################################### # 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 4148 _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 . 4148 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 SER HA H 1 4.182 0.01 . 1 . . . . . . . . 4148 1 2 . 1 1 1 1 SER HB2 H 1 4.026 0.01 . 1 . . . . . . . . 4148 1 3 . 1 1 1 1 SER HB3 H 1 4.026 0.01 . 1 . . . . . . . . 4148 1 4 . 1 1 2 2 CYS H H 1 8.790 0.01 . 1 . . . . . . . . 4148 1 5 . 1 1 2 2 CYS HA H 1 4.984 0.01 . 1 . . . . . . . . 4148 1 6 . 1 1 2 2 CYS HB2 H 1 3.433 0.01 . 1 . . . . . . . . 4148 1 7 . 1 1 2 2 CYS HB3 H 1 3.433 0.01 . 1 . . . . . . . . 4148 1 8 . 1 1 3 3 THR H H 1 8.503 0.01 . 1 . . . . . . . . 4148 1 9 . 1 1 3 3 THR HA H 1 4.628 0.01 . 1 . . . . . . . . 4148 1 10 . 1 1 3 3 THR HB H 1 3.822 0.01 . 1 . . . . . . . . 4148 1 11 . 1 1 3 3 THR HG21 H 1 1.098 0.01 . 9 . . . . . . . . 4148 1 12 . 1 1 3 3 THR HG22 H 1 1.098 0.01 . 9 . . . . . . . . 4148 1 13 . 1 1 3 3 THR HG23 H 1 1.098 0.01 . 9 . . . . . . . . 4148 1 14 . 1 1 4 4 GLN H H 1 9.094 0.01 . 1 . . . . . . . . 4148 1 15 . 1 1 4 4 GLN HA H 1 4.968 0.01 . 1 . . . . . . . . 4148 1 16 . 1 1 4 4 GLN HB2 H 1 1.755 0.01 . 1 . . . . . . . . 4148 1 17 . 1 1 4 4 GLN HB3 H 1 1.397 0.01 . 1 . . . . . . . . 4148 1 18 . 1 1 4 4 GLN HG2 H 1 2.573 0.01 . 1 . . . . . . . . 4148 1 19 . 1 1 4 4 GLN HG3 H 1 2.288 0.01 . 1 . . . . . . . . 4148 1 20 . 1 1 4 4 GLN HE21 H 1 8.951 0.01 . 1 . . . . . . . . 4148 1 21 . 1 1 4 4 GLN HE22 H 1 7.109 0.01 . 1 . . . . . . . . 4148 1 22 . 1 1 5 5 THR H H 1 8.729 0.01 . 1 . . . . . . . . 4148 1 23 . 1 1 5 5 THR HA H 1 4.161 0.01 . 1 . . . . . . . . 4148 1 24 . 1 1 5 5 THR HB H 1 4.447 0.01 . 1 . . . . . . . . 4148 1 25 . 1 1 5 5 THR HG21 H 1 1.335 0.01 . 9 . . . . . . . . 4148 1 26 . 1 1 5 5 THR HG22 H 1 1.335 0.01 . 9 . . . . . . . . 4148 1 27 . 1 1 5 5 THR HG23 H 1 1.335 0.01 . 9 . . . . . . . . 4148 1 28 . 1 1 6 6 HIS H H 1 8.590 0.01 . 1 . . . . . . . . 4148 1 29 . 1 1 6 6 HIS HA H 1 3.808 0.01 . 1 . . . . . . . . 4148 1 30 . 1 1 6 6 HIS HB2 H 1 2.912 0.01 . 1 . . . . . . . . 4148 1 31 . 1 1 6 6 HIS HB3 H 1 2.799 0.01 . 1 . . . . . . . . 4148 1 32 . 1 1 6 6 HIS HD2 H 1 6.421 0.01 . 1 . . . . . . . . 4148 1 33 . 1 1 6 6 HIS HE1 H 1 8.195 0.01 . 1 . . . . . . . . 4148 1 34 . 1 1 6 6 HIS HE2 H 1 8.732 0.01 . 1 . . . . . . . . 4148 1 35 . 1 1 7 7 TRP H H 1 9.342 0.01 . 1 . . . . . . . . 4148 1 36 . 