22 22 ASN CB C 13 39.6 0.05 . 1 . . . . . . . . 4020 1 180 . 1 1 22 22 ASN HD21 H 1 7.99 0.005 . 2 . . . . . . . . 4020 1 181 . 1 1 22 22 ASN HD22 H 1 7.21 0.005 . 2 . . . . . . . . 4020 1 182 . 1 1 23 23 LEU H H 1 8.86 0.005 . 1 . . . . . . . . 4020 1 183 . 1 1 23 23 LEU HA H 1 3.96 0.005 . 1 . . . . . . . . 4020 1 184 . 1 1 23 23 LEU HB2 H 1 1.78 0.005 . 1 . . . . . . . . 4020 1 185 . 1 1 23 23 LEU HB3 H 1 1.53 0.005 . 1 . . . . . . . . 4020 1 186 . 1 1 23 23 LEU CA C 13 58.5 0.05 . 1 . . . . . . . . 4020 1 187 . 1 1 23 23 LEU CB C 13 41.7 0.05 . 1 . . . . . . . . 4020 1 188 . 1 1 23 23 LEU HG H 1 1.82 0.005 . 1 . . . . . . . . 4020 1 189 . 1 1 23 23 LEU CG C 13 27.2 0.05 . 1 . . . . . . . . 4020 1 190 . 1 1 23 23 LEU HD11 H 1 0.97 0.005 . 2 . . . . . . . . 4020 1 191 . 1 1 23 23 LEU HD12 H 1 0.97 0.005 . 2 . . . . . . . . 4020 1 192 . 1 1 23 23 LEU HD13 H 1 0.97 0.005 . 2 . . . . . . . . 4020 1 193 . 1 1 23 23 LEU HD21 H 1 0.89 0.005 . 2 . . . . . . . . 4020 1 194 . 1 1 23 23 LEU HD22 H 1 0.89 0.005 . 2 . . . . . . . . 4020 1 195 . 1 1 23 23 LEU HD23 H 1 0.89 0.005 . 2 . . . . . . . . 4020 1 196 . 1 1 23 23 LEU CD1 C 13 25.1 0.05 . 1 . . . . . . . . 4020 1 197 . 1 1 23 23 LEU CD2 C 13 25.1 0.05 . 1 . . . . . . . . 4020 1 198 . 1 1 24 24 ALA H H 1 8.24 0.005 . 1 . . . . . . . . 4020 1 199 . 1 1 24 24 ALA HA H 1 4.15 0.005 . 1 . . . . . . . . 4020 1 200 . 1 1 24 24 ALA HB1 H 1 1.48 0.005 . 1 . . . . . . . . 4020 1 201 . 1 1 24 24 ALA HB2 H 1 1.48 0.005 . 1 . . . . . . . . 4020 1 202 . 1 1 24 24 ALA HB3 H 1 1.48 0.005 . 1 . . . . . . . . 4020 1 203 . 1 1 24 24 ALA CA C 13 55.3 0.05 . 1 . . . . . . . . 4020 1 204 . 1 1 24 24 ALA CB C 13 17.5 0.05 . 1 . . . . . . . . 4020 1 205 . 1 1 25 25 CYS H H 1 8.27 0.005 . 1 . . . . . . . . 4020 1 206 . 1 1 25 25 CYS HA H 1 4.12 0.005 . 1 . . . . . . . . 4020 1 207 . 1 1 25 25 CYS HB2 H 1 2.9 0.005 . 1 . . . . . . . . 4020 1 208 . 1 1 25 25 CYS HB3 H 1 3.3 0.005 . 1 . . . . . . . . 4020 1 209 . 1 1 25 25 CYS CA C 13 59.3 0.05 . 1 . . . . . . . . 4020 1 210 . 1 1 25 25 CYS CB C 13 33.8 0.05 . 1 . . . . . . . . 4020 1 211 . 1 1 26 26 LEU H H 1 8.48 0.005 . 1 . . . . . . . . 4020 1 212 . 1 1 26 26 LEU HA H 1 4.36 0.005 . 1 . . . . . . . . 4020 1 213 . 1 1 26 26 LEU HB2 H 1 1.47 0.005 . 1 . . . . . . . . 4020 1 214 . 1 1 26 26 LEU HB3 H 1 1.85 0.005 . 1 . . . . . . . . 4020 1 215 . 