################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 20023 _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_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D DQF-COSY' . . . 20023 1 2 '2D 1H-1H TOCSY' . . . 20023 1 3 '2D 1H-1H NOESY' . . . 20023 1 5 '2D 1H-13C HSQC' . . . 20023 1 6 '2D 1H-13C HMQC' . . . 20023 1 7 '2D 1H-13C HMQC-TOCSY' . . . 20023 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 PCA H H 1 7.75 0.02 . 1 . . . . 1 PGLU H . 20023 1 2 . 1 1 1 1 PCA HA H 1 4.28 0.02 . 1 . . . . 1 PGLU HA . 20023 1 3 . 1 1 1 1 PCA HB2 H 1 2.02 0.02 . 2 . . . . 1 PGLU HB2 . 20023 1 4 . 1 1 1 1 PCA HB3 H 1 2.42 0.02 . 2 . . . . 1 PGLU HB3 . 20023 1 5 . 1 1 1 1 PCA HG2 H 1 2.19 0.02 . 2 . . . . 1 PGLU HG2 . 20023 1 6 . 1 1 1 1 PCA HG3 H 1 2.42 0.02 . 2 . . . . 1 PGLU HG3 . 20023 1 7 . 1 1 1 1 PCA CA C 13 59.7 0.2 . 1 . . . . 1 PGLU CA . 20023 1 8 . 1 1 1 1 PCA CB C 13 28.2 0.2 . 1 . . . . 1 PGLU CB . 20023 1 9 . 1 1 1 1 PCA CG C 13 32.1 0.2 . 1 . . . . 1 PGLU CG . 20023 1 10 . 1 1 1 1 PCA N N 15 124.8 0.2 . 1 . . . . 1 PGLU N . 20023 1 11 . 1 1 2 2 ASN H H 1 8.70 0.02 . 1 . . . . 2 ASN H . 20023 1 12 . 1 1 2 2 ASN HA H 1 4.76 0.02 . 1 . . . . 2 ASN HA . 20023 1 13 . 1 1 2 2 ASN HB2 H 1 2.77 0.02 . 2 . . . . 2 ASN HB2 . 20023 1 14 . 1 1 2 2 ASN HB3 H 1 2.96 0.02 . 2 . . . . 2 ASN HB3 . 20023 1 15 . 1 1 2 2 ASN HD21 H 1 6.97 0.02 . 2 . . . . 2 ASN HD21 . 20023 1 16 . 1 1 2 2 ASN HD22 H 1 7.64 0.02 . 2 . . . . 2 ASN HD22 . 20023 1 17 . 1 1 2 2 ASN CA C 13 53.1 0.2 . 1 . . . . 2 ASN CA . 20023 1 18 . 1 1 2 2 ASN CB C 13 38.3 0.2 . 1 . . . . 2 ASN CB . 20023 1 19 . 1 1 2 2 ASN N N 15 119.5 0.2 . 1 . . . . 2 ASN N . 20023 1 20 . 1 1 2 2 ASN ND2 N 15 112.7 0.2 . 1 . . . . 2 ASN ND2 . 20023 1 21 . 1 1 3 3 CYS H H 1 8.64 0.02 . 1 . . . . 3 CYS H . 20023 1 22 . 1 1 3 3 CYS HA H 1 4.45 0.02 . 1 . . . . 3 CYS HA . 20023 1 23 . 1 1 3 3 CYS HB2 H 1 2.87 0.02 . 2 . . . . 3 CYS HB2 . 20023 1 24 . 1 1 3 3 CYS HB3 H 1 2.87 0.02 . 2 . . . . 3 CYS HB3 . 20023 1 25 . 1 1 3 3 CYS CA C 13 57.2 0.2 . 1 . . . . 3 CYS CA . 20023 1 26 . 1 1 3 3 CYS CB C 13 38.1 0.2 . 1 . . . . 3 CYS CB . 20023 1 27 . 1 1 3 3 CYS N N 15 118.9 0.2 . 1 . . . . 3 CYS N . 20023 1 28 . 1 1 4 4 CYS H H 1 8.26 0.02 . 