################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4351 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $standard _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 $water_sample . 4351 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 VAL CA C 13 61.358 0.1 . 1 . . . . . . . . 4351 1 2 . 1 1 1 1 VAL HA H 1 3.890 0.02 . 1 . . . . . . . . 4351 1 3 . 1 1 1 1 VAL CB C 13 27.267 0.1 . 1 . . . . . . . . 4351 1 4 . 1 1 1 1 VAL HB H 1 2.080 0.02 . 1 . . . . . . . . 4351 1 5 . 1 1 1 1 VAL HG21 H 1 0.740 0.02 . 1 . . . . . . . . 4351 1 6 . 1 1 1 1 VAL HG22 H 1 0.740 0.02 . 1 . . . . . . . . 4351 1 7 . 1 1 1 1 VAL HG23 H 1 0.740 0.02 . 1 . . . . . . . . 4351 1 8 . 1 1 1 1 VAL HG11 H 1 0.900 0.02 . 1 . . . . . . . . 4351 1 9 . 1 1 1 1 VAL HG12 H 1 0.900 0.02 . 1 . . . . . . . . 4351 1 10 . 1 1 1 1 VAL HG13 H 1 0.900 0.02 . 1 . . . . . . . . 4351 1 11 . 1 1 2 2 ILE H H 1 8.930 0.02 . 1 . . . . . . . . 4351 1 12 . 1 1 2 2 ILE CA C 13 59.834 0.1 . 1 . . . . . . . . 4351 1 13 . 1 1 2 2 ILE HA H 1 4.390 0.02 . 1 . . . . . . . . 4351 1 14 . 1 1 2 2 ILE CB C 13 40.160 0.1 . 1 . . . . . . . . 4351 1 15 . 1 1 2 2 ILE HB H 1 1.660 0.02 . 1 . . . . . . . . 4351 1 16 . 1 1 2 2 ILE HG13 H 1 1.410 0.02 . 1 . . . . . . . . 4351 1 17 . 1 1 2 2 ILE HG12 H 1 1.410 0.02 . 1 . . . . . . . . 4351 1 18 . 1 1 2 2 ILE HD11 H 1 1.050 0.02 . 1 . . . . . . . . 4351 1 19 . 1 1 2 2 ILE HD12 H 1 1.050 0.02 . 1 . . . . . . . . 4351 1 20 . 1 1 2 2 ILE HD13 H 1 1.050 0.02 . 1 . . . . . . . . 4351 1 21 . 1 1 2 2 ILE HG21 H 1 0.860 0.02 . 1 . . . . . . . . 4351 1 22 . 1 1 2 2 ILE HG22 H 1 0.860 0.02 . 1 . . . . . . . . 4351 1 23 . 1 1 2 2 ILE HG23 H 1 0.860 0.02 . 1 . . . . . . . . 4351 1 24 . 1 1 3 3 HIS H H 1 9.110 0.02 . 1 . . . . . . . . 4351 1 25 . 1 1 3 3 HIS CA C 13 56.358 0.1 . 1 . . . . . . . . 4351 1 26 . 1 1 3 3 HIS HA H 1 4.790 0.02 . 1 . . . . . . . . 4351 1 27 . 1 1 3 3 HIS CB C 13 29.955 0.1 . 1 . . . . . . . . 4351 1 28 . 1 1 3 3 HIS HB3 H 1 3.080 0.02 . 1 . . . . . . . . 4351 1 29 . 1 1 3 3 HIS HB2 H 1 3.080 0.02 . 1 . . . . . . . . 4351 1 30 . 1 1 3 3 HIS HD2 H 1 7.300 0.02 . 1 . . . . . . . . 4351 1 31 . 1 1 3 3 HIS HE1 H 1 8.640 0.02 . 1 . . . . . . . . 4351 1 32 . 