1 1 26 26 LEU CA C 13 57.4 0.05 . 1 . . . . . . . . 4020 1 216 . 1 1 26 26 LEU CB C 13 41.8 0.05 . 1 . . . . . . . . 4020 1 217 . 1 1 26 26 LEU HG H 1 1.62 0.005 . 1 . . . . . . . . 4020 1 218 . 1 1 26 26 LEU CG C 13 27.5 0.05 . 1 . . . . . . . . 4020 1 219 . 1 1 26 26 LEU HD11 H 1 0.94 0.005 . 1 . . . . . . . . 4020 1 220 . 1 1 26 26 LEU HD12 H 1 0.94 0.005 . 1 . . . . . . . . 4020 1 221 . 1 1 26 26 LEU HD13 H 1 0.94 0.005 . 1 . . . . . . . . 4020 1 222 . 1 1 26 26 LEU HD21 H 1 0.76 0.005 . 1 . . . . . . . . 4020 1 223 . 1 1 26 26 LEU HD22 H 1 0.76 0.005 . 1 . . . . . . . . 4020 1 224 . 1 1 26 26 LEU HD23 H 1 0.76 0.005 . 1 . . . . . . . . 4020 1 225 . 1 1 26 26 LEU CD1 C 13 25.3 0.05 . 2 . . . . . . . . 4020 1 226 . 1 1 26 26 LEU CD2 C 13 23.00 0.05 . 2 . . . . . . . . 4020 1 227 . 1 1 27 27 SER H H 1 7.8 0.005 . 1 . . . . . . . . 4020 1 228 . 1 1 27 27 SER HA H 1 4.43 0.005 . 1 . . . . . . . . 4020 1 229 . 1 1 27 27 SER HB2 H 1 4.01 0.005 . 1 . . . . . . . . 4020 1 230 . 1 1 27 27 SER HB3 H 1 4.01 0.005 . 1 . . . . . . . . 4020 1 231 . 1 1 27 27 SER CA C 13 59.6 0.05 . 1 . . . . . . . . 4020 1 232 . 1 1 27 27 SER CB C 13 63.8 0.05 . 1 . . . . . . . . 4020 1 233 . 1 1 28 28 LEU H H 1 7.37 0.005 . 1 . . . . . . . . 4020 1 234 . 1 1 28 28 LEU HA H 1 4.65 0.005 . 1 . . . . . . . . 4020 1 235 . 1 1 28 28 LEU HB2 H 1 1.72 0.005 . 2 . . . . . . . . 4020 1 236 . 1 1 28 28 LEU HB3 H 1 1.66 0.005 . 2 . . . . . . . . 4020 1 237 . 1 1 28 28 LEU CA C 13 57.3 0.05 . 1 . . . . . . . . 4020 1 238 . 1 1 28 28 LEU CB C 13 43.8 0.05 . 1 . . . . . . . . 4020 1 239 . 1 1 28 28 LEU HG H 1 1.78 0.005 . 1 . . . . . . . . 4020 1 240 . 1 1 28 28 LEU CG C 13 26.4 0.05 . 1 . . . . . . . . 4020 1 241 . 1 1 28 28 LEU HD11 H 1 0.87 0.005 . 1 . . . . . . . . 4020 1 242 . 1 1 28 28 LEU HD12 H 1 0.87 0.005 . 1 . . . . . . . . 4020 1 243 . 1 1 28 28 LEU HD13 H 1 0.87 0.005 . 1 . . . . . . . . 4020 1 244 . 1 1 28 28 LEU HD21 H 1 0.87 0.005 . 1 . . . . . . . . 4020 1 245 . 1 1 28 28 LEU HD22 H 1 0.87 0.005 . 1 . . . . . . . . 4020 1 246 . 1 1 28 28 LEU HD23 H 1 0.87 0.005 . 1 . . . . . . . . 4020 1 247 . 1 1 28 28 LEU CD1 C 13 24.3 0.05 . 2 . . . . . . . . 4020 1 248 . 1 1 28 28 LEU CD2 C 13 24.7 0.05 . 2 . . . . . . . . 4020 1 249 . 1 1 29 29 CYS H H 1 7.87 0.005 . 1 . . . . . . . . 4020 1 250 . 1 1 29 29 CYS HA H 1 4.85 0.005 . 1 . . . . . . . . 4020 1 251 . 