1 . . . . 4 CYS H . 20023 1 29 . 1 1 4 4 CYS HA H 1 4.65 0.02 . 1 . . . . 4 CYS HA . 20023 1 30 . 1 1 4 4 CYS HB2 H 1 2.77 0.02 . 2 . . . . 4 CYS HB2 . 20023 1 31 . 1 1 4 4 CYS HB3 H 1 3.53 0.02 . 2 . . . . 4 CYS HB3 . 20023 1 32 . 1 1 4 4 CYS CA C 13 54.8 0.2 . 1 . . . . 4 CYS CA . 20023 1 33 . 1 1 4 4 CYS CB C 13 37.9 0.2 . 1 . . . . 4 CYS CB . 20023 1 34 . 1 1 4 4 CYS N N 15 113.1 0.2 . 1 . . . . 4 CYS N . 20023 1 35 . 1 1 5 5 ASN H H 1 8.01 0.02 . 1 . . . . 5 ASN H . 20023 1 36 . 1 1 5 5 ASN HA H 1 5.01 0.02 . 1 . . . . 5 ASN HA . 20023 1 37 . 1 1 5 5 ASN HB2 H 1 2.61 0.02 . 2 . . . . 5 ASN HB2 . 20023 1 38 . 1 1 5 5 ASN HB3 H 1 2.88 0.02 . 2 . . . . 5 ASN HB3 . 20023 1 39 . 1 1 5 5 ASN HD21 H 1 6.87 0.02 . 2 . . . . 5 ASN HD21 . 20023 1 40 . 1 1 5 5 ASN HD22 H 1 7.60 0.02 . 2 . . . . 5 ASN HD22 . 20023 1 41 . 1 1 5 5 ASN CA C 13 52.3 0.2 . 1 . . . . 5 ASN CA . 20023 1 42 . 1 1 5 5 ASN CB C 13 38.4 0.2 . 1 . . . . 5 ASN CB . 20023 1 43 . 1 1 5 5 ASN N N 15 119.9 0.2 . 1 . . . . 5 ASN N . 20023 1 44 . 1 1 5 5 ASN ND2 N 15 112.3 0.2 . 1 . . . . 5 ASN ND2 . 20023 1 45 . 1 1 6 6 GLY H H 1 8.24 0.02 . 1 . . . . 6 GLY H . 20023 1 46 . 1 1 6 6 GLY HA2 H 1 3.92 0.02 . 2 . . . . 6 GLY HA2 . 20023 1 47 . 1 1 6 6 GLY HA3 H 1 4.28 0.02 . 2 . . . . 6 GLY HA3 . 20023 1 48 . 1 1 6 6 GLY CA C 13 46.0 0.2 . 1 . . . . 6 GLY CA . 20023 1 49 . 1 1 6 6 GLY N N 15 107.8 0.2 . 1 . . . . 6 GLY N . 20023 1 50 . 1 1 7 7 GLY H H 1 7.62 0.02 . 1 . . . . 7 GLY H . 20023 1 51 . 1 1 7 7 GLY HA2 H 1 3.94 0.02 . 2 . . . . 7 GLY HA2 . 20023 1 52 . 1 1 7 7 GLY HA3 H 1 4.50 0.02 . 2 . . . . 7 GLY HA3 . 20023 1 53 . 1 1 7 7 GLY CA C 13 46.4 0.2 . 1 . . . . 7 GLY CA . 20023 1 54 . 1 1 7 7 GLY N N 15 108.0 0.2 . 1 . . . . 7 GLY N . 20023 1 55 . 1 1 8 8 CYS H H 1 8.36 0.02 . 1 . . . . 8 CYS H . 20023 1 56 . 1 1 8 8 CYS HA H 1 4.48 0.02 . 1 . . . . 8 CYS HA . 20023 1 57 . 1 1 8 8 CYS HB2 H 1 3.02 0.02 . 2 . . . . 8 CYS HB2 . 20023 1 58 . 1 1 8 8 CYS HB3 H 1 3.30 0.02 . 2 . . . . 8 CYS HB3 . 20023 1 59 . 1 1 8 8 CYS CA C 13 56.2 0.2 . 1 . . . . 8 CYS CA . 20023 1 60 . 1 1 8 8 CYS CB C 13 36.5 0.2 . 1 . . . . 8 CYS CB . 20023 1 61 . 1 1 8 8 CYS N N 15 116.6 0.2 . 1 . . . . 8 CYS N . 20023 1 62 . 1 1 9 9 SER H H 1 8.23 0.02 . 