1 1 5 5 ASP CA C 13 52.695 0.1 . 1 . . . . . . . . 4351 1 33 . 1 1 5 5 ASP HA H 1 4.260 0.02 . 1 . . . . . . . . 4351 1 34 . 1 1 5 5 ASP CB C 13 40.540 0.1 . 1 . . . . . . . . 4351 1 35 . 1 1 5 5 ASP HB3 H 1 3.160 0.02 . 2 . . . . . . . . 4351 1 36 . 1 1 5 5 ASP HB2 H 1 2.940 0.02 . 2 . . . . . . . . 4351 1 37 . 1 1 6 6 ALA H H 1 8.410 0.02 . 1 . . . . . . . . 4351 1 38 . 1 1 6 6 ALA CA C 13 54.587 0.1 . 1 . . . . . . . . 4351 1 39 . 1 1 6 6 ALA HA H 1 4.060 0.02 . 1 . . . . . . . . 4351 1 40 . 1 1 6 6 ALA CB C 13 18.398 0.1 . 1 . . . . . . . . 4351 1 41 . 1 1 6 6 ALA HB1 H 1 1.400 0.02 . 1 . . . . . . . . 4351 1 42 . 1 1 6 6 ALA HB2 H 1 1.400 0.02 . 1 . . . . . . . . 4351 1 43 . 1 1 6 6 ALA HB3 H 1 1.400 0.02 . 1 . . . . . . . . 4351 1 44 . 1 1 7 7 ALA H H 1 7.850 0.02 . 1 . . . . . . . . 4351 1 45 . 1 1 7 7 ALA CA C 13 51.891 0.1 . 1 . . . . . . . . 4351 1 46 . 1 1 7 7 ALA HA H 1 4.530 0.02 . 1 . . . . . . . . 4351 1 47 . 1 1 7 7 ALA CB C 13 20.836 0.1 . 1 . . . . . . . . 4351 1 48 . 1 1 7 7 ALA HB1 H 1 1.450 0.02 . 1 . . . . . . . . 4351 1 49 . 1 1 7 7 ALA HB2 H 1 1.450 0.02 . 1 . . . . . . . . 4351 1 50 . 1 1 7 7 ALA HB3 H 1 1.450 0.02 . 1 . . . . . . . . 4351 1 51 . 1 1 8 8 THR H H 1 7.900 0.02 . 1 . . . . . . . . 4351 1 52 . 1 1 8 8 THR CA C 13 63.294 0.1 . 1 . . . . . . . . 4351 1 53 . 1 1 8 8 THR HA H 1 4.320 0.02 . 1 . . . . . . . . 4351 1 54 . 1 1 8 8 THR CB C 13 69.630 0.1 . 1 . . . . . . . . 4351 1 55 . 1 1 8 8 THR HB H 1 3.630 0.02 . 1 . . . . . . . . 4351 1 56 . 1 1 8 8 THR HG21 H 1 1.070 0.02 . 1 . . . . . . . . 4351 1 57 . 1 1 8 8 THR HG22 H 1 1.070 0.02 . 1 . . . . . . . . 4351 1 58 . 1 1 8 8 THR HG23 H 1 1.070 0.02 . 1 . . . . . . . . 4351 1 59 . 1 1 9 9 ILE H H 1 8.560 0.02 . 1 . . . . . . . . 4351 1 60 . 1 1 9 9 ILE CA C 13 59.675 0.1 . 1 . . . . . . . . 4351 1 61 . 1 1 9 9 ILE HA H 1 4.630 0.02 . 1 . . . . . . . . 4351 1 62 . 1 1 9 9 ILE CB C 13 39.603 0.1 . 1 . . . . . . . . 4351 1 63 . 1 1 9 9 ILE HB H 1 1.550 0.02 . 1 . . . . . . . . 4351 1 64 . 1 1 9 9 ILE HG13 H 1 1.320 0.02 . 1 . . . . . . . . 4351 1 65 . 1 1 9 9 ILE HG12 H 1 1.320 0.02 . 1 . . . . . . . . 4351 1 66 . 1 1 9 9 ILE HD11 H 1 0.720 0.02 . 1 . . . . . . . . 4351 1 67 . 