################################### # 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4971 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _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 TOCSY . . . 4971 1 2 NOESY . . . 4971 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.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 HIS CA C 13 56.773 0.1 . 1 . . . . . . . . . 4971 1 2 . 1 1 1 1 HIS HA H 1 4.420 0.02 . 1 . . . . . . . . . 4971 1 3 . 1 1 1 1 HIS CB C 13 34.100 0.1 . 1 . . . . . . . . . 4971 1 4 . 1 1 1 1 HIS HB3 H 1 3.370 0.02 . 2 . . . . . . . . . 4971 1 5 . 1 1 1 1 HIS HB2 H 1 3.440 0.02 . 2 . . . . . . . . . 4971 1 6 . 1 1 1 1 HIS HD2 H 1 7.280 0.02 . 1 . . . . . . . . . 4971 1 7 . 1 1 1 1 HIS HE1 H 1 8.340 0.02 . 1 . . . . . . . . . 4971 1 8 . 1 1 2 2 CYS H H 1 8.190 0.02 . 1 . . . . . . . . . 4971 1 9 . 1 1 2 2 CYS CA C 13 54.127 0.1 . 1 . . . . . . . . . 4971 1 10 . 1 1 2 2 CYS HA H 1 4.590 0.02 . 1 . . . . . . . . . 4971 1 11 . 1 1 2 2 CYS CB C 13 42.402 0.1 . 1 . . . . . . . . . 4971 1 12 . 1 1 2 2 CYS HB3 H 1 3.150 0.02 . 1 . . . . . . . . . 4971 1 13 . 1 1 2 2 CYS HB2 H 1 3.150 0.02 . 1 . . . . . . . . . 4971 1 14 . 1 1 3 3 ASP H H 1 8.540 0.02 . 1 . . . . . . . . . 4971 1 15 . 1 1 3 3 ASP CA C 13 52.800 0.1 . 1 . . . . . . . . . 4971 1 16 . 1 1 3 3 ASP HA H 1 4.230 0.02 . 1 . . . . . . . . . 4971 1 17 . 1 1 3 3 ASP CB C 13 40.500 0.1 . 1 . . . . . . . . . 4971 1 18 . 1 1 3 3 ASP HB3 H 1 2.610 0.02 . 2 . . . . . . . . . 4971 1 19 . 1 1 3 3 ASP HB2 H 1 2.760 0.02 . 2 . . . . . . . . . 4971 1 20 . 1 1 4 4 ALA H H 1 8.160 0.02 . 1 . . . . . . . . . 4971 1 21 . 1 1 4 4 ALA CA C 13 53.600 0.1 . 1 . . . . . . . . . 4971 1 22 . 1 1 4 4 ALA HA H 1 4.060 0.02 . 1 . . . . . . . . . 4971 1 23 . 1 1 4 4 ALA CB C 13 18.000 0.1 . 1 . . . . . . . . . 4971 1 24 . 1 1 4 4 ALA HB1 H 1 1.350 0.02 . 1 . . . . . . . . . 4971 1 25 . 1 1 4 4 ALA HB2 H 1 1.350 0.02 . 1 . . . . . . . . . 4971 1 26 . 1 1 4 4 ALA HB3 H 1 1.350 0.02 . 1 . . . . . . . . . 4971 1 27 . 1 1 5 5 ALA H H 1 8.170 0.02 . 1 . . . . . . . . . 4971 1 28 . 1 1 5 5 ALA CA C 13 51.600 0.1 . 1 . . . . . . . . . 4971 1 29 . 1 1 5 5 ALA HA H 1 4.400 0.02 . 1 . . . . . . . . . 4971 1 30 . 1 1 5 5 ALA CB C 13 19.000 0.1 . 1 . . . . . . . . . 4971 1 31 . 1 1 5 5 ALA HB1 H 1 1.420 0.02 . 1 . . . . . . . . . 4971 1 32 . 1 1 5 5 ALA HB2 H 1 1.420 0.02 . 1 . . . . . . . . . 4971 1 33 . 1 1 5 5 ALA HB3 H 1 1.420 0.02 . 1 . . . . . . . . . 4971 1 34 . 1 1 6 6 THR H H 1 7.830 0.02 . 