################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4266 _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 . 4266 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 GLY HA2 H 1 3.992 . . . . . . . . . . . 4266 1 2 . 1 1 2 2 ILE H H 1 8.495 . . . . . . . . . . . 4266 1 3 . 1 1 2 2 ILE HA H 1 3.940 . . . . . . . . . . . 4266 1 4 . 1 1 2 2 ILE HB H 1 1.325 . . . . . . . . . . . 4266 1 5 . 1 1 2 2 ILE HG12 H 1 1.224 . . . . . . . . . . . 4266 1 6 . 1 1 2 2 ILE HG13 H 1 1.151 . . . . . . . . . . . 4266 1 7 . 1 1 2 2 ILE HD11 H 1 0.606 . . . . . . . . . . . 4266 1 8 . 1 1 2 2 ILE HD12 H 1 0.606 . . . . . . . . . . . 4266 1 9 . 1 1 2 2 ILE HD13 H 1 0.606 . . . . . . . . . . . 4266 1 10 . 1 1 2 2 ILE HG21 H 1 0.739 . . . . . . . . . . . 4266 1 11 . 1 1 2 2 ILE HG22 H 1 0.739 . . . . . . . . . . . 4266 1 12 . 1 1 2 2 ILE HG23 H 1 0.739 . . . . . . . . . . . 4266 1 13 . 1 1 3 3 VAL H H 1 8.098 . . . . . . . . . . . 4266 1 14 . 1 1 3 3 VAL HA H 1 3.629 . . . . . . . . . . . 4266 1 15 . 1 1 3 3 VAL HB H 1 1.906 . . . . . . . . . . . 4266 1 16 . 1 1 3 3 VAL HG11 H 1 0.864 . . . . . . . . . . . 4266 1 17 . 1 1 3 3 VAL HG12 H 1 0.864 . . . . . . . . . . . 4266 1 18 . 1 1 3 3 VAL HG13 H 1 0.864 . . . . . . . . . . . 4266 1 19 . 1 1 4 4 GLU H H 1 8.094 . . . . . . . . . . . 4266 1 20 . 1 1 4 4 GLU HA H 1 4.221 . . . . . . . . . . . 4266 1 21 . 1 1 4 4 GLU HB2 H 1 2.091 . . . . . . . . . . . 4266 1 22 . 1 1 4 4 GLU HB3 H 1 2.091 . . . . . . . . . . . 4266 1 23 . 1 1 4 4 GLU HG2 H 1 2.500 . . . . . . . . . . . 4266 1 24 . 1 1 4 4 GLU HG3 H 1 2.500 . . . . . . . . . . . 4266 1 25 . 1 1 5 5 GLN H H 1 8.229 . . . . . . . . . . . 4266 1 26 . 1 1 5 5 GLN HA H 1 4.054 . . . . . . . . . . . 4266 1 27 . 1 1 5 5 GLN HB2 H 1 2.099 . . . . . . . . . . . 4266 1 28 . 1 1 5 5 GLN HB3 H 1 2.099 . . . . . . . . . . . 4266 1 29 . 1 1 5 5 GLN HG2 H 1 2.483 . . . . . . . . . . . 4266 1 30 . 1 1 5 5 GLN HG3 H 1 2.399 . . . . . . . . . . . 4266 1 31 . 1 1 6 6 CYS H H 1 8.280 . . . . . . . . . . . 4266 1 32 . 1 1 6 6 CYS HA H 1 4.878 . . . . . . . . . . . 4266 1 33 . 1 1 6 6 CYS HB2 H 1 2.856 . . . . . . . . . . . 4266 1 34 . 1 1 6 6 CYS HB3 H 1 3.320 . . . . . . . . . . . 4266 1 35 . 1 1 7 7 CYS H H 1 8.260 . . . . . . . . . . . 4266 1 36 . 1 1 7 7 CYS HA H 1 4.830 . . . . . . . . . . . 