1 1 7 7 TRP HA H 1 4.134 0.01 . 1 . . . . . . . . 4148 1 37 . 1 1 7 7 TRP HB2 H 1 3.664 0.01 . 1 . . . . . . . . 4148 1 38 . 1 1 7 7 TRP HB3 H 1 3.206 0.01 . 1 . . . . . . . . 4148 1 39 . 1 1 7 7 TRP HD1 H 1 6.893 0.01 . 1 . . . . . . . . 4148 1 40 . 1 1 7 7 TRP HE1 H 1 9.859 0.01 . 1 . . . . . . . . 4148 1 41 . 1 1 7 7 TRP HE3 H 1 7.328 0.01 . 1 . . . . . . . . 4148 1 42 . 1 1 7 7 TRP HZ2 H 1 7.275 0.01 . 1 . . . . . . . . 4148 1 43 . 1 1 7 7 TRP HZ3 H 1 7.024 0.01 . 1 . . . . . . . . 4148 1 44 . 1 1 7 7 TRP HH2 H 1 7.124 0.01 . 1 . . . . . . . . 4148 1 45 . 1 1 8 8 GLY H H 1 8.736 0.01 . 1 . . . . . . . . 4148 1 46 . 1 1 8 8 GLY HA2 H 1 4.277 0.01 . 1 . . . . . . . . 4148 1 47 . 1 1 8 8 GLY HA3 H 1 3.372 0.01 . 1 . . . . . . . . 4148 1 48 . 1 1 9 9 GLN H H 1 8.822 0.01 . 1 . . . . . . . . 4148 1 49 . 1 1 9 9 GLN HA H 1 4.159 0.01 . 1 . . . . . . . . 4148 1 50 . 1 1 9 9 GLN HB2 H 1 2.076 0.01 . 1 . . . . . . . . 4148 1 51 . 1 1 9 9 GLN HB3 H 1 1.569 0.01 . 1 . . . . . . . . 4148 1 52 . 1 1 9 9 GLN HG2 H 1 2.333 0.01 . 1 . . . . . . . . 4148 1 53 . 1 1 9 9 GLN HG3 H 1 0.912 0.01 . 1 . . . . . . . . 4148 1 54 . 1 1 9 9 GLN HE21 H 1 7.392 0.01 . 1 . . . . . . . . 4148 1 55 . 1 1 9 9 GLN HE22 H 1 6.775 0.01 . 1 . . . . . . . . 4148 1 56 . 1 1 10 10 CYS H H 1 7.961 0.01 . 1 . . . . . . . . 4148 1 57 . 1 1 10 10 CYS HA H 1 5.250 0.01 . 1 . . . . . . . . 4148 1 58 . 1 1 10 10 CYS HB2 H 1 3.470 0.01 . 1 . . . . . . . . 4148 1 59 . 1 1 10 10 CYS HB3 H 1 2.870 0.01 . 1 . . . . . . . . 4148 1 60 . 1 1 11 11 GLY H H 1 6.777 0.01 . 1 . . . . . . . . 4148 1 61 . 1 1 11 11 GLY HA2 H 1 4.267 0.01 . 1 . . . . . . . . 4148 1 62 . 1 1 11 11 GLY HA3 H 1 3.788 0.01 . 1 . . . . . . . . 4148 1 63 . 1 1 12 12 GLY H H 1 8.557 0.01 . 1 . . . . . . . . 4148 1 64 . 1 1 12 12 GLY HA2 H 1 4.338 0.01 . 1 . . . . . . . . 4148 1 65 . 1 1 12 12 GLY HA3 H 1 3.739 0.01 . 1 . . . . . . . . 4148 1 66 . 1 1 13 13 ILE H H 1 8.454 0.01 . 1 . . . . . . . . 4148 1 67 . 1 1 13 13 ILE HA H 1 3.784 0.01 . 1 . . . . . . . . 4148 1 68 . 1 1 13 13 ILE HB H 1 1.172 0.01 . 1 . . . . . . . . 4148 1 69 . 1 1 13 13 ILE HG12 H 1 1.471 0.01 . 1 . . . . . . . . 4148 1 70 . 1 1 13 13 ILE HG13 H 1 0.966 0.01 . 1 . . . . . . . . 4148 1 71 . 1 1 13 13 ILE HG21 H 1 0.857 0.01 . 1 . . . . . . . . 4148 1 72 . 1 1 13 13 ILE HG22 H 1 0.857 0.01 . 1 . . . . . . . . 4148 1 73 . 1 1 13 13 ILE HG23 H 1 0.857 0.01 . 