1 . . . . . . . . . 4971 1 35 . 1 1 6 6 THR CA C 13 62.300 0.1 . 1 . . . . . . . . . 4971 1 36 . 1 1 6 6 THR HA H 1 4.150 0.02 . 1 . . . . . . . . . 4971 1 37 . 1 1 6 6 THR CB C 13 68.900 0.1 . 1 . . . . . . . . . 4971 1 38 . 1 1 6 6 THR HB H 1 4.070 0.02 . 1 . . . . . . . . . 4971 1 39 . 1 1 6 6 THR HG21 H 1 1.140 0.02 . 1 . . . . . . . . . 4971 1 40 . 1 1 6 6 THR HG22 H 1 1.140 0.02 . 1 . . . . . . . . . 4971 1 41 . 1 1 6 6 THR HG23 H 1 1.140 0.02 . 1 . . . . . . . . . 4971 1 42 . 1 1 7 7 ILE H H 1 8.490 0.02 . 1 . . . . . . . . . 4971 1 43 . 1 1 7 7 ILE CA C 13 59.700 0.1 . 1 . . . . . . . . . 4971 1 44 . 1 1 7 7 ILE HA H 1 4.250 0.02 . 1 . . . . . . . . . 4971 1 45 . 1 1 7 7 ILE CB C 13 37.400 0.1 . 1 . . . . . . . . . 4971 1 46 . 1 1 7 7 ILE HB H 1 1.910 0.02 . 1 . . . . . . . . . 4971 1 47 . 1 1 7 7 ILE HG13 H 1 1.230 0.02 . 2 . . . . . . . . . 4971 1 48 . 1 1 7 7 ILE HG12 H 1 1.490 0.02 . 2 . . . . . . . . . 4971 1 49 . 1 1 7 7 ILE HD11 H 1 0.870 0.02 . 1 . . . . . . . . . 4971 1 50 . 1 1 7 7 ILE HD12 H 1 0.870 0.02 . 1 . . . . . . . . . 4971 1 51 . 1 1 7 7 ILE HD13 H 1 0.870 0.02 . 1 . . . . . . . . . 4971 1 52 . 1 1 7 7 ILE HG21 H 1 0.920 0.02 . 1 . . . . . . . . . 4971 1 53 . 1 1 7 7 ILE HG22 H 1 0.920 0.02 . 1 . . . . . . . . . 4971 1 54 . 1 1 7 7 ILE HG23 H 1 0.920 0.02 . 1 . . . . . . . . . 4971 1 55 . 1 1 8 8 CYS H H 1 8.900 0.02 . 1 . . . . . . . . . 4971 1 56 . 1 1 8 8 CYS CA C 13 52.300 0.1 . 1 . . . . . . . . . 4971 1 57 . 1 1 8 8 CYS HA H 1 5.000 0.02 . 1 . . . . . . . . . 4971 1 58 . 1 1 8 8 CYS CB C 13 36.300 0.1 . 1 . . . . . . . . . 4971 1 59 . 1 1 8 8 CYS HB3 H 1 2.490 0.02 . 2 . . . . . . . . . 4971 1 60 . 1 1 8 8 CYS HB2 H 1 3.720 0.02 . 2 . . . . . . . . . 4971 1 61 . 1 1 9 9 PRO CA C 13 62.100 0.1 . 1 . . . . . . . . . 4971 1 62 . 1 1 9 9 PRO HA H 1 4.470 0.02 . 1 . . . . . . . . . 4971 1 63 . 1 1 9 9 PRO CB C 13 32.000 0.1 . 1 . . . . . . . . . 4971 1 64 . 1 1 9 9 PRO HB3 H 1 1.900 0.02 . 2 . . . . . . . . . 4971 1 65 . 1 1 9 9 PRO HB2 H 1 2.370 0.02 . 2 . . . . . . . . . 4971 1 66 . 1 1 9 9 PRO HG3 H 1 2.040 0.02 . 1 . . . . . . . . . 4971 1 67 . 1 1 9 9 PRO HG2 H 1 2.040 0.02 . 1 . . . . . . . . . 4971 1 68 . 1 1 9 9 PRO HD3 H 1 3.710 0.02 . 2 . . . . . . . . . 4971 1 69 . 1 1 9 9 PRO HD2 H 1 3.890 0.02 . 2 . . . . . . . . . 4971 1 70 . 1 1 10 10 ASP H H 1 8.700 0.02 . 1 . . . . . . . . . 4971 1 71 . 1 1 10 10 ASP CA C 13 55.400 0.1 . 1 . . . . . . . . . 4971 1 72 . 1 1 10 10 ASP HA H 1 4.450 0.02 . 1 . . . . . . . . . 4971 1 73 . 