################################### # 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30758 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 1H-1H TOCSY' . . . 30758 1 2 '2D 1H-1H NOESY' . . . 30758 1 3 '2D 1H-15N HSQC' . . . 30758 1 4 '2D 1H-1H TOCSY' . . . 30758 1 5 '2D 1H-1H NOESY' . . . 30758 1 6 '2D 1H-13C HSQC' . . . 30758 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 ARG HA H 1 4.016 0.011 . . . . . . A 1 ARG HA . 30758 1 2 . 1 . 1 1 1 ARG HB2 H 1 1.855 0.007 . . . . . . A 1 ARG HB2 . 30758 1 3 . 1 . 1 1 1 ARG HB3 H 1 1.855 0.007 . . . . . . A 1 ARG HB3 . 30758 1 4 . 1 . 1 1 1 ARG HG2 H 1 1.581 0.009 . . . . . . A 1 ARG HG2 . 30758 1 5 . 1 . 1 1 1 ARG HG3 H 1 1.581 0.009 . . . . . . A 1 ARG HG3 . 30758 1 6 . 1 . 1 1 1 ARG HD2 H 1 3.076 0.001 . . . . . . A 1 ARG HD2 . 30758 1 7 . 1 . 1 1 1 ARG HD3 H 1 3.076 0.001 . . . . . . A 1 ARG HD3 . 30758 1 8 . 1 . 1 1 1 ARG HE H 1 7.043 0.002 . . . . . . A 1 ARG HE . 30758 1 9 . 1 . 1 1 1 ARG CA C 13 55.516 0.000 . . . . . . A 1 ARG CA . 30758 1 10 . 1 . 1 1 1 ARG CB C 13 30.618 0.000 . . . . . . A 1 ARG CB . 30758 1 11 . 1 . 1 1 1 ARG CG C 13 26.128 0.000 . . . . . . A 1 ARG CG . 30758 1 12 . 1 . 1 1 1 ARG CD C 13 43.012 0.000 . . . . . . A 1 ARG CD . 30758 1 13 . 1 . 1 2 2 GLY H H 1 8.117 0.001 . . . . . . A 2 GLY H . 30758 1 14 . 1 . 1 2 2 GLY HA2 H 1 4.045 0.003 . . . . . . A 2 GLY HA2 . 30758 1 15 . 1 . 1 2 2 GLY HA3 H 1 3.934 0.002 . . . . . . A 2 GLY HA3 . 30758 1 16 . 1 . 1 2 2 GLY CA C 13 46.985 0.007 . . . . . . A 2 GLY CA . 30758 1 17 . 1 . 1 2 2 GLY N N 15 109.262 0.000 . . . . . . A 2 GLY N . 30758 1 18 . 1 . 1 3 3 CYS H H 1 8.536 0.001 . . . . . . A 3 CYS H . 30758 1 19 . 1 . 1 3 3 CYS HA H 1 4.921 0.005 . . . . . . A 3 CYS HA . 30758 1 20 . 1 . 1 3 3 CYS HB2 H 1 2.827 0.004 . . . . . . A 3 CYS HB2 . 30758 1 21 . 1 . 1 3 3 CYS HB3 H 1 3.023 0.003 . . . . . . A 3 CYS HB3 . 30758 1 22 . 1 . 1 3 3 CYS CA C 13 55.076 0.000 . . . . . . A 3 CYS CA . 30758 1 23 . 1 . 1 3 3 CYS CB C 13 39.414 0.003 . . . . . . A 3 CYS CB . 30758 1 24 . 1 . 1 3 3 CYS N N 15 117.960 0.000 . . . . . . A 3 CYS N . 30758 1 25 . 1 . 1 4 4 CYS H H 1 8.280 0.001 . . . . . . A 4 CYS H . 30758 1 26 . 1 . 1 4 4 CYS HA H 1 4.503 0.002 . . . . . . A 4 CYS HA . 30758 1 27 . 1 . 1 4 4 CYS HB2 H 1 3.039 0.004 . . . . . . A 4 CYS HB2 . 30758 1 28 . 1 . 1 4 4 CYS HB3 H 1 3.643 0.002 . . . . . . A 4 CYS HB3 . 30758 1 29 . 1 . 