1 . . . . 9 SER H . 20023 1 63 . 1 1 9 9 SER HA H 1 4.32 0.02 . 1 . . . . 9 SER HA . 20023 1 64 . 1 1 9 9 SER HB2 H 1 3.89 0.02 . 2 . . . . 9 SER HB2 . 20023 1 65 . 1 1 9 9 SER HB3 H 1 3.97 0.02 . 2 . . . . 9 SER HB3 . 20023 1 66 . 1 1 9 9 SER CA C 13 59.9 0.2 . 1 . . . . 9 SER CA . 20023 1 67 . 1 1 9 9 SER CB C 13 63.0 0.2 . 1 . . . . 9 SER CB . 20023 1 68 . 1 1 9 9 SER N N 15 113.2 0.2 . 1 . . . . 9 SER N . 20023 1 69 . 1 1 10 10 SER H H 1 7.89 0.02 . 1 . . . . 10 SER H . 20023 1 70 . 1 1 10 10 SER HA H 1 4.64 0.02 . 1 . . . . 10 SER HA . 20023 1 71 . 1 1 10 10 SER HB2 H 1 4.04 0.02 . 2 . . . . 10 SER HB2 . 20023 1 72 . 1 1 10 10 SER HB3 H 1 4.28 0.02 . 2 . . . . 10 SER HB3 . 20023 1 73 . 1 1 10 10 SER CA C 13 57.1 0.2 . 1 . . . . 10 SER CA . 20023 1 74 . 1 1 10 10 SER CB C 13 65.0 0.2 . 1 . . . . 10 SER CB . 20023 1 75 . 1 1 10 10 SER N N 15 117.9 0.2 . 1 . . . . 10 SER N . 20023 1 76 . 1 1 11 11 LYS H H 1 8.98 0.02 . 1 . . . . 11 LYS H . 20023 1 77 . 1 1 11 11 LYS HA H 1 3.86 0.02 . 1 . . . . 11 LYS HA . 20023 1 78 . 1 1 11 11 LYS HB2 H 1 1.91 0.02 . 2 . . . . 11 LYS HB2 . 20023 1 79 . 1 1 11 11 LYS HB3 H 1 1.91 0.02 . 2 . . . . 11 LYS HB3 . 20023 1 80 . 1 1 11 11 LYS HD2 H 1 1.66 0.02 . 2 . . . . 11 LYS HD2 . 20023 1 81 . 1 1 11 11 LYS HD3 H 1 1.75 0.02 . 2 . . . . 11 LYS HD3 . 20023 1 82 . 1 1 11 11 LYS HE2 H 1 3.03 0.02 . 2 . . . . 11 LYS HE2 . 20023 1 83 . 1 1 11 11 LYS HE3 H 1 3.03 0.02 . 2 . . . . 11 LYS HE3 . 20023 1 84 . 1 1 11 11 LYS HG2 H 1 1.44 0.02 . 2 . . . . 11 LYS HG2 . 20023 1 85 . 1 1 11 11 LYS HG3 H 1 1.44 0.02 . 2 . . . . 11 LYS HG3 . 20023 1 86 . 1 1 11 11 LYS CA C 13 59.9 0.2 . 1 . . . . 11 LYS CA . 20023 1 87 . 1 1 11 11 LYS CB C 13 32.5 0.2 . 1 . . . . 11 LYS CB . 20023 1 88 . 1 1 11 11 LYS CD C 13 29.0 0.2 . 1 . . . . 11 LYS CD . 20023 1 89 . 1 1 11 11 LYS CE C 13 42.3 0.2 . 1 . . . . 11 LYS CE . 20023 1 90 . 1 1 11 11 LYS CG C 13 25.1 0.2 . 1 . . . . 11 LYS CG . 20023 1 91 . 1 1 11 11 LYS N N 15 127.4 0.2 . 1 . . . . 11 LYS N . 20023 1 92 . 1 1 12 12 TRP H H 1 8.72 0.02 . 1 . . . . 12 TRP H . 20023 1 93 . 1 1 12 12 TRP HA H 1 4.30 0.02 . 1 . . . . 12 TRP HA . 20023 1 94 . 1 1 12 12 TRP HB2 H 1 3.20 0.02 . 2 . . . . 12 TRP HB2 . 20023 1 95 . 