4266 1 37 . 1 1 7 7 CYS HB2 H 1 3.302 . . . . . . . . . . . 4266 1 38 . 1 1 7 7 CYS HB3 H 1 3.760 . . . . . . . . . . . 4266 1 39 . 1 1 8 8 THR H H 1 8.239 . . . . . . . . . . . 4266 1 40 . 1 1 8 8 THR HA H 1 4.029 . . . . . . . . . . . 4266 1 41 . 1 1 8 8 THR HB H 1 4.372 . . . . . . . . . . . 4266 1 42 . 1 1 8 8 THR HG21 H 1 1.222 . . . . . . . . . . . 4266 1 43 . 1 1 8 8 THR HG22 H 1 1.222 . . . . . . . . . . . 4266 1 44 . 1 1 8 8 THR HG23 H 1 1.222 . . . . . . . . . . . 4266 1 45 . 1 1 9 9 SER H H 1 7.441 . . . . . . . . . . . 4266 1 46 . 1 1 9 9 SER HA H 1 4.763 . . . . . . . . . . . 4266 1 47 . 1 1 9 9 SER HB2 H 1 3.874 . . . . . . . . . . . 4266 1 48 . 1 1 9 9 SER HB3 H 1 4.028 . . . . . . . . . . . 4266 1 49 . 1 1 10 10 ILE H H 1 7.808 . . . . . . . . . . . 4266 1 50 . 1 1 10 10 ILE HA H 1 4.351 . . . . . . . . . . . 4266 1 51 . 1 1 10 10 ILE HB H 1 1.540 . . . . . . . . . . . 4266 1 52 . 1 1 10 10 ILE HG12 H 1 1.072 . . . . . . . . . . . 4266 1 53 . 1 1 10 10 ILE HG13 H 1 0.434 . . . . . . . . . . . 4266 1 54 . 1 1 10 10 ILE HD11 H 1 0.506 . . . . . . . . . . . 4266 1 55 . 1 1 10 10 ILE HD12 H 1 0.506 . . . . . . . . . . . 4266 1 56 . 1 1 10 10 ILE HD13 H 1 0.506 . . . . . . . . . . . 4266 1 57 . 1 1 10 10 ILE HG21 H 1 0.615 . . . . . . . . . . . 4266 1 58 . 1 1 10 10 ILE HG22 H 1 0.615 . . . . . . . . . . . 4266 1 59 . 1 1 10 10 ILE HG23 H 1 0.615 . . . . . . . . . . . 4266 1 60 . 1 1 11 11 CYS H H 1 9.676 . . . . . . . . . . . 4266 1 61 . 1 1 12 12 SER H H 1 8.739 . . . . . . . . . . . 4266 1 62 . 1 1 12 12 SER HA H 1 4.588 . . . . . . . . . . . 4266 1 63 . 1 1 12 12 SER HB2 H 1 4.292 . . . . . . . . . . . 4266 1 64 . 1 1 12 12 SER HB3 H 1 3.986 . . . . . . . . . . . 4266 1 65 . 1 1 13 13 LEU H H 1 8.610 . . . . . . . . . . . 4266 1 66 . 1 1 13 13 LEU HA H 1 3.845 . . . . . . . . . . . 4266 1 67 . 1 1 13 13 LEU HB2 H 1 1.332 . . . . . . . . . . . 4266 1 68 . 1 1 13 13 LEU HB3 H 1 1.397 . . . . . . . . . . . 4266 1 69 . 1 1 13 13 LEU HG H 1 1.332 . . . . . . . . . . . 4266 1 70 . 1 1 13 13 LEU HD11 H 1 0.785 . . . . . . . . . . . 4266 1 71 . 1 1 13 13 LEU HD12 H 1 0.785 . . . . . . . . . . . 4266 1 72 . 1 1 13 13 LEU HD13 H 1 0.785 . . . . . . . . . . . 4266 1 73 . 1 1 13 13 LEU HD21 H 1 0.723 . . . . . . . . . . . 4266 1 74 . 