1 . . . . . . . . 4148 1 74 . 1 1 13 13 ILE HD11 H 1 0.501 0.01 . 9 . . . . . . . . 4148 1 75 . 1 1 13 13 ILE HD12 H 1 0.501 0.01 . 9 . . . . . . . . 4148 1 76 . 1 1 13 13 ILE HD13 H 1 0.501 0.01 . 9 . . . . . . . . 4148 1 77 . 1 1 14 14 GLY H H 1 9.050 0.01 . 1 . . . . . . . . 4148 1 78 . 1 1 14 14 GLY HA2 H 1 4.295 0.01 . 1 . . . . . . . . 4148 1 79 . 1 1 14 14 GLY HA3 H 1 3.755 0.01 . 1 . . . . . . . . 4148 1 80 . 1 1 15 15 TYR H H 1 7.949 0.01 . 1 . . . . . . . . 4148 1 81 . 1 1 15 15 TYR HA H 1 4.695 0.01 . 1 . . . . . . . . 4148 1 82 . 1 1 15 15 TYR HB2 H 1 2.880 0.01 . 1 . . . . . . . . 4148 1 83 . 1 1 15 15 TYR HB3 H 1 2.880 0.01 . 1 . . . . . . . . 4148 1 84 . 1 1 15 15 TYR HD1 H 1 7.394 0.01 . 1 . . . . . . . . 4148 1 85 . 1 1 15 15 TYR HD2 H 1 7.394 0.01 . 1 . . . . . . . . 4148 1 86 . 1 1 15 15 TYR HE1 H 1 6.960 0.01 . 1 . . . . . . . . 4148 1 87 . 1 1 15 15 TYR HE2 H 1 6.960 0.01 . 1 . . . . . . . . 4148 1 88 . 1 1 16 16 SER H H 1 8.702 0.01 . 1 . . . . . . . . 4148 1 89 . 1 1 16 16 SER HA H 1 4.493 0.01 . 1 . . . . . . . . 4148 1 90 . 1 1 16 16 SER HB2 H 1 3.847 0.01 . 1 . . . . . . . . 4148 1 91 . 1 1 16 16 SER HB3 H 1 3.673 0.01 . 1 . . . . . . . . 4148 1 92 . 1 1 17 17 GLY HA2 H 1 4.101 0.01 . 1 . . . . . . . . 4148 1 93 . 1 1 17 17 GLY HA3 H 1 3.421 0.01 . 1 . . . . . . . . 4148 1 94 . 1 1 18 18 CYS H H 1 8.557 0.01 . 1 . . . . . . . . 4148 1 95 . 1 1 18 18 CYS HA H 1 4.287 0.01 . 1 . . . . . . . . 4148 1 96 . 1 1 18 18 CYS HB2 H 1 2.795 0.01 . 1 . . . . . . . . 4148 1 97 . 1 1 18 18 CYS HB3 H 1 2.976 0.01 . 1 . . . . . . . . 4148 1 98 . 1 1 19 19 LYS H H 1 8.836 0.01 . 1 . . . . . . . . 4148 1 99 . 1 1 19 19 LYS HB2 H 1 2.302 0.01 . 1 . . . . . . . . 4148 1 100 . 1 1 19 19 LYS HB3 H 1 1.813 0.01 . 1 . . . . . . . . 4148 1 101 . 1 1 19 19 LYS HG2 H 1 1.309 0.01 . 1 . . . . . . . . 4148 1 102 . 1 1 19 19 LYS HG3 H 1 1.309 0.01 . 1 . . . . . . . . 4148 1 103 . 1 1 19 19 LYS HD2 H 1 1.686 0.01 . 1 . . . . . . . . 4148 1 104 . 1 1 19 19 LYS HD3 H 1 1.686 0.01 . 1 . . . . . . . . 4148 1 105 . 1 1 19 19 LYS HE2 H 1 3.035 0.01 . 1 . . . . . . . . 4148 1 106 . 1 1 19 19 LYS HE3 H 1 3.035 0.01 . 1 . . . . . . . . 4148 1 107 . 1 1 19 19 LYS HZ1 H 1 7.584 0.01 . 1 . . . . . . . . 4148 1 108 . 1 1 19 19 LYS HZ2 H 1 7.584 0.01 . 1 . . . . . . . . 4148 1 109 . 1 1 19 19 LYS HZ3 H 1 7.584 0.01 . 1 . . . . . . . . 4148 1 110 . 