1 1 12 12 TRP HB3 H 1 3.41 0.02 . 2 . . . . 12 TRP HB3 . 20023 1 96 . 1 1 12 12 TRP HD1 H 1 7.21 0.02 . 1 . . . . 12 TRP HD1 . 20023 1 97 . 1 1 12 12 TRP HE1 H 1 10.01 0.02 . 1 . . . . 12 TRP HE1 . 20023 1 98 . 1 1 12 12 TRP HE3 H 1 7.36 0.02 . 1 . . . . 12 TRP HE3 . 20023 1 99 . 1 1 12 12 TRP HH2 H 1 7.07 0.02 . 1 . . . . 12 TRP HH2 . 20023 1 100 . 1 1 12 12 TRP HZ2 H 1 7.13 0.02 . 1 . . . . 12 TRP HZ2 . 20023 1 101 . 1 1 12 12 TRP HZ3 H 1 7.12 0.02 . 1 . . . . 12 TRP HZ3 . 20023 1 102 . 1 1 12 12 TRP CA C 13 62.8 0.2 . 1 . . . . 12 TRP CA . 20023 1 103 . 1 1 12 12 TRP CB C 13 29.5 0.2 . 1 . . . . 12 TRP CB . 20023 1 104 . 1 1 12 12 TRP CD1 C 13 127.2 0.2 . 1 . . . . 12 TRP CD1 . 20023 1 105 . 1 1 12 12 TRP CE3 C 13 121.0 0.2 . 1 . . . . 12 TRP CE3 . 20023 1 106 . 1 1 12 12 TRP CZ2 C 13 114.6 0.2 . 1 . . . . 12 TRP CZ2 . 20023 1 107 . 1 1 12 12 TRP CZ3 C 13 122.5 0.2 . 1 . . . . 12 TRP CZ3 . 20023 1 108 . 1 1 12 12 TRP N N 15 117.4 0.2 . 1 . . . . 12 TRP N . 20023 1 109 . 1 1 12 12 TRP NE1 N 15 130.0 0.2 . 1 . . . . 12 TRP NE1 . 20023 1 110 . 1 1 13 13 CYS H H 1 7.91 0.02 . 1 . . . . 13 CYS H . 20023 1 111 . 1 1 13 13 CYS HA H 1 4.45 0.02 . 1 . . . . 13 CYS HA . 20023 1 112 . 1 1 13 13 CYS HB2 H 1 3.29 0.02 . 2 . . . . 13 CYS HB2 . 20023 1 113 . 1 1 13 13 CYS HB3 H 1 3.29 0.02 . 2 . . . . 13 CYS HB3 . 20023 1 114 . 1 1 13 13 CYS CA C 13 57.6 0.2 . 1 . . . . 13 CYS CA . 20023 1 115 . 1 1 13 13 CYS CB C 13 37.1 0.2 . 1 . . . . 13 CYS CB . 20023 1 116 . 1 1 13 13 CYS N N 15 116.7 0.2 . 1 . . . . 13 CYS N . 20023 1 117 . 1 1 14 14 ARG H H 1 8.34 0.02 . 1 . . . . 14 ARG H . 20023 1 118 . 1 1 14 14 ARG HA H 1 3.82 0.02 . 1 . . . . 14 ARG HA . 20023 1 119 . 1 1 14 14 ARG HB2 H 1 1.93 0.02 . 2 . . . . 14 ARG HB2 . 20023 1 120 . 1 1 14 14 ARG HB3 H 1 1.93 0.02 . 2 . . . . 14 ARG HB3 . 20023 1 121 . 1 1 14 14 ARG HD2 H 1 3.18 0.02 . 2 . . . . 14 ARG HD2 . 20023 1 122 . 1 1 14 14 ARG HD3 H 1 3.24 0.02 . 2 . . . . 14 ARG HD3 . 20023 1 123 . 1 1 14 14 ARG HE H 1 7.12 0.02 . 1 . . . . 14 ARG HE . 20023 1 124 . 1 1 14 14 ARG HG2 H 1 1.62 0.02 . 2 . . . . 14 ARG HG2 . 20023 1 125 . 1 1 14 14 ARG HG3 H 1 1.62 0.02 . 2 . . . . 14 ARG HG3 . 20023 1 126 . 1 1 14 14 ARG CA C 13 60.1 0.2 . 1 . . . . 