1 1 9 9 ILE HD12 H 1 0.720 0.02 . 1 . . . . . . . . 4351 1 68 . 1 1 9 9 ILE HD13 H 1 0.720 0.02 . 1 . . . . . . . . 4351 1 69 . 1 1 9 9 ILE HG21 H 1 0.530 0.02 . 1 . . . . . . . . 4351 1 70 . 1 1 9 9 ILE HG22 H 1 0.530 0.02 . 1 . . . . . . . . 4351 1 71 . 1 1 9 9 ILE HG23 H 1 0.530 0.02 . 1 . . . . . . . . 4351 1 72 . 1 1 10 10 CYS H H 1 8.950 0.02 . 1 . . . . . . . . 4351 1 73 . 1 1 10 10 CYS HA H 1 5.250 0.02 . 1 . . . . . . . . 4351 1 74 . 1 1 10 10 CYS CB C 13 38.170 0.1 . 1 . . . . . . . . 4351 1 75 . 1 1 10 10 CYS HB3 H 1 3.670 0.02 . 2 . . . . . . . . 4351 1 76 . 1 1 10 10 CYS HB2 H 1 2.090 0.02 . 2 . . . . . . . . 4351 1 77 . 1 1 11 11 PRO CA C 13 62.181 0.1 . 1 . . . . . . . . 4351 1 78 . 1 1 11 11 PRO HA H 1 4.450 0.02 . 1 . . . . . . . . 4351 1 79 . 1 1 11 11 PRO CB C 13 32.538 0.1 . 1 . . . . . . . . 4351 1 80 . 1 1 11 11 PRO HB3 H 1 2.300 0.02 . 2 . . . . . . . . 4351 1 81 . 1 1 11 11 PRO HB2 H 1 1.940 0.02 . 2 . . . . . . . . 4351 1 82 . 1 1 11 11 PRO HG3 H 1 2.010 0.02 . 2 . . . . . . . . 4351 1 83 . 1 1 11 11 PRO HG2 H 1 1.940 0.02 . 2 . . . . . . . . 4351 1 84 . 1 1 11 11 PRO HD3 H 1 3.850 0.02 . 1 . . . . . . . . 4351 1 85 . 1 1 11 11 PRO HD2 H 1 3.760 0.02 . 1 . . . . . . . . 4351 1 86 . 1 1 12 12 ASP H H 1 8.730 0.02 . 1 . . . . . . . . 4351 1 87 . 1 1 12 12 ASP CA C 13 56.112 0.1 . 1 . . . . . . . . 4351 1 88 . 1 1 12 12 ASP HA H 1 4.430 0.02 . 1 . . . . . . . . 4351 1 89 . 1 1 12 12 ASP CB C 13 40.430 0.1 . 1 . . . . . . . . 4351 1 90 . 1 1 12 12 ASP HB3 H 1 2.740 0.02 . 1 . . . . . . . . 4351 1 91 . 1 1 12 12 ASP HB2 H 1 2.600 0.02 . 1 . . . . . . . . 4351 1 92 . 1 1 13 13 GLY H H 1 9.030 0.02 . 1 . . . . . . . . 4351 1 93 . 1 1 13 13 GLY CA C 13 44.937 0.1 . 1 . . . . . . . . 4351 1 94 . 1 1 13 13 GLY HA3 H 1 4.210 0.02 . 2 . . . . . . . . 4351 1 95 . 1 1 13 13 GLY HA2 H 1 3.590 0.02 . 2 . . . . . . . . 4351 1 96 . 1 1 14 14 THR H H 1 7.740 0.02 . 1 . . . . . . . . 4351 1 97 . 1 1 14 14 THR CA C 13 59.973 0.1 . 1 . . . . . . . . 4351 1 98 . 1 1 14 14 THR HA H 1 4.950 0.02 . 1 . . . . . . . . 4351 1 99 . 1 1 14 14 THR CB C 13 72.442 0.1 . 1 . . . . . . . . 4351 1 100 . 1 1 14 14 THR HB H 1 3.800 0.02 . 1 . . . . . . . . 4351 1 101 . 