1 1 13 13 LEU HD22 H 1 0.723 . . . . . . . . . . . 4266 1 75 . 1 1 13 13 LEU HD23 H 1 0.723 . . . . . . . . . . . 4266 1 76 . 1 1 14 14 TYR H H 1 7.471 . . . . . . . . . . . 4266 1 77 . 1 1 14 14 TYR HA H 1 4.142 . . . . . . . . . . . 4266 1 78 . 1 1 14 14 TYR HB2 H 1 2.977 . . . . . . . . . . . 4266 1 79 . 1 1 14 14 TYR HB3 H 1 2.889 . . . . . . . . . . . 4266 1 80 . 1 1 14 14 TYR HD1 H 1 7.036 . . . . . . . . . . . 4266 1 81 . 1 1 14 14 TYR HE1 H 1 6.816 . . . . . . . . . . . 4266 1 82 . 1 1 15 15 GLN H H 1 7.541 . . . . . . . . . . . 4266 1 83 . 1 1 15 15 GLN HA H 1 3.967 . . . . . . . . . . . 4266 1 84 . 1 1 15 15 GLN HB2 H 1 2.017 . . . . . . . . . . . 4266 1 85 . 1 1 15 15 GLN HG2 H 1 2.383 . . . . . . . . . . . 4266 1 86 . 1 1 15 15 GLN HG3 H 1 2.383 . . . . . . . . . . . 4266 1 87 . 1 1 15 15 GLN HE21 H 1 7.474 . . . . . . . . . . . 4266 1 88 . 1 1 16 16 LEU H H 1 8.075 . . . . . . . . . . . 4266 1 89 . 1 1 16 16 LEU HA H 1 4.159 . . . . . . . . . . . 4266 1 90 . 1 1 16 16 LEU HB2 H 1 1.919 . . . . . . . . . . . 4266 1 91 . 1 1 16 16 LEU HB3 H 1 1.584 . . . . . . . . . . . 4266 1 92 . 1 1 16 16 LEU HG H 1 1.731 . . . . . . . . . . . 4266 1 93 . 1 1 16 16 LEU HD11 H 1 0.799 . . . . . . . . . . . 4266 1 94 . 1 1 16 16 LEU HD12 H 1 0.799 . . . . . . . . . . . 4266 1 95 . 1 1 16 16 LEU HD13 H 1 0.799 . . . . . . . . . . . 4266 1 96 . 1 1 16 16 LEU HD21 H 1 0.834 . . . . . . . . . . . 4266 1 97 . 1 1 16 16 LEU HD22 H 1 0.834 . . . . . . . . . . . 4266 1 98 . 1 1 16 16 LEU HD23 H 1 0.834 . . . . . . . . . . . 4266 1 99 . 1 1 17 17 GLU H H 1 8.064 . . . . . . . . . . . 4266 1 100 . 1 1 17 17 GLU HA H 1 4.162 . . . . . . . . . . . 4266 1 101 . 1 1 17 17 GLU HB2 H 1 2.035 . . . . . . . . . . . 4266 1 102 . 1 1 17 17 GLU HB3 H 1 2.110 . . . . . . . . . . . 4266 1 103 . 1 1 17 17 GLU HG2 H 1 2.311 . . . . . . . . . . . 4266 1 104 . 1 1 17 17 GLU HG3 H 1 2.552 . . . . . . . . . . . 4266 1 105 . 1 1 18 18 ASN H H 1 7.417 . . . . . . . . . . . 4266 1 106 . 1 1 18 18 ASN HA H 1 4.462 . . . . . . . . . . . 4266 1 107 . 1 1 18 18 ASN HB2 H 1 2.533 . . . . . . . . . . . 4266 1 108 . 1 1 18 18 ASN HB3 H 1 2.598 . . . . . . . . . . . 4266 1 109 . 1 1 18 18 ASN HD21 H 1 7.147 . . . . . . . . . . . 4266 1 110 . 1 1 18 18 ASN HD22 H 1 6.502 . . . . . . . . . . . 4266 1 111 . 