14 ARG CA . 20023 1 127 . 1 1 14 14 ARG CB C 13 29.8 0.2 . 1 . . . . 14 ARG CB . 20023 1 128 . 1 1 14 14 ARG CD C 13 43.8 0.2 . 1 . . . . 14 ARG CD . 20023 1 129 . 1 1 14 14 ARG CG C 13 28.1 0.2 . 1 . . . . 14 ARG CG . 20023 1 130 . 1 1 14 14 ARG N N 15 120.9 0.2 . 1 . . . . 14 ARG N . 20023 1 131 . 1 1 14 14 ARG NE N 15 84.7 0.2 . 1 . . . . 14 ARG NE . 20023 1 132 . 1 1 15 15 ASP H H 1 7.97 0.02 . 1 . . . . 15 ASP H . 20023 1 133 . 1 1 15 15 ASP HA H 1 4.32 0.02 . 1 . . . . 15 ASP HA . 20023 1 134 . 1 1 15 15 ASP HB2 H 1 1.87 0.02 . 2 . . . . 15 ASP HB2 . 20023 1 135 . 1 1 15 15 ASP HB3 H 1 2.26 0.02 . 2 . . . . 15 ASP HB3 . 20023 1 136 . 1 1 15 15 ASP CA C 13 55.7 0.2 . 1 . . . . 15 ASP CA . 20023 1 137 . 1 1 15 15 ASP CB C 13 41.0 0.2 . 1 . . . . 15 ASP CB . 20023 1 138 . 1 1 15 15 ASP N N 15 116.1 0.2 . 1 . . . . 15 ASP N . 20023 1 139 . 1 1 16 16 HIS H H 1 7.51 0.02 . 1 . . . . 16 HIS H . 20023 1 140 . 1 1 16 16 HIS HA H 1 4.45 0.02 . 1 . . . . 16 HIS HA . 20023 1 141 . 1 1 16 16 HIS HB2 H 1 1.43 0.02 . 2 . . . . 16 HIS HB2 . 20023 1 142 . 1 1 16 16 HIS HB3 H 1 2.63 0.02 . 2 . . . . 16 HIS HB3 . 20023 1 143 . 1 1 16 16 HIS HD2 H 1 6.42 0.02 . 1 . . . . 16 HIS HD2 . 20023 1 144 . 1 1 16 16 HIS HE1 H 1 8.33 0.02 . 1 . . . . 16 HIS HE1 . 20023 1 145 . 1 1 16 16 HIS CA C 13 57.2 0.2 . 1 . . . . 16 HIS CA . 20023 1 146 . 1 1 16 16 HIS CB C 13 29.9 0.2 . 1 . . . . 16 HIS CB . 20023 1 147 . 1 1 16 16 HIS CD2 C 13 120.4 0.2 . 1 . . . . 16 HIS CD2 . 20023 1 148 . 1 1 16 16 HIS CE1 C 13 135.9 0.2 . 1 . . . . 16 HIS CE1 . 20023 1 149 . 1 1 16 16 HIS N N 15 112.8 0.2 . 1 . . . . 16 HIS N . 20023 1 150 . 1 1 17 17 ALA H H 1 8.46 0.02 . 1 . . . . 17 ALA H . 20023 1 151 . 1 1 17 17 ALA HA H 1 4.78 0.02 . 1 . . . . 17 ALA HA . 20023 1 152 . 1 1 17 17 ALA HB1 H 1 1.56 0.02 . 1 . . . . 17 ALA MB . 20023 1 153 . 1 1 17 17 ALA HB2 H 1 1.56 0.02 . 1 . . . . 17 ALA MB . 20023 1 154 . 1 1 17 17 ALA HB3 H 1 1.56 0.02 . 1 . . . . 17 ALA MB . 20023 1 155 . 1 1 17 17 ALA CA C 13 51.8 0.2 . 1 . . . . 17 ALA CA . 20023 1 156 . 1 1 17 17 ALA CB C 13 20.9 0.2 . 1 . . . . 17 ALA CB . 20023 1 157 . 1 1 17 17 ALA N N 15 123.6 0.2 . 1 . . . . 17 ALA N . 20023 1 158 . 1 1 18 18 ARG H H 1 9.17 0.02 . 1 . . . . 18 ARG H . 