1 1 10 10 ASP CB C 13 40.100 0.1 . 1 . . . . . . . . . 4971 1 74 . 1 1 10 10 ASP HB3 H 1 2.660 0.02 . 1 . . . . . . . . . 4971 1 75 . 1 1 10 10 ASP HB2 H 1 2.660 0.02 . 1 . . . . . . . . . 4971 1 76 . 1 1 11 11 GLY H H 1 8.830 0.02 . 1 . . . . . . . . . 4971 1 77 . 1 1 11 11 GLY CA C 13 44.400 0.1 . 1 . . . . . . . . . 4971 1 78 . 1 1 11 11 GLY HA3 H 1 3.630 0.02 . 0 . . . . . . . . . 4971 1 79 . 1 1 11 11 GLY HA2 H 1 4.240 0.02 . 0 . . . . . . . . . 4971 1 80 . 1 1 12 12 THR H H 1 8.020 0.02 . 1 . . . . . . . . . 4971 1 81 . 1 1 12 12 THR CA C 13 59.500 0.1 . 1 . . . . . . . . . 4971 1 82 . 1 1 12 12 THR HA H 1 4.960 0.02 . 1 . . . . . . . . . 4971 1 83 . 1 1 12 12 THR CB C 13 71.900 0.1 . 1 . . . . . . . . . 4971 1 84 . 1 1 12 12 THR HB H 1 3.630 0.02 . 1 . . . . . . . . . 4971 1 85 . 1 1 12 12 THR HG21 H 1 0.870 0.02 . 1 . . . . . . . . . 4971 1 86 . 1 1 12 12 THR HG22 H 1 0.870 0.02 . 1 . . . . . . . . . 4971 1 87 . 1 1 12 12 THR HG23 H 1 0.870 0.02 . 1 . . . . . . . . . 4971 1 88 . 1 1 13 13 THR H H 1 8.710 0.02 . 1 . . . . . . . . . 4971 1 89 . 1 1 13 13 THR CA C 13 59.900 0.1 . 1 . . . . . . . . . 4971 1 90 . 1 1 13 13 THR HA H 1 4.590 0.02 . 1 . . . . . . . . . 4971 1 91 . 1 1 13 13 THR CB C 13 70.800 0.1 . 1 . . . . . . . . . 4971 1 92 . 1 1 13 13 THR HB H 1 3.860 0.02 . 1 . . . . . . . . . 4971 1 93 . 1 1 13 13 THR HG21 H 1 1.080 0.02 . 1 . . . . . . . . . 4971 1 94 . 1 1 13 13 THR HG22 H 1 1.080 0.02 . 1 . . . . . . . . . 4971 1 95 . 1 1 13 13 THR HG23 H 1 1.080 0.02 . 1 . . . . . . . . . 4971 1 96 . 1 1 14 14 CYS H H 1 9.040 0.02 . 1 . . . . . . . . . 4971 1 97 . 1 1 14 14 CYS CA C 13 56.500 0.1 . 1 . . . . . . . . . 4971 1 98 . 1 1 14 14 CYS HA H 1 4.860 0.02 . 1 . . . . . . . . . 4971 1 99 . 1 1 14 14 CYS CB C 13 40.700 0.1 . 1 . . . . . . . . . 4971 1 100 . 1 1 14 14 CYS HB3 H 1 3.010 0.02 . 2 . . . . . . . . . 4971 1 101 . 1 1 14 14 CYS HB2 H 1 3.130 0.02 . 2 . . . . . . . . . 4971 1 102 . 1 1 15 15 SER H H 1 9.490 0.02 . 1 . . . . . . . . . 4971 1 103 . 1 1 15 15 SER CA C 13 57.200 0.1 . 1 . . . . . . . . . 4971 1 104 . 1 1 15 15 SER HA H 1 4.940 0.02 . 1 . . . . . . . . . 4971 1 105 . 1 1 15 15 SER CB C 13 65.600 0.1 . 1 . . . . . . . . . 4971 1 106 . 1 1 15 15 SER HB3 H 1 3.370 0.02 . 2 . . . . . . . . . 4971 1 107 . 1 1 15 15 SER HB2 H 1 3.650 0.02 . 2 . . . . . . . . . 4971 1 108 . 1 1 16 16 LEU H H 1 8.190 0.02 . 1 . . . . . . . . . 4971 1 109 . 1 1 16 16 LEU CA C 13 53.300 0.1 . 1 . . . . . . . . . 4971 1 110 . 1 1 16 16 LEU HA H 1 3.870 0.02 . 