1 4 4 CYS CA C 13 54.521 0.000 . . . . . . A 4 CYS CA . 30758 1 30 . 1 . 1 4 4 CYS CB C 13 40.538 0.002 . . . . . . A 4 CYS CB . 30758 1 31 . 1 . 1 4 4 CYS N N 15 111.958 0.000 . . . . . . A 4 CYS N . 30758 1 32 . 1 . 1 5 5 ASN H H 1 8.012 0.001 . . . . . . A 5 ASN H . 30758 1 33 . 1 . 1 5 5 ASN HA H 1 4.791 0.017 . . . . . . A 5 ASN HA . 30758 1 34 . 1 . 1 5 5 ASN HB2 H 1 2.744 0.010 . . . . . . A 5 ASN HB2 . 30758 1 35 . 1 . 1 5 5 ASN HB3 H 1 2.770 0.001 . . . . . . A 5 ASN HB3 . 30758 1 36 . 1 . 1 5 5 ASN HD21 H 1 7.541 0.000 . . . . . . A 5 ASN HD21 . 30758 1 37 . 1 . 1 5 5 ASN HD22 H 1 6.899 0.001 . . . . . . A 5 ASN HD22 . 30758 1 38 . 1 . 1 5 5 ASN CA C 13 52.897 0.000 . . . . . . A 5 ASN CA . 30758 1 39 . 1 . 1 5 5 ASN CB C 13 38.635 0.000 . . . . . . A 5 ASN CB . 30758 1 40 . 1 . 1 5 5 ASN N N 15 118.553 0.000 . . . . . . A 5 ASN N . 30758 1 41 . 1 . 1 6 6 GLY H H 1 8.409 0.005 . . . . . . A 6 GLY H . 30758 1 42 . 1 . 1 6 6 GLY HA2 H 1 4.125 0.001 . . . . . . A 6 GLY HA2 . 30758 1 43 . 1 . 1 6 6 GLY HA3 H 1 3.835 0.001 . . . . . . A 6 GLY HA3 . 30758 1 44 . 1 . 1 6 6 GLY CA C 13 44.826 0.004 . . . . . . A 6 GLY CA . 30758 1 45 . 1 . 1 6 6 GLY N N 15 110.248 0.000 . . . . . . A 6 GLY N . 30758 1 46 . 1 . 1 7 7 ARG H H 1 8.591 0.002 . . . . . . A 7 ARG H . 30758 1 47 . 1 . 1 7 7 ARG HA H 1 4.238 0.004 . . . . . . A 7 ARG HA . 30758 1 48 . 1 . 1 7 7 ARG HB2 H 1 1.739 0.004 . . . . . . A 7 ARG HB2 . 30758 1 49 . 1 . 1 7 7 ARG HB3 H 1 1.838 0.003 . . . . . . A 7 ARG HB3 . 30758 1 50 . 1 . 1 7 7 ARG HG2 H 1 1.597 0.003 . . . . . . A 7 ARG HG2 . 30758 1 51 . 1 . 1 7 7 ARG HG3 H 1 1.664 0.001 . . . . . . A 7 ARG HG3 . 30758 1 52 . 1 . 1 7 7 ARG HD2 H 1 3.190 0.002 . . . . . . A 7 ARG HD2 . 30758 1 53 . 1 . 1 7 7 ARG HD3 H 1 3.187 0.007 . . . . . . A 7 ARG HD3 . 30758 1 54 . 1 . 1 7 7 ARG HE H 1 7.164 0.004 . . . . . . A 7 ARG HE . 30758 1 55 . 1 . 1 7 7 ARG CA C 13 56.986 0.000 . . . . . . A 7 ARG CA . 30758 1 56 . 1 . 1 7 7 ARG CB C 13 29.905 0.015 . . . . . . A 7 ARG CB . 30758 1 57 . 1 . 1 7 7 ARG CG C 13 27.005 0.004 . . . . . . A 7 ARG CG . 30758 1 58 . 1 . 1 7 7 ARG CD C 13 42.973 0.000 . . . . . . A 7 ARG CD . 30758 1 59 . 1 . 1 7 7 ARG N N 15 121.496 0.000 . . . . . . A 7 ARG N . 30758 1 60 . 1 . 1 8 8 GLY H H 1 8.737 0.002 . . . . . . A 8 GLY H . 30758 1 61 . 1 . 1 8 8 GLY HA2 H 1 4.018 0.000 . . . . . . A 8 GLY HA2 . 30758 1 62 . 1 . 