1 1 14 14 THR HG21 H 1 0.890 0.02 . 1 . . . . . . . . 4351 1 102 . 1 1 14 14 THR HG22 H 1 0.890 0.02 . 1 . . . . . . . . 4351 1 103 . 1 1 14 14 THR HG23 H 1 0.890 0.02 . 1 . . . . . . . . 4351 1 104 . 1 1 15 15 THR H H 1 8.810 0.02 . 1 . . . . . . . . 4351 1 105 . 1 1 15 15 THR CA C 13 59.988 0.1 . 1 . . . . . . . . 4351 1 106 . 1 1 15 15 THR HA H 1 4.560 0.02 . 1 . . . . . . . . 4351 1 107 . 1 1 15 15 THR CB C 13 71.255 0.1 . 1 . . . . . . . . 4351 1 108 . 1 1 15 15 THR HB H 1 3.900 0.02 . 1 . . . . . . . . 4351 1 109 . 1 1 15 15 THR HG21 H 1 1.100 0.02 . 1 . . . . . . . . 4351 1 110 . 1 1 15 15 THR HG22 H 1 1.100 0.02 . 1 . . . . . . . . 4351 1 111 . 1 1 15 15 THR HG23 H 1 1.100 0.02 . 1 . . . . . . . . 4351 1 112 . 1 1 16 16 CYS H H 1 8.600 0.02 . 1 . . . . . . . . 4351 1 113 . 1 1 16 16 CYS CA C 13 57.368 0.1 . 1 . . . . . . . . 4351 1 114 . 1 1 16 16 CYS HA H 1 4.850 0.02 . 1 . . . . . . . . 4351 1 115 . 1 1 16 16 CYS CB C 13 41.357 0.1 . 1 . . . . . . . . 4351 1 116 . 1 1 16 16 CYS HB3 H 1 3.040 0.02 . 2 . . . . . . . . 4351 1 117 . 1 1 16 16 CYS HB2 H 1 2.940 0.02 . 2 . . . . . . . . 4351 1 118 . 1 1 17 17 SER H H 1 9.390 0.02 . 1 . . . . . . . . 4351 1 119 . 1 1 17 17 SER CA C 13 57.532 0.1 . 1 . . . . . . . . 4351 1 120 . 1 1 17 17 SER HA H 1 4.820 0.02 . 1 . . . . . . . . 4351 1 121 . 1 1 17 17 SER CB C 13 65.496 0.1 . 1 . . . . . . . . 4351 1 122 . 1 1 17 17 SER HB3 H 1 3.430 0.02 . 2 . . . . . . . . 4351 1 123 . 1 1 17 17 SER HB2 H 1 2.800 0.02 . 2 . . . . . . . . 4351 1 124 . 1 1 18 18 LEU H H 1 8.470 0.02 . 1 . . . . . . . . 4351 1 125 . 1 1 18 18 LEU CA C 13 53.630 0.1 . 1 . . . . . . . . 4351 1 126 . 1 1 18 18 LEU HA H 1 4.120 0.02 . 1 . . . . . . . . 4351 1 127 . 1 1 18 18 LEU CB C 13 42.587 0.1 . 1 . . . . . . . . 4351 1 128 . 1 1 18 18 LEU HB3 H 1 -0.315 0.02 . 2 . . . . . . . . 4351 1 129 . 1 1 18 18 LEU HB2 H 1 1.210 0.02 . 2 . . . . . . . . 4351 1 130 . 1 1 18 18 LEU HG H 1 0.920 0.02 . 1 . . . . . . . . 4351 1 131 . 1 1 18 18 LEU HD11 H 1 0.190 0.02 . 1 . . . . . . . . 4351 1 132 . 1 1 18 18 LEU HD12 H 1 0.190 0.02 . 1 . . . . . . . . 4351 1 133 . 1 1 18 18 LEU HD13 H 1 0.190 0.02 . 1 . . . . . . . . 4351 1 134 . 1 1 18 18 LEU HD21 H 1 -0.310 0.02 . 