20023 1 159 . 1 1 18 18 ARG HA H 1 4.03 0.02 . 1 . . . . 18 ARG HA . 20023 1 160 . 1 1 18 18 ARG HB2 H 1 1.90 0.02 . 2 . . . . 18 ARG HB2 . 20023 1 161 . 1 1 18 18 ARG HB3 H 1 1.90 0.02 . 2 . . . . 18 ARG HB3 . 20023 1 162 . 1 1 18 18 ARG HD2 H 1 3.22 0.02 . 2 . . . . 18 ARG HD2 . 20023 1 163 . 1 1 18 18 ARG HD3 H 1 3.22 0.02 . 2 . . . . 18 ARG HD3 . 20023 1 164 . 1 1 18 18 ARG HE H 1 7.21 0.02 . 1 . . . . 18 ARG HE . 20023 1 165 . 1 1 18 18 ARG HG2 H 1 1.72 0.02 . 2 . . . . 18 ARG HG2 . 20023 1 166 . 1 1 18 18 ARG HG3 H 1 1.72 0.02 . 2 . . . . 18 ARG HG3 . 20023 1 167 . 1 1 18 18 ARG CA C 13 59.2 0.2 . 1 . . . . 18 ARG CA . 20023 1 168 . 1 1 18 18 ARG CB C 13 29.6 0.2 . 1 . . . . 18 ARG CB . 20023 1 169 . 1 1 18 18 ARG CD C 13 43.2 0.2 . 1 . . . . 18 ARG CD . 20023 1 170 . 1 1 18 18 ARG CG C 13 27.3 0.2 . 1 . . . . 18 ARG CG . 20023 1 171 . 1 1 18 18 ARG N N 15 129.8 0.2 . 1 . . . . 18 ARG N . 20023 1 172 . 1 1 18 18 ARG NE N 15 84.4 0.2 . 1 . . . . 18 ARG NE . 20023 1 173 . 1 1 19 19 CYS H H 1 8.55 0.02 . 1 . . . . 19 CYS H . 20023 1 174 . 1 1 19 19 CYS HA H 1 4.55 0.02 . 1 . . . . 19 CYS HA . 20023 1 175 . 1 1 19 19 CYS HB2 H 1 3.02 0.02 . 2 . . . . 19 CYS HB2 . 20023 1 176 . 1 1 19 19 CYS HB3 H 1 3.96 0.02 . 2 . . . . 19 CYS HB3 . 20023 1 177 . 1 1 19 19 CYS CA C 13 56.8 0.2 . 1 . . . . 19 CYS CA . 20023 1 178 . 1 1 19 19 CYS CB C 13 43.3 0.2 . 1 . . . . 19 CYS CB . 20023 1 179 . 1 1 19 19 CYS N N 15 114.2 0.2 . 1 . . . . 19 CYS N . 20023 1 180 . 1 1 20 20 CYS H H 1 7.68 0.02 . 1 . . . . 20 CYS-NH2 H . 20023 1 181 . 1 1 20 20 CYS HA H 1 4.96 0.02 . 1 . . . . 20 CYS-NH2 HA . 20023 1 182 . 1 1 20 20 CYS HB2 H 1 2.90 0.02 . 2 . . . . 20 CYS-NH2 HB2 . 20023 1 183 . 1 1 20 20 CYS HB3 H 1 3.24 0.02 . 2 . . . . 20 CYS-NH2 HB3 . 20023 1 184 . 1 1 20 20 CYS CA C 13 53.0 0.2 . 1 . . . . 20 CYS-NH2 CA . 20023 1 185 . 1 1 20 20 CYS CB C 13 37.3 0.2 . 1 . . . . 20 CYS-NH2 CB . 20023 1 186 . 1 1 20 20 CYS N N 15 119.2 0.2 . 1 . . . . 20 CYS-NH2 N . 20023 1 187 . 1 1 21 21 NH2 HN1 H 1 7.18 0.02 . 1 . . . . 20 CYS-NH2 HE1 . 20023 1 188 . 1 1 21 21 NH2 HN2 H 1 7.37 0.02 . 1 . . . . 20 CYS-NH2 HE2 . 20023 1 189 . 1 1 21 21 NH2 NE N 15 107.7 0.2 . 1 . . . . 20 CYS-NH2 NE . 20023 1 stop_ save_