1 8 8 GLY HA3 H 1 4.018 0.000 . . . . . . A 8 GLY HA3 . 30758 1 63 . 1 . 1 8 8 GLY CA C 13 45.480 0.000 . . . . . . A 8 GLY CA . 30758 1 64 . 1 . 1 8 8 GLY N N 15 110.283 0.000 . . . . . . A 8 GLY N . 30758 1 65 . 1 . 1 9 9 GLY H H 1 8.783 0.003 . . . . . . A 9 GLY H . 30758 1 66 . 1 . 1 9 9 GLY HA2 H 1 4.108 0.012 . . . . . . A 9 GLY HA2 . 30758 1 67 . 1 . 1 9 9 GLY HA3 H 1 4.091 0.013 . . . . . . A 9 GLY HA3 . 30758 1 68 . 1 . 1 9 9 GLY CA C 13 44.950 0.000 . . . . . . A 9 GLY CA . 30758 1 69 . 1 . 1 9 9 GLY N N 15 111.667 0.000 . . . . . . A 9 GLY N . 30758 1 70 . 1 . 1 10 10 CYS H H 1 8.535 0.001 . . . . . . A 10 CYS H . 30758 1 71 . 1 . 1 10 10 CYS HA H 1 4.814 0.012 . . . . . . A 10 CYS HA . 30758 1 72 . 1 . 1 10 10 CYS HB2 H 1 2.825 0.003 . . . . . . A 10 CYS HB2 . 30758 1 73 . 1 . 1 10 10 CYS HB3 H 1 3.330 0.002 . . . . . . A 10 CYS HB3 . 30758 1 74 . 1 . 1 10 10 CYS CA C 13 55.142 0.000 . . . . . . A 10 CYS CA . 30758 1 75 . 1 . 1 10 10 CYS CB C 13 39.462 0.052 . . . . . . A 10 CYS CB . 30758 1 76 . 1 . 1 10 10 CYS N N 15 117.467 0.000 . . . . . . A 10 CYS N . 30758 1 77 . 1 . 1 11 11 SER H H 1 7.960 0.001 . . . . . . A 11 SER H . 30758 1 78 . 1 . 1 11 11 SER HA H 1 4.312 0.005 . . . . . . A 11 SER HA . 30758 1 79 . 1 . 1 11 11 SER HB2 H 1 3.918 0.000 . . . . . . A 11 SER HB2 . 30758 1 80 . 1 . 1 11 11 SER HB3 H 1 3.944 0.002 . . . . . . A 11 SER HB3 . 30758 1 81 . 1 . 1 11 11 SER CA C 13 59.924 0.000 . . . . . . A 11 SER CA . 30758 1 82 . 1 . 1 11 11 SER CB C 13 63.459 0.001 . . . . . . A 11 SER CB . 30758 1 83 . 1 . 1 12 12 SER H H 1 7.956 0.008 . . . . . . A 12 SER H . 30758 1 84 . 1 . 1 12 12 SER HA H 1 4.597 0.003 . . . . . . A 12 SER HA . 30758 1 85 . 1 . 1 12 12 SER HB2 H 1 4.005 0.009 . . . . . . A 12 SER HB2 . 30758 1 86 . 1 . 1 12 12 SER HB3 H 1 4.283 0.008 . . . . . . A 12 SER HB3 . 30758 1 87 . 1 . 1 12 12 SER CA C 13 56.661 0.000 . . . . . . A 12 SER CA . 30758 1 88 . 1 . 1 12 12 SER CB C 13 64.847 0.007 . . . . . . A 12 SER CB . 30758 1 89 . 1 . 1 13 13 ARG H H 1 8.976 0.002 . . . . . . A 13 ARG H . 30758 1 90 . 1 . 1 13 13 ARG HA H 1 3.862 0.002 . . . . . . A 13 ARG HA . 30758 1 91 . 1 . 1 13 13 ARG HB2 H 1 1.914 0.003 . . . . . . A 13 ARG HB2 . 30758 1 92 . 1 . 1 13 13 ARG HB3 H 1 1.914 0.003 . . . . . . A 13 ARG HB3 . 30758 1 93 . 1 . 1 13 13 ARG HG2 H 1 1.652 0.001 . . . . . . A 13 ARG HG2 . 30758 1 94 . 1 . 1 13 13 ARG HG3 H 1 1.715 0.000 . . . . . . A 13 ARG HG3 . 