1 1 20 20 THR H H 1 7.582 0.01 . 1 . . . . . . . . 4148 1 111 . 1 1 20 20 THR HA H 1 4.306 0.01 . 1 . . . . . . . . 4148 1 112 . 1 1 20 20 THR HB H 1 4.185 0.01 . 1 . . . . . . . . 4148 1 113 . 1 1 20 20 THR HG21 H 1 1.251 0.01 . 9 . . . . . . . . 4148 1 114 . 1 1 20 20 THR HG22 H 1 1.251 0.01 . 9 . . . . . . . . 4148 1 115 . 1 1 20 20 THR HG23 H 1 1.251 0.01 . 9 . . . . . . . . 4148 1 116 . 1 1 21 21 CYS H H 1 8.892 0.01 . 1 . . . . . . . . 4148 1 117 . 1 1 21 21 CYS HA H 1 4.482 0.01 . 1 . . . . . . . . 4148 1 118 . 1 1 21 21 CYS HB2 H 1 3.740 0.01 . 1 . . . . . . . . 4148 1 119 . 1 1 21 21 CYS HB3 H 1 2.205 0.01 . 1 . . . . . . . . 4148 1 120 . 1 1 22 22 THR H H 1 8.120 0.01 . 1 . . . . . . . . 4148 1 121 . 1 1 22 22 THR HA H 1 4.029 0.01 . 1 . . . . . . . . 4148 1 122 . 1 1 22 22 THR HB H 1 4.081 0.01 . 1 . . . . . . . . 4148 1 123 . 1 1 22 22 THR HG21 H 1 1.111 0.01 . 9 . . . . . . . . 4148 1 124 . 1 1 22 22 THR HG22 H 1 1.111 0.01 . 9 . . . . . . . . 4148 1 125 . 1 1 22 22 THR HG23 H 1 1.111 0.01 . 9 . . . . . . . . 4148 1 126 . 1 1 23 23 SER H H 1 8.229 0.01 . 1 . . . . . . . . 4148 1 127 . 1 1 23 23 SER HA H 1 4.196 0.01 . 1 . . . . . . . . 4148 1 128 . 1 1 23 23 SER HB2 H 1 3.880 0.01 . 1 . . . . . . . . 4148 1 129 . 1 1 23 23 SER HB3 H 1 3.880 0.01 . 1 . . . . . . . . 4148 1 130 . 1 1 24 24 GLY H H 1 8.908 0.01 . 1 . . . . . . . . 4148 1 131 . 1 1 24 24 GLY HA2 H 1 4.253 0.01 . 1 . . . . . . . . 4148 1 132 . 1 1 24 24 GLY HA3 H 1 3.590 0.01 . 1 . . . . . . . . 4148 1 133 . 1 1 25 25 THR H H 1 8.087 0.01 . 1 . . . . . . . . 4148 1 134 . 1 1 25 25 THR HA H 1 4.660 0.01 . 1 . . . . . . . . 4148 1 135 . 1 1 25 25 THR HB H 1 3.590 0.01 . 1 . . . . . . . . 4148 1 136 . 1 1 25 25 THR HG21 H 1 0.304 0.01 . 9 . . . . . . . . 4148 1 137 . 1 1 25 25 THR HG22 H 1 0.304 0.01 . 9 . . . . . . . . 4148 1 138 . 1 1 25 25 THR HG23 H 1 0.304 0.01 . 9 . . . . . . . . 4148 1 139 . 1 1 26 26 THR H H 1 9.099 0.01 . 1 . . . . . . . . 4148 1 140 . 1 1 26 26 THR HA H 1 4.486 0.01 . 1 . . . . . . . . 4148 1 141 . 1 1 26 26 THR HB H 1 4.015 0.01 . 1 . . . . . . . . 4148 1 142 . 1 1 26 26 THR HG21 H 1 1.108 0.01 . 9 . . . . . . . . 4148 1 143 . 1 1 26 26 THR HG22 H 1 1.108 0.01 . 9 . . . . . . . . 4148 1 144 . 1 1 26 26 THR HG23 H 1 1.108 0.01 . 9 . . . . . . . . 4148 1 145 . 1 1 27 27 CYS H H 1 8.943 0.01 . 1 . . . . . . . . 4148 1 146 . 1 1 27 27 CYS HA H 1 4.582 0.01 . 