1 1 19 19 TYR H H 1 7.894 . . . . . . . . . . . 4266 1 112 . 1 1 19 19 TYR HA H 1 4.463 . . . . . . . . . . . 4266 1 113 . 1 1 19 19 TYR HB2 H 1 2.994 . . . . . . . . . . . 4266 1 114 . 1 1 19 19 TYR HB3 H 1 3.300 . . . . . . . . . . . 4266 1 115 . 1 1 19 19 TYR HD1 H 1 7.303 . . . . . . . . . . . 4266 1 116 . 1 1 19 19 TYR HE1 H 1 6.747 . . . . . . . . . . . 4266 1 117 . 1 1 20 20 CYS H H 1 7.448 . . . . . . . . . . . 4266 1 118 . 1 1 20 20 CYS HA H 1 4.774 . . . . . . . . . . . 4266 1 119 . 1 1 20 20 CYS HB2 H 1 3.240 . . . . . . . . . . . 4266 1 120 . 1 1 20 20 CYS HB3 H 1 2.837 . . . . . . . . . . . 4266 1 121 . 1 1 21 21 ASN H H 1 8.256 . . . . . . . . . . . 4266 1 122 . 1 1 21 21 ASN HA H 1 4.703 . . . . . . . . . . . 4266 1 123 . 1 1 21 21 ASN HB2 H 1 2.861 . . . . . . . . . . . 4266 1 124 . 1 1 21 21 ASN HB3 H 1 2.758 . . . . . . . . . . . 4266 1 125 . 1 1 21 21 ASN HD21 H 1 6.700 . . . . . . . . . . . 4266 1 126 . 1 1 21 21 ASN HD22 H 1 7.509 . . . . . . . . . . . 4266 1 127 . 1 1 22 22 PHE HA H 1 4.252 . . . . . . . . . . . 4266 1 128 . 1 1 22 22 PHE HB2 H 1 3.144 . . . . . . . . . . . 4266 1 129 . 1 1 22 22 PHE HB3 H 1 3.144 . . . . . . . . . . . 4266 1 130 . 1 1 22 22 PHE HD1 H 1 7.197 . . . . . . . . . . . 4266 1 131 . 1 1 22 22 PHE HE1 H 1 7.334 . . . . . . . . . . . 4266 1 132 . 1 1 22 22 PHE HZ H 1 7.233 . . . . . . . . . . . 4266 1 133 . 1 1 23 23 VAL H H 1 8.134 . . . . . . . . . . . 4266 1 134 . 1 1 23 23 VAL HA H 1 4.114 . . . . . . . . . . . 4266 1 135 . 1 1 23 23 VAL HB H 1 1.886 . . . . . . . . . . . 4266 1 136 . 1 1 23 23 VAL HG11 H 1 0.841 . . . . . . . . . . . 4266 1 137 . 1 1 23 23 VAL HG12 H 1 0.841 . . . . . . . . . . . 4266 1 138 . 1 1 23 23 VAL HG13 H 1 0.841 . . . . . . . . . . . 4266 1 139 . 1 1 23 23 VAL HG21 H 1 0.841 . . . . . . . . . . . 4266 1 140 . 1 1 23 23 VAL HG22 H 1 0.841 . . . . . . . . . . . 4266 1 141 . 1 1 23 23 VAL HG23 H 1 0.841 . . . . . . . . . . . 4266 1 142 . 1 1 24 24 ASN H H 1 8.453 . . . . . . . . . . . 4266 1 143 . 1 1 24 24 ASN HA H 1 4.705 . . . . . . . . . . . 4266 1 144 . 1 1 24 24 ASN HB2 H 1 2.707 . . . . . . . . . . . 4266 1 145 . 1 1 24 24 ASN HB3 H 1 2.707 . . . . . . . . . . . 4266 1 146 . 1 1 24 24 ASN HD21 H 1 7.324 . . . . . . . . . . . 4266 1 147 . 1 1 24 24 ASN HD22 H 1 6.897 . . . . . . . . . . . 