30758 1 95 . 1 . 1 13 13 ARG HD2 H 1 3.209 0.003 . . . . . . A 13 ARG HD2 . 30758 1 96 . 1 . 1 13 13 ARG HD3 H 1 3.209 0.003 . . . . . . A 13 ARG HD3 . 30758 1 97 . 1 . 1 13 13 ARG HE H 1 7.495 0.002 . . . . . . A 13 ARG HE . 30758 1 98 . 1 . 1 13 13 ARG CA C 13 58.933 0.000 . . . . . . A 13 ARG CA . 30758 1 99 . 1 . 1 13 13 ARG CB C 13 29.700 0.000 . . . . . . A 13 ARG CB . 30758 1 100 . 1 . 1 13 13 ARG CG C 13 26.659 0.008 . . . . . . A 13 ARG CG . 30758 1 101 . 1 . 1 13 13 ARG CD C 13 42.987 0.000 . . . . . . A 13 ARG CD . 30758 1 102 . 1 . 1 13 13 ARG N N 15 125.875 0.000 . . . . . . A 13 ARG N . 30758 1 103 . 1 . 1 14 14 TRP H H 1 8.722 0.002 . . . . . . A 14 TRP H . 30758 1 104 . 1 . 1 14 14 TRP HA H 1 4.263 0.005 . . . . . . A 14 TRP HA . 30758 1 105 . 1 . 1 14 14 TRP HB2 H 1 3.171 0.005 . . . . . . A 14 TRP HB2 . 30758 1 106 . 1 . 1 14 14 TRP HB3 H 1 3.404 0.003 . . . . . . A 14 TRP HB3 . 30758 1 107 . 1 . 1 14 14 TRP HD1 H 1 7.191 0.001 . . . . . . A 14 TRP HD1 . 30758 1 108 . 1 . 1 14 14 TRP HE1 H 1 10.000 0.000 . . . . . . A 14 TRP HE1 . 30758 1 109 . 1 . 1 14 14 TRP HE3 H 1 7.333 0.005 . . . . . . A 14 TRP HE3 . 30758 1 110 . 1 . 1 14 14 TRP HZ2 H 1 7.122 0.002 . . . . . . A 14 TRP HZ2 . 30758 1 111 . 1 . 1 14 14 TRP HZ3 H 1 7.103 0.000 . . . . . . A 14 TRP HZ3 . 30758 1 112 . 1 . 1 14 14 TRP HH2 H 1 7.048 0.006 . . . . . . A 14 TRP HH2 . 30758 1 113 . 1 . 1 14 14 TRP CA C 13 62.581 0.000 . . . . . . A 14 TRP CA . 30758 1 114 . 1 . 1 14 14 TRP CB C 13 29.212 0.011 . . . . . . A 14 TRP CB . 30758 1 115 . 1 . 1 14 14 TRP N N 15 117.368 0.000 . . . . . . A 14 TRP N . 30758 1 116 . 1 . 1 15 15 CYS H H 1 7.932 0.001 . . . . . . A 15 CYS H . 30758 1 117 . 1 . 1 15 15 CYS HA H 1 4.470 0.002 . . . . . . A 15 CYS HA . 30758 1 118 . 1 . 1 15 15 CYS HB2 H 1 3.094 0.001 . . . . . . A 15 CYS HB2 . 30758 1 119 . 1 . 1 15 15 CYS HB3 H 1 3.430 0.001 . . . . . . A 15 CYS HB3 . 30758 1 120 . 1 . 1 15 15 CYS CA C 13 57.515 0.000 . . . . . . A 15 CYS CA . 30758 1 121 . 1 . 1 15 15 CYS CB C 13 36.845 0.010 . . . . . . A 15 CYS CB . 30758 1 122 . 1 . 1 16 16 ARG H H 1 8.227 0.002 . . . . . . A 16 ARG H . 30758 1 123 . 1 . 1 16 16 ARG HA H 1 3.791 0.002 . . . . . . A 16 ARG HA . 30758 1 124 . 1 . 1 16 16 ARG HB2 H 1 1.579 0.006 . . . . . . A 16 ARG HB2 . 30758 1 125 . 1 . 1 16 16 ARG HB3 H 1 1.850 0.003 . . . . . . A 16 ARG HB3 . 30758 1 126 . 1 . 