1 . . . . . . . . 4148 1 147 . 1 1 27 27 CYS HB2 H 1 3.172 0.01 . 1 . . . . . . . . 4148 1 148 . 1 1 27 27 CYS HB3 H 1 2.966 0.01 . 1 . . . . . . . . 4148 1 149 . 1 1 28 28 GLN H H 1 9.117 0.01 . 1 . . . . . . . . 4148 1 150 . 1 1 28 28 GLN HA H 1 4.650 0.01 . 1 . . . . . . . . 4148 1 151 . 1 1 28 28 GLN HB2 H 1 2.145 0.01 . 1 . . . . . . . . 4148 1 152 . 1 1 28 28 GLN HB3 H 1 1.973 0.01 . 1 . . . . . . . . 4148 1 153 . 1 1 28 28 GLN HG2 H 1 2.448 0.01 . 1 . . . . . . . . 4148 1 154 . 1 1 28 28 GLN HG3 H 1 2.313 0.01 . 1 . . . . . . . . 4148 1 155 . 1 1 28 28 GLN HE21 H 1 7.217 0.01 . 1 . . . . . . . . 4148 1 156 . 1 1 28 28 GLN HE22 H 1 6.809 0.01 . 1 . . . . . . . . 4148 1 157 . 1 1 29 29 TYR H H 1 8.886 0.01 . 1 . . . . . . . . 4148 1 158 . 1 1 29 29 TYR HA H 1 4.475 0.01 . 1 . . . . . . . . 4148 1 159 . 1 1 29 29 TYR HB2 H 1 2.985 0.01 . 1 . . . . . . . . 4148 1 160 . 1 1 29 29 TYR HB3 H 1 2.855 0.01 . 1 . . . . . . . . 4148 1 161 . 1 1 29 29 TYR HD1 H 1 6.879 0.01 . 1 . . . . . . . . 4148 1 162 . 1 1 29 29 TYR HD2 H 1 6.879 0.01 . 1 . . . . . . . . 4148 1 163 . 1 1 29 29 TYR HE1 H 1 6.620 0.01 . 1 . . . . . . . . 4148 1 164 . 1 1 29 29 TYR HE2 H 1 6.620 0.01 . 1 . . . . . . . . 4148 1 165 . 1 1 30 30 SER H H 1 7.781 0.01 . 1 . . . . . . . . 4148 1 166 . 1 1 30 30 SER HB2 H 1 3.907 0.01 . 1 . . . . . . . . 4148 1 167 . 1 1 30 30 SER HB3 H 1 3.907 0.01 . 1 . . . . . . . . 4148 1 168 . 1 1 31 31 ASN H H 1 8.116 0.01 . 1 . . . . . . . . 4148 1 169 . 1 1 31 31 ASN HA H 1 4.352 0.01 . 1 . . . . . . . . 4148 1 170 . 1 1 31 31 ASN HB2 H 1 4.124 0.01 . 1 . . . . . . . . 4148 1 171 . 1 1 31 31 ASN HB3 H 1 3.087 0.01 . 1 . . . . . . . . 4148 1 172 . 1 1 31 31 ASN HD21 H 1 7.666 0.01 . 1 . . . . . . . . 4148 1 173 . 1 1 31 31 ASN HD22 H 1 7.177 0.01 . 1 . . . . . . . . 4148 1 174 . 1 1 32 32 ASP H H 1 9.232 0.01 . 1 . . . . . . . . 4148 1 175 . 1 1 32 32 ASP HA H 1 4.404 0.01 . 1 . . . . . . . . 4148 1 176 . 1 1 32 32 ASP HB2 H 1 2.554 0.01 . 1 . . . . . . . . 4148 1 177 . 1 1 32 32 ASP HB3 H 1 2.554 0.01 . 1 . . . . . . . . 4148 1 178 . 1 1 33 33 TYR H H 1 8.729 0.01 . 1 . . . . . . . . 4148 1 179 . 1 1 33 33 TYR HA H 1 4.350 0.01 . 1 . . . . . . . . 4148 1 180 . 1 1 33 33 TYR HB2 H 1 3.344 0.01 . 1 . . . . . . . . 4148 1 181 . 1 1 33 33 TYR HB3 H 1 2.803 0.01 . 1 . . . . . . . . 4148 1 182 . 1 1 33 33 TYR HD1 H 1 6.962 0.01 . 1 . . . . . . . . 