4266 1 148 . 1 1 25 25 GLN H H 1 8.403 . . . . . . . . . . . 4266 1 149 . 1 1 25 25 GLN HA H 1 4.480 . . . . . . . . . . . 4266 1 150 . 1 1 25 25 GLN HB2 H 1 2.128 . . . . . . . . . . . 4266 1 151 . 1 1 25 25 GLN HB3 H 1 1.899 . . . . . . . . . . . 4266 1 152 . 1 1 25 25 GLN HG2 H 1 2.252 . . . . . . . . . . . 4266 1 153 . 1 1 25 25 GLN HG3 H 1 2.252 . . . . . . . . . . . 4266 1 154 . 1 1 25 25 GLN HE21 H 1 7.324 . . . . . . . . . . . 4266 1 155 . 1 1 25 25 GLN HE22 H 1 6.782 . . . . . . . . . . . 4266 1 156 . 1 1 26 26 HIS H H 1 8.617 . . . . . . . . . . . 4266 1 157 . 1 1 26 26 HIS HA H 1 4.440 . . . . . . . . . . . 4266 1 158 . 1 1 26 26 HIS HB2 H 1 3.247 . . . . . . . . . . . 4266 1 159 . 1 1 26 26 HIS HB3 H 1 3.543 . . . . . . . . . . . 4266 1 160 . 1 1 26 26 HIS HE1 H 1 8.564 . . . . . . . . . . . 4266 1 161 . 1 1 26 26 HIS HD1 H 1 7.381 . . . . . . . . . . . 4266 1 162 . 1 1 27 27 LEU H H 1 8.967 . . . . . . . . . . . 4266 1 163 . 1 1 27 27 LEU HA H 1 4.497 . . . . . . . . . . . 4266 1 164 . 1 1 27 27 LEU HB2 H 1 1.757 . . . . . . . . . . . 4266 1 165 . 1 1 27 27 LEU HG H 1 1.600 . . . . . . . . . . . 4266 1 166 . 1 1 27 27 LEU HD11 H 1 0.882 . . . . . . . . . . . 4266 1 167 . 1 1 27 27 LEU HD12 H 1 0.882 . . . . . . . . . . . 4266 1 168 . 1 1 27 27 LEU HD13 H 1 0.882 . . . . . . . . . . . 4266 1 169 . 1 1 27 27 LEU HD21 H 1 0.721 . . . . . . . . . . . 4266 1 170 . 1 1 27 27 LEU HD22 H 1 0.721 . . . . . . . . . . . 4266 1 171 . 1 1 27 27 LEU HD23 H 1 0.721 . . . . . . . . . . . 4266 1 172 . 1 1 28 28 CYS H H 1 8.312 . . . . . . . . . . . 4266 1 173 . 1 1 28 28 CYS HA H 1 4.962 . . . . . . . . . . . 4266 1 174 . 1 1 28 28 CYS HB2 H 1 3.211 . . . . . . . . . . . 4266 1 175 . 1 1 28 28 CYS HB3 H 1 2.951 . . . . . . . . . . . 4266 1 176 . 1 1 29 29 GLY H H 1 9.219 . . . . . . . . . . . 4266 1 177 . 1 1 29 29 GLY HA2 H 1 3.980 . . . . . . . . . . . 4266 1 178 . 1 1 29 29 GLY HA3 H 1 3.823 . . . . . . . . . . . 4266 1 179 . 1 1 30 30 SER H H 1 9.056 . . . . . . . . . . . 4266 1 180 . 1 1 30 30 SER HA H 1 4.112 . . . . . . . . . . . 4266 1 181 . 1 1 30 30 SER HB2 H 1 3.890 . . . . . . . . . . . 4266 1 182 . 1 1 30 30 SER HB3 H 1 3.890 . . . . . . . . . . . 4266 1 183 . 1 1 31 31 HIS H H 1 7.999 . . . . . . . . . . . 4266 1 184 . 