1 16 16 ARG HG2 H 1 1.630 0.003 . . . . . . A 16 ARG HG2 . 30758 1 127 . 1 . 1 16 16 ARG HG3 H 1 1.630 0.003 . . . . . . A 16 ARG HG3 . 30758 1 128 . 1 . 1 16 16 ARG HD2 H 1 3.170 0.004 . . . . . . A 16 ARG HD2 . 30758 1 129 . 1 . 1 16 16 ARG HD3 H 1 3.170 0.004 . . . . . . A 16 ARG HD3 . 30758 1 130 . 1 . 1 16 16 ARG HE H 1 7.076 0.001 . . . . . . A 16 ARG HE . 30758 1 131 . 1 . 1 16 16 ARG CA C 13 59.935 0.000 . . . . . . A 16 ARG CA . 30758 1 132 . 1 . 1 16 16 ARG CB C 13 27.889 0.023 . . . . . . A 16 ARG CB . 30758 1 133 . 1 . 1 16 16 ARG CG C 13 26.648 0.000 . . . . . . A 16 ARG CG . 30758 1 134 . 1 . 1 16 16 ARG CD C 13 43.436 0.000 . . . . . . A 16 ARG CD . 30758 1 135 . 1 . 1 17 17 ASP H H 1 7.927 0.001 . . . . . . A 17 ASP H . 30758 1 136 . 1 . 1 17 17 ASP HA H 1 4.348 0.009 . . . . . . A 17 ASP HA . 30758 1 137 . 1 . 1 17 17 ASP HB2 H 1 1.906 0.013 . . . . . . A 17 ASP HB2 . 30758 1 138 . 1 . 1 17 17 ASP HB3 H 1 2.224 0.009 . . . . . . A 17 ASP HB3 . 30758 1 139 . 1 . 1 17 17 ASP CA C 13 55.447 0.000 . . . . . . A 17 ASP CA . 30758 1 140 . 1 . 1 17 17 ASP CB C 13 40.833 0.015 . . . . . . A 17 ASP CB . 30758 1 141 . 1 . 1 18 18 HIS H H 1 7.610 0.002 . . . . . . A 18 HIS H . 30758 1 142 . 1 . 1 18 18 HIS HA H 1 4.454 0.008 . . . . . . A 18 HIS HA . 30758 1 143 . 1 . 1 18 18 HIS HB2 H 1 1.329 0.002 . . . . . . A 18 HIS HB2 . 30758 1 144 . 1 . 1 18 18 HIS HB3 H 1 2.567 0.001 . . . . . . A 18 HIS HB3 . 30758 1 145 . 1 . 1 18 18 HIS HD1 H 1 9.998 0.006 . . . . . . A 18 HIS HD1 . 30758 1 146 . 1 . 1 18 18 HIS HD2 H 1 6.303 0.002 . . . . . . A 18 HIS HD2 . 30758 1 147 . 1 . 1 18 18 HIS HE1 H 1 8.369 0.002 . . . . . . A 18 HIS HE1 . 30758 1 148 . 1 . 1 18 18 HIS CA C 13 56.503 0.000 . . . . . . A 18 HIS CA . 30758 1 149 . 1 . 1 18 18 HIS CB C 13 29.209 0.000 . . . . . . A 18 HIS CB . 30758 1 150 . 1 . 1 18 18 HIS N N 15 112.730 0.000 . . . . . . A 18 HIS N . 30758 1 151 . 1 . 1 19 19 ALA H H 1 8.432 0.001 . . . . . . A 19 ALA H . 30758 1 152 . 1 . 1 19 19 ALA HA H 1 4.752 0.012 . . . . . . A 19 ALA HA . 30758 1 153 . 1 . 1 19 19 ALA HB1 H 1 1.628 0.003 . . . . . . A 19 ALA HB1 . 30758 1 154 . 1 . 1 19 19 ALA HB2 H 1 1.628 0.003 . . . . . . A 19 ALA HB2 . 30758 1 155 . 1 . 1 19 19 ALA HB3 H 1 1.628 0.003 . . . . . . A 19 ALA HB3 . 30758 1 156 . 1 . 1 19 19 ALA CA C 13 51.606 0.000 . . . . . . A 19 ALA CA . 30758 1 157 . 1 . 1 19 19 ALA CB C 13 20.656 0.000 . . . . . . A 19 ALA CB . 