1 . . . . . . . . 4351 1 135 . 1 1 18 18 LEU HD22 H 1 -0.310 0.02 . 1 . . . . . . . . 4351 1 136 . 1 1 18 18 LEU HD23 H 1 -0.310 0.02 . 1 . . . . . . . . 4351 1 137 . 1 1 19 19 SER H H 1 9.230 0.02 . 1 . . . . . . . . 4351 1 138 . 1 1 19 19 SER CA C 13 56.597 0.1 . 1 . . . . . . . . 4351 1 139 . 1 1 19 19 SER HA H 1 4.950 0.02 . 1 . . . . . . . . 4351 1 140 . 1 1 19 19 SER CB C 13 63.392 0.1 . 1 . . . . . . . . 4351 1 141 . 1 1 19 19 SER HB3 H 1 4.480 0.02 . 2 . . . . . . . . 4351 1 142 . 1 1 19 19 SER HB2 H 1 4.150 0.02 . 2 . . . . . . . . 4351 1 143 . 1 1 20 20 PRO CA C 13 64.322 0.1 . 1 . . . . . . . . 4351 1 144 . 1 1 20 20 PRO HA H 1 4.310 0.02 . 1 . . . . . . . . 4351 1 145 . 1 1 20 20 PRO CB C 13 31.479 0.1 . 1 . . . . . . . . 4351 1 146 . 1 1 20 20 PRO HB3 H 1 2.240 0.02 . 1 . . . . . . . . 4351 1 147 . 1 1 20 20 PRO HB2 H 1 1.260 0.02 . 1 . . . . . . . . 4351 1 148 . 1 1 20 20 PRO HG3 H 1 1.950 0.02 . 2 . . . . . . . . 4351 1 149 . 1 1 20 20 PRO HG2 H 1 1.880 0.02 . 2 . . . . . . . . 4351 1 150 . 1 1 20 20 PRO HD3 H 1 3.980 0.02 . 1 . . . . . . . . 4351 1 151 . 1 1 20 20 PRO HD2 H 1 3.660 0.02 . 1 . . . . . . . . 4351 1 152 . 1 1 21 21 TYR H H 1 7.370 0.02 . 1 . . . . . . . . 4351 1 153 . 1 1 21 21 TYR CA C 13 56.240 0.1 . 1 . . . . . . . . 4351 1 154 . 1 1 21 21 TYR HA H 1 4.650 0.02 . 1 . . . . . . . . 4351 1 155 . 1 1 21 21 TYR CB C 13 37.777 0.1 . 1 . . . . . . . . 4351 1 156 . 1 1 21 21 TYR HB3 H 1 3.410 0.02 . 2 . . . . . . . . 4351 1 157 . 1 1 21 21 TYR HB2 H 1 2.550 0.02 . 2 . . . . . . . . 4351 1 158 . 1 1 21 21 TYR HD1 H 1 7.110 0.02 . 1 . . . . . . . . 4351 1 159 . 1 1 21 21 TYR HE1 H 1 6.850 0.02 . 1 . . . . . . . . 4351 1 160 . 1 1 21 21 TYR HE2 H 1 6.850 0.02 . 1 . . . . . . . . 4351 1 161 . 1 1 21 21 TYR HD2 H 1 7.110 0.02 . 1 . . . . . . . . 4351 1 162 . 1 1 22 22 GLY H H 1 8.000 0.02 . 1 . . . . . . . . 4351 1 163 . 1 1 22 22 GLY CA C 13 46.084 0.1 . 1 . . . . . . . . 4351 1 164 . 1 1 22 22 GLY HA3 H 1 4.050 0.02 . 2 . . . . . . . . 4351 1 165 . 1 1 22 22 GLY HA2 H 1 3.420 0.02 . 2 . . . . . . . . 4351 1 166 . 1 1 23 23 VAL H H 1 7.190 0.02 . 1 . . . . . . . . 4351 1 167 . 1 1 23 23 VAL CA C 13 60.516 0.1 . 1 . . . . . . . . 4351 1 168 . 