1 1 31 31 HIS HA H 1 4.514 . . . . . . . . . . . 4266 1 185 . 1 1 31 31 HIS HB2 H 1 3.576 . . . . . . . . . . . 4266 1 186 . 1 1 31 31 HIS HB3 H 1 3.305 . . . . . . . . . . . 4266 1 187 . 1 1 31 31 HIS HE1 H 1 8.671 . . . . . . . . . . . 4266 1 188 . 1 1 31 31 HIS HD1 H 1 7.458 . . . . . . . . . . . 4266 1 189 . 1 1 32 32 LEU H H 1 7.060 . . . . . . . . . . . 4266 1 190 . 1 1 32 32 LEU HA H 1 4.002 . . . . . . . . . . . 4266 1 191 . 1 1 32 32 LEU HB2 H 1 1.892 . . . . . . . . . . . 4266 1 192 . 1 1 32 32 LEU HB3 H 1 1.233 . . . . . . . . . . . 4266 1 193 . 1 1 32 32 LEU HG H 1 1.319 . . . . . . . . . . . 4266 1 194 . 1 1 32 32 LEU HD11 H 1 0.930 . . . . . . . . . . . 4266 1 195 . 1 1 32 32 LEU HD12 H 1 0.930 . . . . . . . . . . . 4266 1 196 . 1 1 32 32 LEU HD13 H 1 0.930 . . . . . . . . . . . 4266 1 197 . 1 1 32 32 LEU HD21 H 1 0.930 . . . . . . . . . . . 4266 1 198 . 1 1 32 32 LEU HD22 H 1 0.930 . . . . . . . . . . . 4266 1 199 . 1 1 32 32 LEU HD23 H 1 0.930 . . . . . . . . . . . 4266 1 200 . 1 1 33 33 VAL H H 1 7.176 . . . . . . . . . . . 4266 1 201 . 1 1 33 33 VAL HA H 1 3.326 . . . . . . . . . . . 4266 1 202 . 1 1 33 33 VAL HB H 1 2.047 . . . . . . . . . . . 4266 1 203 . 1 1 33 33 VAL HG11 H 1 0.954 . . . . . . . . . . . 4266 1 204 . 1 1 33 33 VAL HG12 H 1 0.954 . . . . . . . . . . . 4266 1 205 . 1 1 33 33 VAL HG13 H 1 0.954 . . . . . . . . . . . 4266 1 206 . 1 1 33 33 VAL HG21 H 1 0.954 . . . . . . . . . . . 4266 1 207 . 1 1 33 33 VAL HG22 H 1 0.954 . . . . . . . . . . . 4266 1 208 . 1 1 33 33 VAL HG23 H 1 0.954 . . . . . . . . . . . 4266 1 209 . 1 1 34 34 GLU H H 1 7.938 . . . . . . . . . . . 4266 1 210 . 1 1 34 34 GLU HA H 1 4.090 . . . . . . . . . . . 4266 1 211 . 1 1 34 34 GLU HB2 H 1 2.083 . . . . . . . . . . . 4266 1 212 . 1 1 34 34 GLU HB3 H 1 2.083 . . . . . . . . . . . 4266 1 213 . 1 1 34 34 GLU HG2 H 1 2.533 . . . . . . . . . . . 4266 1 214 . 1 1 34 34 GLU HG3 H 1 2.169 . . . . . . . . . . . 4266 1 215 . 1 1 35 35 ALA H H 1 7.748 . . . . . . . . . . . 4266 1 216 . 1 1 35 35 ALA HA H 1 4.081 . . . . . . . . . . . 4266 1 217 . 1 1 35 35 ALA HB1 H 1 1.485 . . . . . . . . . . . 4266 1 218 . 1 1 35 35 ALA HB2 H 1 1.485 . . . . . . . . . . . 4266 1 219 . 1 1 35 35 ALA HB3 H 1 1.485 . . . . . . . . . . . 4266 1 220 . 1 1 36 36 LEU H H 1 8.063 . . . . . . . . . . . 