1 . . . . . . . . . 4971 1 111 . 1 1 16 16 LEU CB C 13 41.600 0.1 . 1 . . . . . . . . . 4971 1 112 . 1 1 16 16 LEU HB3 H 1 -0.320 0.02 . 2 . . . . . . . . . 4971 1 113 . 1 1 16 16 LEU HB2 H 1 1.160 0.02 . 2 . . . . . . . . . 4971 1 114 . 1 1 16 16 LEU HG H 1 0.930 0.02 . 1 . . . . . . . . . 4971 1 115 . 1 1 16 16 LEU HD11 H 1 0.410 0.02 . 2 . . . . . . . . . 4971 1 116 . 1 1 16 16 LEU HD12 H 1 0.410 0.02 . 2 . . . . . . . . . 4971 1 117 . 1 1 16 16 LEU HD13 H 1 0.410 0.02 . 2 . . . . . . . . . 4971 1 118 . 1 1 16 16 LEU HD21 H 1 -0.320 0.02 . 2 . . . . . . . . . 4971 1 119 . 1 1 16 16 LEU HD22 H 1 -0.320 0.02 . 2 . . . . . . . . . 4971 1 120 . 1 1 16 16 LEU HD23 H 1 -0.320 0.02 . 2 . . . . . . . . . 4971 1 121 . 1 1 17 17 SER H H 1 9.290 0.02 . 1 . . . . . . . . . 4971 1 122 . 1 1 17 17 SER CA C 13 56.000 0.1 . 1 . . . . . . . . . 4971 1 123 . 1 1 17 17 SER HA H 1 4.910 0.02 . 1 . . . . . . . . . 4971 1 124 . 1 1 17 17 SER CB C 13 62.900 0.1 . 1 . . . . . . . . . 4971 1 125 . 1 1 17 17 SER HB3 H 1 4.060 0.02 . 2 . . . . . . . . . 4971 1 126 . 1 1 17 17 SER HB2 H 1 4.390 0.02 . 2 . . . . . . . . . 4971 1 127 . 1 1 17 17 SER HG H 1 5.980 0.02 . 1 . . . . . . . . . 4971 1 128 . 1 1 18 18 PRO CA C 13 63.800 0.1 . 1 . . . . . . . . . 4971 1 129 . 1 1 18 18 PRO HA H 1 4.330 0.02 . 1 . . . . . . . . . 4971 1 130 . 1 1 18 18 PRO CB C 13 31.000 0.1 . 1 . . . . . . . . . 4971 1 131 . 1 1 18 18 PRO HB3 H 1 1.290 0.02 . 2 . . . . . . . . . 4971 1 132 . 1 1 18 18 PRO HB2 H 1 2.260 0.02 . 2 . . . . . . . . . 4971 1 133 . 1 1 18 18 PRO HG3 H 1 1.890 0.02 . 2 . . . . . . . . . 4971 1 134 . 1 1 18 18 PRO HG2 H 1 1.980 0.02 . 2 . . . . . . . . . 4971 1 135 . 1 1 18 18 PRO HD3 H 1 3.650 0.02 . 2 . . . . . . . . . 4971 1 136 . 1 1 18 18 PRO HD2 H 1 3.980 0.02 . 2 . . . . . . . . . 4971 1 137 . 1 1 19 19 TYR H H 1 7.420 0.02 . 1 . . . . . . . . . 4971 1 138 . 1 1 19 19 TYR CA C 13 55.800 0.1 . 1 . . . . . . . . . 4971 1 139 . 1 1 19 19 TYR HA H 1 4.670 0.02 . 1 . . . . . . . . . 4971 1 140 . 1 1 19 19 TYR CB C 13 37.200 0.1 . 1 . . . . . . . . . 4971 1 141 . 1 1 19 19 TYR HB3 H 1 2.570 0.02 . 2 . . . . . . . . . 4971 1 142 . 1 1 19 19 TYR HB2 H 1 3.400 0.02 . 2 . . . . . . . . . 4971 1 143 . 1 1 19 19 TYR HD1 H 1 7.130 0.02 . 1 . . . . . . . . . 4971 1 144 . 1 1 19 19 TYR HE1 H 1 6.870 0.02 . 1 . . . . . . . . . 4971 1 145 . 1 1 19 19 TYR HE2 H 1 6.870 0.02 . 1 . . . . . . . . . 4971 1 146 . 1 1 19 19 TYR HD2 H 1 7.130 0.02 . 1 . . . . . . . . . 4971 1 147 . 