1 1 23 23 VAL HA H 1 4.230 0.02 . 1 . . . . . . . . 4351 1 169 . 1 1 23 23 VAL CB C 13 27.540 0.1 . 1 . . . . . . . . 4351 1 170 . 1 1 23 23 VAL HB H 1 1.940 0.02 . 1 . . . . . . . . 4351 1 171 . 1 1 23 23 VAL HG21 H 1 0.840 0.02 . 1 . . . . . . . . 4351 1 172 . 1 1 23 23 VAL HG22 H 1 0.840 0.02 . 1 . . . . . . . . 4351 1 173 . 1 1 23 23 VAL HG23 H 1 0.840 0.02 . 1 . . . . . . . . 4351 1 174 . 1 1 23 23 VAL HG11 H 1 0.990 0.02 . 1 . . . . . . . . 4351 1 175 . 1 1 23 23 VAL HG12 H 1 0.990 0.02 . 1 . . . . . . . . 4351 1 176 . 1 1 23 23 VAL HG13 H 1 0.990 0.02 . 1 . . . . . . . . 4351 1 177 . 1 1 24 24 TRP H H 1 8.670 0.02 . 1 . . . . . . . . 4351 1 178 . 1 1 24 24 TRP CA C 13 57.209 0.1 . 1 . . . . . . . . 4351 1 179 . 1 1 24 24 TRP HA H 1 5.280 0.02 . 1 . . . . . . . . 4351 1 180 . 1 1 24 24 TRP CB C 13 30.510 0.1 . 1 . . . . . . . . 4351 1 181 . 1 1 24 24 TRP HB3 H 1 3.090 0.02 . 1 . . . . . . . . 4351 1 182 . 1 1 24 24 TRP HB2 H 1 3.090 0.02 . 1 . . . . . . . . 4351 1 183 . 1 1 24 24 TRP HD1 H 1 7.330 0.02 . 1 . . . . . . . . 4351 1 184 . 1 1 24 24 TRP HE1 H 1 10.070 0.02 . 1 . . . . . . . . 4351 1 185 . 1 1 24 24 TRP HZ2 H 1 7.470 0.02 . 1 . . . . . . . . 4351 1 186 . 1 1 24 24 TRP HH2 H 1 7.200 0.02 . 1 . . . . . . . . 4351 1 187 . 1 1 24 24 TRP HZ3 H 1 6.790 0.02 . 1 . . . . . . . . 4351 1 188 . 1 1 24 24 TRP HE3 H 1 7.440 0.02 . 1 . . . . . . . . 4351 1 189 . 1 1 25 25 TYR H H 1 9.840 0.02 . 1 . . . . . . . . 4351 1 190 . 1 1 25 25 TYR CA C 13 55.784 0.1 . 1 . . . . . . . . 4351 1 191 . 1 1 25 25 TYR HA H 1 5.110 0.02 . 1 . . . . . . . . 4351 1 192 . 1 1 25 25 TYR HB3 H 1 3.050 0.02 . 1 . . . . . . . . 4351 1 193 . 1 1 25 25 TYR HB2 H 1 3.050 0.02 . 1 . . . . . . . . 4351 1 194 . 1 1 25 25 TYR HD1 H 1 7.130 0.02 . 1 . . . . . . . . 4351 1 195 . 1 1 25 25 TYR HE1 H 1 6.570 0.02 . 1 . . . . . . . . 4351 1 196 . 1 1 25 25 TYR HE2 H 1 6.570 0.02 . 1 . . . . . . . . 4351 1 197 . 1 1 25 25 TYR HD2 H 1 7.130 0.02 . 1 . . . . . . . . 4351 1 198 . 1 1 26 26 CYS H H 1 8.710 0.02 . 1 . . . . . . . . 4351 1 199 . 1 1 26 26 CYS HA H 1 5.260 0.02 . 1 . . . . . . . . 4351 1 200 . 1 1 26 26 CYS CB C 13 38.465 0.1 . 1 . . . . . . . . 4351 1 201 . 1 1 26 26 CYS HB3 H 1 3.130 0.02 . 