4266 1 221 . 1 1 36 36 LEU HA H 1 3.903 . . . . . . . . . . . 4266 1 222 . 1 1 36 36 LEU HG H 1 1.490 . . . . . . . . . . . 4266 1 223 . 1 1 36 36 LEU HD11 H 1 0.659 . . . . . . . . . . . 4266 1 224 . 1 1 36 36 LEU HD12 H 1 0.659 . . . . . . . . . . . 4266 1 225 . 1 1 36 36 LEU HD13 H 1 0.659 . . . . . . . . . . . 4266 1 226 . 1 1 36 36 LEU HD21 H 1 0.465 . . . . . . . . . . . 4266 1 227 . 1 1 36 36 LEU HD22 H 1 0.465 . . . . . . . . . . . 4266 1 228 . 1 1 36 36 LEU HD23 H 1 0.465 . . . . . . . . . . . 4266 1 229 . 1 1 37 37 TYR H H 1 8.173 . . . . . . . . . . . 4266 1 230 . 1 1 37 37 TYR HA H 1 4.256 . . . . . . . . . . . 4266 1 231 . 1 1 37 37 TYR HB2 H 1 3.130 . . . . . . . . . . . 4266 1 232 . 1 1 37 37 TYR HB3 H 1 3.130 . . . . . . . . . . . 4266 1 233 . 1 1 37 37 TYR HD1 H 1 7.112 . . . . . . . . . . . 4266 1 234 . 1 1 37 37 TYR HE1 H 1 6.756 . . . . . . . . . . . 4266 1 235 . 1 1 38 38 LEU H H 1 7.855 . . . . . . . . . . . 4266 1 236 . 1 1 38 38 LEU HA H 1 4.081 . . . . . . . . . . . 4266 1 237 . 1 1 38 38 LEU HB2 H 1 1.921 . . . . . . . . . . . 4266 1 238 . 1 1 38 38 LEU HB3 H 1 1.648 . . . . . . . . . . . 4266 1 239 . 1 1 38 38 LEU HG H 1 1.833 . . . . . . . . . . . 4266 1 240 . 1 1 38 38 LEU HD11 H 1 0.916 . . . . . . . . . . . 4266 1 241 . 1 1 38 38 LEU HD12 H 1 0.916 . . . . . . . . . . . 4266 1 242 . 1 1 38 38 LEU HD13 H 1 0.916 . . . . . . . . . . . 4266 1 243 . 1 1 38 38 LEU HD21 H 1 0.916 . . . . . . . . . . . 4266 1 244 . 1 1 38 38 LEU HD22 H 1 0.916 . . . . . . . . . . . 4266 1 245 . 1 1 38 38 LEU HD23 H 1 0.916 . . . . . . . . . . . 4266 1 246 . 1 1 39 39 VAL H H 1 8.511 . . . . . . . . . . . 4266 1 247 . 1 1 39 39 VAL HA H 1 3.847 . . . . . . . . . . . 4266 1 248 . 1 1 39 39 VAL HB H 1 2.096 . . . . . . . . . . . 4266 1 249 . 1 1 39 39 VAL HG11 H 1 1.011 . . . . . . . . . . . 4266 1 250 . 1 1 39 39 VAL HG12 H 1 1.011 . . . . . . . . . . . 4266 1 251 . 1 1 39 39 VAL HG13 H 1 1.011 . . . . . . . . . . . 4266 1 252 . 1 1 39 39 VAL HG21 H 1 0.872 . . . . . . . . . . . 4266 1 253 . 1 1 39 39 VAL HG22 H 1 0.872 . . . . . . . . . . . 4266 1 254 . 1 1 39 39 VAL HG23 H 1 0.872 . . . . . . . . . . . 4266 1 255 . 1 1 40 40 CYS H H 1 8.724 . . . . . . . . . . . 4266 1 256 . 1 1 40 40 CYS HA H 1 4.777 . . . . . . . . . . . 4266 1 257 . 