1 1 20 20 GLY H H 1 7.960 0.02 . 1 . . . . . . . . . 4971 1 148 . 1 1 20 20 GLY CA C 13 45.600 0.1 . 1 . . . . . . . . . 4971 1 149 . 1 1 20 20 GLY HA3 H 1 3.490 0.02 . 2 . . . . . . . . . 4971 1 150 . 1 1 20 20 GLY HA2 H 1 4.100 0.02 . 2 . . . . . . . . . 4971 1 151 . 1 1 21 21 VAL H H 1 7.190 0.02 . 1 . . . . . . . . . 4971 1 152 . 1 1 21 21 VAL CA C 13 60.000 0.1 . 1 . . . . . . . . . 4971 1 153 . 1 1 21 21 VAL HA H 1 4.300 0.02 . 1 . . . . . . . . . 4971 1 154 . 1 1 21 21 VAL CB C 13 33.700 0.1 . 1 . . . . . . . . . 4971 1 155 . 1 1 21 21 VAL HB H 1 1.930 0.02 . 1 . . . . . . . . . 4971 1 156 . 1 1 21 21 VAL HG21 H 1 0.840 0.02 . 2 . . . . . . . . . 4971 1 157 . 1 1 21 21 VAL HG22 H 1 0.840 0.02 . 2 . . . . . . . . . 4971 1 158 . 1 1 21 21 VAL HG23 H 1 0.840 0.02 . 2 . . . . . . . . . 4971 1 159 . 1 1 21 21 VAL HG11 H 1 0.970 0.02 . 2 . . . . . . . . . 4971 1 160 . 1 1 21 21 VAL HG12 H 1 0.970 0.02 . 2 . . . . . . . . . 4971 1 161 . 1 1 21 21 VAL HG13 H 1 0.970 0.02 . 2 . . . . . . . . . 4971 1 162 . 1 1 22 22 TRP H H 1 8.970 0.02 . 1 . . . . . . . . . 4971 1 163 . 1 1 22 22 TRP CA C 13 56.500 0.1 . 1 . . . . . . . . . 4971 1 164 . 1 1 22 22 TRP HA H 1 5.300 0.02 . 1 . . . . . . . . . 4971 1 165 . 1 1 22 22 TRP CB C 13 29.000 0.1 . 1 . . . . . . . . . 4971 1 166 . 1 1 22 22 TRP HB3 H 1 3.030 0.02 . 2 . . . . . . . . . 4971 1 167 . 1 1 22 22 TRP HB2 H 1 3.300 0.02 . 2 . . . . . . . . . 4971 1 168 . 1 1 22 22 TRP HD1 H 1 7.240 0.02 . 1 . . . . . . . . . 4971 1 169 . 1 1 22 22 TRP HE1 H 1 10.250 0.02 . 1 . . . . . . . . . 4971 1 170 . 1 1 22 22 TRP HZ2 H 1 7.500 0.02 . 1 . . . . . . . . . 4971 1 171 . 1 1 22 22 TRP HH2 H 1 7.220 0.02 . 1 . . . . . . . . . 4971 1 172 . 1 1 22 22 TRP HZ3 H 1 7.010 0.02 . 1 . . . . . . . . . 4971 1 173 . 1 1 22 22 TRP HE3 H 1 7.510 0.02 . 1 . . . . . . . . . 4971 1 174 . 1 1 23 23 TYR H H 1 9.820 0.02 . 1 . . . . . . . . . 4971 1 175 . 1 1 23 23 TYR CA C 13 55.300 0.1 . 1 . . . . . . . . . 4971 1 176 . 1 1 23 23 TYR HA H 1 5.010 0.02 . 1 . . . . . . . . . 4971 1 177 . 1 1 23 23 TYR CB C 13 39.200 0.1 . 1 . . . . . . . . . 4971 1 178 . 1 1 23 23 TYR HB3 H 1 3.040 0.02 . 2 . . . . . . . . . 4971 1 179 . 1 1 23 23 TYR HB2 H 1 3.130 0.02 . 2 . . . . . . . . . 4971 1 180 . 1 1 23 23 TYR HD1 H 1 7.250 0.02 . 1 . . . . . . . . . 4971 1 181 . 1 1 23 23 TYR HE1 H 1 6.680 0.02 . 1 . . . . . . . . . 4971 1 182 . 1 1 23 23 TYR HE2 H 1 6.680 0.02 . 1 . . . . . . . . . 4971 1 183 . 1 1 23 23 TYR HD2 H 1 7.250 0.02 . 1 . . . . . . . . . 4971 1 184 . 