30758 1 158 . 1 . 1 19 19 ALA N N 15 123.611 0.000 . . . . . . A 19 ALA N . 30758 1 159 . 1 . 1 20 20 ARG H H 1 9.155 0.003 . . . . . . A 20 ARG H . 30758 1 160 . 1 . 1 20 20 ARG HA H 1 4.030 0.004 . . . . . . A 20 ARG HA . 30758 1 161 . 1 . 1 20 20 ARG HB2 H 1 1.878 0.004 . . . . . . A 20 ARG HB2 . 30758 1 162 . 1 . 1 20 20 ARG HB3 H 1 1.878 0.004 . . . . . . A 20 ARG HB3 . 30758 1 163 . 1 . 1 20 20 ARG HG2 H 1 1.680 0.016 . . . . . . A 20 ARG HG2 . 30758 1 164 . 1 . 1 20 20 ARG HG3 H 1 1.719 0.016 . . . . . . A 20 ARG HG3 . 30758 1 165 . 1 . 1 20 20 ARG HD2 H 1 3.200 0.002 . . . . . . A 20 ARG HD2 . 30758 1 166 . 1 . 1 20 20 ARG HD3 H 1 3.200 0.002 . . . . . . A 20 ARG HD3 . 30758 1 167 . 1 . 1 20 20 ARG HE H 1 7.182 0.000 . . . . . . A 20 ARG HE . 30758 1 168 . 1 . 1 20 20 ARG CA C 13 58.769 0.000 . . . . . . A 20 ARG CA . 30758 1 169 . 1 . 1 20 20 ARG CB C 13 29.358 0.000 . . . . . . A 20 ARG CB . 30758 1 170 . 1 . 1 20 20 ARG CG C 13 27.008 0.004 . . . . . . A 20 ARG CG . 30758 1 171 . 1 . 1 20 20 ARG CD C 13 43.420 0.000 . . . . . . A 20 ARG CD . 30758 1 172 . 1 . 1 20 20 ARG N N 15 128.874 0.000 . . . . . . A 20 ARG N . 30758 1 173 . 1 . 1 21 21 CYS H H 1 8.226 0.002 . . . . . . A 21 CYS H . 30758 1 174 . 1 . 1 21 21 CYS HA H 1 4.546 0.003 . . . . . . A 21 CYS HA . 30758 1 175 . 1 . 1 21 21 CYS HB2 H 1 3.056 0.004 . . . . . . A 21 CYS HB2 . 30758 1 176 . 1 . 1 21 21 CYS HB3 H 1 3.788 0.001 . . . . . . A 21 CYS HB3 . 30758 1 177 . 1 . 1 21 21 CYS CA C 13 56.715 0.000 . . . . . . A 21 CYS CA . 30758 1 178 . 1 . 1 21 21 CYS CB C 13 43.003 0.013 . . . . . . A 21 CYS CB . 30758 1 179 . 1 . 1 22 22 CYS H H 1 7.680 0.001 . . . . . . A 22 CYS H . 30758 1 180 . 1 . 1 22 22 CYS HA H 1 4.893 0.004 . . . . . . A 22 CYS HA . 30758 1 181 . 1 . 1 22 22 CYS HB2 H 1 3.284 0.003 . . . . . . A 22 CYS HB2 . 30758 1 182 . 1 . 1 22 22 CYS HB3 H 1 3.013 0.001 . . . . . . A 22 CYS HB3 . 30758 1 183 . 1 . 1 22 22 CYS CA C 13 53.556 0.000 . . . . . . A 22 CYS CA . 30758 1 184 . 1 . 1 22 22 CYS CB C 13 38.432 0.020 . . . . . . A 22 CYS CB . 30758 1 185 . 1 . 1 22 22 CYS N N 15 120.149 0.000 . . . . . . A 22 CYS N . 30758 1 186 . 1 . 1 23 23 NH2 N N 15 107.613 0.000 . . . . . . A 23 NH2 N . 30758 1 187 . 1 . 1 23 23 NH2 HN1 H 1 7.383 0.000 . . . . . . A 23 NH2 HN1 . 30758 1 188 . 1 . 1 23 23 NH2 HN2 H 1 7.195 0.000 . . . . . . A 23 NH2 HN2 . 30758 1 stop_ save_