4148 1 183 . 1 1 33 33 TYR HD2 H 1 6.962 0.01 . 1 . . . . . . . . 4148 1 184 . 1 1 33 33 TYR HE1 H 1 6.672 0.01 . 1 . . . . . . . . 4148 1 185 . 1 1 33 33 TYR HE2 H 1 6.672 0.01 . 1 . . . . . . . . 4148 1 186 . 1 1 34 34 TYR H H 1 7.695 0.01 . 1 . . . . . . . . 4148 1 187 . 1 1 34 34 TYR HA H 1 4.545 0.01 . 1 . . . . . . . . 4148 1 188 . 1 1 34 34 TYR HB2 H 1 2.869 0.01 . 1 . . . . . . . . 4148 1 189 . 1 1 34 34 TYR HB3 H 1 2.501 0.01 . 1 . . . . . . . . 4148 1 190 . 1 1 34 34 TYR HD1 H 1 6.814 0.01 . 1 . . . . . . . . 4148 1 191 . 1 1 34 34 TYR HD2 H 1 6.814 0.01 . 1 . . . . . . . . 4148 1 192 . 1 1 34 34 TYR HE1 H 1 6.431 0.01 . 1 . . . . . . . . 4148 1 193 . 1 1 34 34 TYR HE2 H 1 6.431 0.01 . 1 . . . . . . . . 4148 1 194 . 1 1 35 35 SER H H 1 6.474 0.01 . 1 . . . . . . . . 4148 1 195 . 1 1 35 35 SER HB2 H 1 3.496 0.01 . 1 . . . . . . . . 4148 1 196 . 1 1 35 35 SER HB3 H 1 2.788 0.01 . 1 . . . . . . . . 4148 1 197 . 1 1 36 36 GLN H H 1 8.568 0.01 . 1 . . . . . . . . 4148 1 198 . 1 1 36 36 GLN HB2 H 1 1.786 0.01 . 1 . . . . . . . . 4148 1 199 . 1 1 36 36 GLN HB3 H 1 1.623 0.01 . 1 . . . . . . . . 4148 1 200 . 1 1 36 36 GLN HG2 H 1 2.088 0.01 . 1 . . . . . . . . 4148 1 201 . 1 1 36 36 GLN HG3 H 1 2.007 0.01 . 1 . . . . . . . . 4148 1 202 . 1 1 36 36 GLN HE21 H 1 8.122 0.01 . 1 . . . . . . . . 4148 1 203 . 1 1 36 36 GLN HE22 H 1 6.892 0.01 . 1 . . . . . . . . 4148 1 204 . 1 1 37 37 CYS H H 1 8.660 0.01 . 1 . . . . . . . . 4148 1 205 . 1 1 37 37 CYS HA H 1 5.050 0.01 . 1 . . . . . . . . 4148 1 206 . 1 1 37 37 CYS HB2 H 1 2.927 0.01 . 1 . . . . . . . . 4148 1 207 . 1 1 37 37 CYS HB3 H 1 2.927 0.01 . 1 . . . . . . . . 4148 1 208 . 1 1 38 38 LEU H H 1 8.988 0.01 . 1 . . . . . . . . 4148 1 209 . 1 1 38 38 LEU HA H 1 4.358 0.01 . 1 . . . . . . . . 4148 1 210 . 1 1 38 38 LEU HB2 H 1 1.546 0.01 . 1 . . . . . . . . 4148 1 211 . 1 1 38 38 LEU HB3 H 1 1.546 0.01 . 1 . . . . . . . . 4148 1 212 . 1 1 38 38 LEU HG H 1 1.357 0.01 . 1 . . . . . . . . 4148 1 213 . 1 1 38 38 LEU HD11 H 1 0.915 0.01 . 9 . . . . . . . . 4148 1 214 . 1 1 38 38 LEU HD12 H 1 0.915 0.01 . 9 . . . . . . . . 4148 1 215 . 1 1 38 38 LEU HD13 H 1 0.915 0.01 . 9 . . . . . . . . 4148 1 216 . 1 1 38 38 LEU HD21 H 1 0.915 0.01 . 9 . . . . . . . . 4148 1 217 . 1 1 38 38 LEU HD22 H 1 0.915 0.01 . 9 . . . . . . . . 4148 1 218 . 1 1 38 38 LEU HD23 H 1 0.915 0.01 . 9 . . . . . . . . 4148 1 stop_ save_