2 . . . . . . . . 4351 1 202 . 1 1 26 26 CYS HB2 H 1 2.850 0.02 . 2 . . . . . . . . 4351 1 203 . 1 1 27 27 SER H H 1 9.280 0.02 . 1 . . . . . . . . 4351 1 204 . 1 1 27 27 SER CA C 13 55.349 0.1 . 1 . . . . . . . . 4351 1 205 . 1 1 27 27 SER HA H 1 5.010 0.02 . 1 . . . . . . . . 4351 1 206 . 1 1 27 27 SER CB C 13 64.503 0.1 . 1 . . . . . . . . 4351 1 207 . 1 1 27 27 SER HB3 H 1 3.830 0.02 . 2 . . . . . . . . 4351 1 208 . 1 1 27 27 SER HB2 H 1 3.730 0.02 . 2 . . . . . . . . 4351 1 209 . 1 1 28 28 PRO CA C 13 63.215 0.1 . 1 . . . . . . . . 4351 1 210 . 1 1 28 28 PRO HA H 1 4.610 0.02 . 1 . . . . . . . . 4351 1 211 . 1 1 28 28 PRO CB C 13 32.076 0.1 . 1 . . . . . . . . 4351 1 212 . 1 1 28 28 PRO HB3 H 1 2.310 0.02 . 2 . . . . . . . . 4351 1 213 . 1 1 28 28 PRO HB2 H 1 2.010 0.02 . 2 . . . . . . . . 4351 1 214 . 1 1 28 28 PRO HG3 H 1 2.010 0.02 . 2 . . . . . . . . 4351 1 215 . 1 1 28 28 PRO HG2 H 1 1.940 0.02 . 2 . . . . . . . . 4351 1 216 . 1 1 28 28 PRO HD3 H 1 3.990 0.02 . 2 . . . . . . . . 4351 1 217 . 1 1 28 28 PRO HD2 H 1 3.830 0.02 . 2 . . . . . . . . 4351 1 218 . 1 1 29 29 PHE H H 1 8.130 0.02 . 1 . . . . . . . . 4351 1 219 . 1 1 29 29 PHE CA C 13 57.644 0.1 . 1 . . . . . . . . 4351 1 220 . 1 1 29 29 PHE HA H 1 4.660 0.02 . 1 . . . . . . . . 4351 1 221 . 1 1 29 29 PHE CB C 13 39.815 0.1 . 1 . . . . . . . . 4351 1 222 . 1 1 29 29 PHE HB3 H 1 3.070 0.02 . 2 . . . . . . . . 4351 1 223 . 1 1 29 29 PHE HB2 H 1 3.020 0.02 . 2 . . . . . . . . 4351 1 224 . 1 1 29 29 PHE HD1 H 1 7.210 0.02 . 1 . . . . . . . . 4351 1 225 . 1 1 29 29 PHE HE1 H 1 7.300 0.02 . 1 . . . . . . . . 4351 1 226 . 1 1 29 29 PHE HZ H 1 7.230 0.02 . 1 . . . . . . . . 4351 1 227 . 1 1 29 29 PHE HE2 H 1 7.300 0.02 . 1 . . . . . . . . 4351 1 228 . 1 1 29 29 PHE HD2 H 1 7.210 0.02 . 1 . . . . . . . . 4351 1 229 . 1 1 30 30 SER H H 1 8.180 0.02 . 1 . . . . . . . . 4351 1 230 . 1 1 30 30 SER CA C 13 59.702 0.1 . 1 . . . . . . . . 4351 1 231 . 1 1 30 30 SER HA H 1 4.310 0.02 . 1 . . . . . . . . 4351 1 232 . 1 1 30 30 SER CB C 13 64.922 0.1 . 1 . . . . . . . . 4351 1 233 . 1 1 30 30 SER HB3 H 1 3.860 0.02 . 2 . . . . . . . . 4351 1 234 . 1 1 30 30 SER HB2 H 1 3.800 0.02 . 2 . . . . . . . . 4351 1 stop_ save_