1 1 29 29 CYS HB2 H 1 3.16 0.005 . 1 . . . . . . . . 4020 1 252 . 1 1 29 29 CYS HB3 H 1 3.43 0.005 . 1 . . . . . . . . 4020 1 253 . 1 1 29 29 CYS CA C 13 56.9 0.05 . 1 . . . . . . . . 4020 1 254 . 1 1 29 29 CYS CB C 13 43.9 0.05 . 1 . . . . . . . . 4020 1 255 . 1 1 30 30 HIS H H 1 8.74 0.005 . 1 . . . . . . . . 4020 1 256 . 1 1 30 30 HIS HA H 1 4.9 0.005 . 1 . . . . . . . . 4020 1 257 . 1 1 30 30 HIS HB2 H 1 2.9 0.005 . 1 . . . . . . . . 4020 1 258 . 1 1 30 30 HIS HB3 H 1 3.1 0.005 . 1 . . . . . . . . 4020 1 259 . 1 1 30 30 HIS CB C 13 30.4 0.05 . 1 . . . . . . . . 4020 1 260 . 1 1 30 30 HIS HD2 H 1 7.05 0.005 . 1 . . . . . . . . 4020 1 261 . 1 1 30 30 HIS HE1 H 1 8.45 0.005 . 1 . . . . . . . . 4020 1 262 . 1 1 31 31 ILE H H 1 8.62 0.005 . 1 . . . . . . . . 4020 1 263 . 1 1 31 31 ILE HA H 1 4.06 0.005 . 1 . . . . . . . . 4020 1 264 . 1 1 31 31 ILE HB H 1 1.82 0.005 . 1 . . . . . . . . 4020 1 265 . 1 1 31 31 ILE CA C 13 62.00 0.05 . 1 . . . . . . . . 4020 1 266 . 1 1 31 31 ILE CB C 13 38.9 0.05 . 1 . . . . . . . . 4020 1 267 . 1 1 31 31 ILE HG12 H 1 1.56 0.005 . 2 . . . . . . . . 4020 1 268 . 1 1 31 31 ILE HG13 H 1 1.15 0.005 . 2 . . . . . . . . 4020 1 269 . 1 1 31 31 ILE CG1 C 13 28.00 0.05 . 1 . . . . . . . . 4020 1 270 . 1 1 31 31 ILE HG21 H 1 0.92 0.005 . 1 . . . . . . . . 4020 1 271 . 1 1 31 31 ILE HG22 H 1 0.92 0.005 . 1 . . . . . . . . 4020 1 272 . 1 1 31 31 ILE HG23 H 1 0.92 0.005 . 1 . . . . . . . . 4020 1 273 . 1 1 31 31 ILE CG2 C 13 17.5 0.05 . 1 . . . . . . . . 4020 1 274 . 1 1 31 31 ILE HD11 H 1 0.88 0.005 . 1 . . . . . . . . 4020 1 275 . 1 1 31 31 ILE HD12 H 1 0.88 0.005 . 1 . . . . . . . . 4020 1 276 . 1 1 31 31 ILE HD13 H 1 0.88 0.005 . 1 . . . . . . . . 4020 1 277 . 1 1 31 31 ILE CD1 C 13 13.4 0.05 . 1 . . . . . . . . 4020 1 278 . 1 1 32 32 GLU H H 1 8.51 0.005 . 1 . . . . . . . . 4020 1 279 . 1 1 32 32 GLU HA H 1 4.33 0.005 . 1 . . . . . . . . 4020 1 280 . 1 1 32 32 GLU HB2 H 1 2.05 0.005 . 2 . . . . . . . . 4020 1 281 . 1 1 32 32 GLU HB3 H 1 1.93 0.005 . 2 . . . . . . . . 4020 1 282 . 1 1 32 32 GLU CA C 13 55.9 0.05 . 1 . . . . . . . . 4020 1 283 . 1 1 32 32 GLU CB C 13 29.6 0.05 . 1 . . . . . . . . 4020 1 284 . 1 1 32 32 GLU HG2 H 1 2.32 0.005 . 1 . . . . . . . . 4020 1 285 . 1 1 32 32 GLU HG3 H 1 2.32 0.005 . 1 . . . . . . . . 4020 1 286 . 1 1 32 32 GLU CG C 13 34.9 0.05 . 1 . . . . . . . . 4020 1 stop_ save_