1 1 24 24 CYS H H 1 8.840 0.02 . 1 . . . . . . . . . 4971 1 185 . 1 1 24 24 CYS CA C 13 53.300 0.1 . 1 . . . . . . . . . 4971 1 186 . 1 1 24 24 CYS HA H 1 4.840 0.02 . 1 . . . . . . . . . 4971 1 187 . 1 1 24 24 CYS CB C 13 37.800 0.1 . 1 . . . . . . . . . 4971 1 188 . 1 1 24 24 CYS HB3 H 1 2.910 0.02 . 2 . . . . . . . . . 4971 1 189 . 1 1 24 24 CYS HB2 H 1 3.160 0.02 . 2 . . . . . . . . . 4971 1 190 . 1 1 25 25 SER H H 1 8.880 0.02 . 1 . . . . . . . . . 4971 1 191 . 1 1 25 25 SER CA C 13 54.500 0.1 . 1 . . . . . . . . . 4971 1 192 . 1 1 25 25 SER HA H 1 4.880 0.02 . 1 . . . . . . . . . 4971 1 193 . 1 1 25 25 SER CB C 13 64.400 0.1 . 1 . . . . . . . . . 4971 1 194 . 1 1 25 25 SER HB3 H 1 3.600 0.02 . 2 . . . . . . . . . 4971 1 195 . 1 1 25 25 SER HB2 H 1 3.710 0.02 . 2 . . . . . . . . . 4971 1 196 . 1 1 26 26 PRO CA C 13 62.700 0.1 . 1 . . . . . . . . . 4971 1 197 . 1 1 26 26 PRO HA H 1 4.710 0.02 . 1 . . . . . . . . . 4971 1 198 . 1 1 26 26 PRO CB C 13 31.600 0.1 . 1 . . . . . . . . . 4971 1 199 . 1 1 26 26 PRO HB3 H 1 1.970 0.02 . 2 . . . . . . . . . 4971 1 200 . 1 1 26 26 PRO HB2 H 1 2.310 0.02 . 2 . . . . . . . . . 4971 1 201 . 1 1 26 26 PRO HG3 H 1 1.960 0.02 . 1 . . . . . . . . . 4971 1 202 . 1 1 26 26 PRO HG2 H 1 1.960 0.02 . 1 . . . . . . . . . 4971 1 203 . 1 1 26 26 PRO HD3 H 1 3.850 0.02 . 2 . . . . . . . . . 4971 1 204 . 1 1 26 26 PRO HD2 H 1 3.960 0.02 . 2 . . . . . . . . . 4971 1 205 . 1 1 27 27 PHE H H 1 8.020 0.02 . 1 . . . . . . . . . 4971 1 206 . 1 1 27 27 PHE CA C 13 57.100 0.1 . 1 . . . . . . . . . 4971 1 207 . 1 1 27 27 PHE HA H 1 4.700 0.02 . 1 . . . . . . . . . 4971 1 208 . 1 1 27 27 PHE CB C 13 39.400 0.1 . 1 . . . . . . . . . 4971 1 209 . 1 1 27 27 PHE HB3 H 1 3.030 0.02 . 2 . . . . . . . . . 4971 1 210 . 1 1 27 27 PHE HB2 H 1 3.150 0.02 . 2 . . . . . . . . . 4971 1 211 . 1 1 27 27 PHE HD1 H 1 7.260 0.02 . 1 . . . . . . . . . 4971 1 212 . 1 1 27 27 PHE HE1 H 1 7.330 0.02 . 1 . . . . . . . . . 4971 1 213 . 1 1 27 27 PHE HE2 H 1 7.330 0.02 . 1 . . . . . . . . . 4971 1 214 . 1 1 27 27 PHE HD2 H 1 7.260 0.02 . 1 . . . . . . . . . 4971 1 215 . 1 1 28 28 SER H H 1 8.010 0.02 . 1 . . . . . . . . . 4971 1 216 . 1 1 28 28 SER CA C 13 59.200 0.1 . 1 . . . . . . . . . 4971 1 217 . 1 1 28 28 SER HA H 1 4.240 0.02 . 1 . . . . . . . . . 4971 1 218 . 1 1 28 28 SER CB C 13 64.400 0.1 . 1 . . . . . . . . . 4971 1 219 . 1 1 28 28 SER HB3 H 1 3.840 0.02 . 1 . . . . . . . . . 4971 1 220 . 1 1 28 28 SER HB2 H 1 3.840 0.02 . 1 . . . . . . . . . 4971 1 stop_ save_