1 1 40 40 CYS HB2 H 1 3.215 . . . . . . . . . . . 4266 1 258 . 1 1 40 40 CYS HB3 H 1 2.931 . . . . . . . . . . . 4266 1 259 . 1 1 41 41 GLY H H 1 7.721 . . . . . . . . . . . 4266 1 260 . 1 1 41 41 GLY HA2 H 1 3.935 . . . . . . . . . . . 4266 1 261 . 1 1 41 41 GLY HA3 H 1 3.935 . . . . . . . . . . . 4266 1 262 . 1 1 42 42 GLU H H 1 8.403 . . . . . . . . . . . 4266 1 263 . 1 1 42 42 GLU HA H 1 4.225 . . . . . . . . . . . 4266 1 264 . 1 1 42 42 GLU HB2 H 1 2.178 . . . . . . . . . . . 4266 1 265 . 1 1 42 42 GLU HB3 H 1 2.086 . . . . . . . . . . . 4266 1 266 . 1 1 42 42 GLU HG2 H 1 2.506 . . . . . . . . . . . 4266 1 267 . 1 1 42 42 GLU HG3 H 1 2.506 . . . . . . . . . . . 4266 1 268 . 1 1 43 43 ARG H H 1 7.982 . . . . . . . . . . . 4266 1 269 . 1 1 43 43 ARG HA H 1 4.208 . . . . . . . . . . . 4266 1 270 . 1 1 43 43 ARG HB2 H 1 1.947 . . . . . . . . . . . 4266 1 271 . 1 1 43 43 ARG HB3 H 1 1.947 . . . . . . . . . . . 4266 1 272 . 1 1 43 43 ARG HG2 H 1 1.756 . . . . . . . . . . . 4266 1 273 . 1 1 43 43 ARG HG3 H 1 1.756 . . . . . . . . . . . 4266 1 274 . 1 1 44 44 GLY H H 1 7.692 . . . . . . . . . . . 4266 1 275 . 1 1 44 44 GLY HA2 H 1 3.810 . . . . . . . . . . . 4266 1 276 . 1 1 44 44 GLY HA3 H 1 3.973 . . . . . . . . . . . 4266 1 277 . 1 1 45 45 PHE H H 1 7.719 . . . . . . . . . . . 4266 1 278 . 1 1 45 45 PHE HA H 1 4.839 . . . . . . . . . . . 4266 1 279 . 1 1 45 45 PHE HB2 H 1 2.935 . . . . . . . . . . . 4266 1 280 . 1 1 45 45 PHE HB3 H 1 3.106 . . . . . . . . . . . 4266 1 281 . 1 1 45 45 PHE HD1 H 1 6.939 . . . . . . . . . . . 4266 1 282 . 1 1 45 45 PHE HE1 H 1 7.069 . . . . . . . . . . . 4266 1 283 . 1 1 46 46 PHE H H 1 8.362 . . . . . . . . . . . 4266 1 284 . 1 1 46 46 PHE HA H 1 4.532 . . . . . . . . . . . 4266 1 285 . 1 1 46 46 PHE HB2 H 1 3.098 . . . . . . . . . . . 4266 1 286 . 1 1 46 46 PHE HB3 H 1 3.098 . . . . . . . . . . . 4266 1 287 . 1 1 46 46 PHE HD1 H 1 7.233 . . . . . . . . . . . 4266 1 288 . 1 1 46 46 PHE HE1 H 1 7.333 . . . . . . . . . . . 4266 1 289 . 1 1 47 47 ALA H H 1 8.015 . . . . . . . . . . . 4266 1 290 . 1 1 47 47 ALA HA H 1 4.216 . . . . . . . . . . . 4266 1 291 . 1 1 47 47 ALA HB1 H 1 1.164 . . . . . . . . . . . 4266 1 292 . 1 1 47 47 ALA HB2 H 1 1.164 . . . . . . . . . . . 4266 1 293 . 1 1 47 47 ALA HB3 H 1 1.164 . . . . . . . . . . . 4266 1 stop_ save_