################################### # 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 36019 _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_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 0.01 _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' 1 $sample_1 anisotropic 36019 1 2 '2D DQF-COSY' 1 $sample_1 anisotropic 36019 1 3 '2D 1H-1H NOESY' 1 $sample_1 anisotropic 36019 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 36019 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 LEU HA H 1 4.030 0.01 . . . . . A 1 LEU HA . 36019 1 2 . 1 1 2 2 ARG H H 1 8.744 0.01 . . . . . A 2 ARG H . 36019 1 3 . 1 1 2 2 ARG HA H 1 4.463 0.01 . . . . . A 2 ARG HA . 36019 1 4 . 1 1 2 2 ARG HB2 H 1 1.752 0.01 . . . . . A 2 ARG HB2 . 36019 1 5 . 1 1 2 2 ARG HB3 H 1 1.800 0.01 . . . . . A 2 ARG HB3 . 36019 1 6 . 1 1 2 2 ARG HG2 H 1 1.576 0.01 . . . . . A 2 ARG HG2 . 36019 1 7 . 1 1 2 2 ARG HG3 H 1 1.651 0.01 . . . . . A 2 ARG HG3 . 36019 1 8 . 1 1 2 2 ARG HD2 H 1 3.182 0.01 . . . . . A 2 ARG HD2 . 36019 1 9 . 1 1 2 2 ARG HD3 H 1 3.182 0.01 . . . . . A 2 ARG HD3 . 36019 1 10 . 1 1 3 3 VAL H H 1 8.343 0.01 . . . . . A 3 VAL H . 36019 1 11 . 1 1 3 3 VAL HA H 1 4.154 0.01 . . . . . A 3 VAL HA . 36019 1 12 . 1 1 3 3 VAL HB H 1 2.009 0.01 . . . . . A 3 VAL HB . 36019 1 13 . 1 1 3 3 VAL HG11 H 1 0.914 0.01 . . . . . A 3 VAL HG11 . 36019 1 14 . 1 1 3 3 VAL HG12 H 1 0.914 0.01 . . . . . A 3 VAL HG12 . 36019 1 15 . 1 1 3 3 VAL HG13 H 1 0.914 0.01 . . . . . A 3 VAL HG13 . 36019 1 16 . 1 1 3 3 VAL HG21 H 1 0.914 0.01 . . . . . A 3 VAL HG21 . 36019 1 17 . 1 1 3 3 VAL HG22 H 1 0.914 0.01 . . . . . A 3 VAL HG22 . 36019 1 18 . 1 1 3 3 VAL HG23 H 1 0.914 0.01 . . . . . A 3 VAL HG23 . 36019 1 19 . 1 1 4 4 ARG H H 1 8.562 0.01 . . . . . A 4 ARG H . 36019 1 20 . 1 1 4 4 ARG HA H 1 4.387 0.01 . . . . . A 4 ARG HA . 36019 1 21 . 1 1 4 4 ARG HB2 H 1 1.728 0.01 . . . . . A 4 ARG HB2 . 36019 1 22 . 1 1 4 4 ARG HB3 H 1 1.774 0.01 . . . . . A 4 ARG HB3 . 36019 1 23 . 1 1 4 4 ARG HG2 H 1 1.542 0.01 . . . . . A 4 ARG HG2 . 36019 1 24 . 1 1 4 4 ARG HG3 H 1 1.616 0.01 . . . . . A 4 ARG HG3 . 36019 1 25 . 1 1 4 4 ARG HD2 H 1 3.148 0.01 . . . . . A 4 ARG HD2 . 36019 1 26 . 1 1 4 4 ARG HD3 H 1 3.148 0.01 . . . . . A 4 ARG HD3 . 36019 1 27 . 1 1 5 5 ARG H H 1 8.513 0.01 . . . . . A 5 ARG H . 36019 1 28 . 1 1 5 5 ARG HA H 1 4.540 0.01 . . . . . A 5 ARG HA . 36019 1 29 . 1 1 5 5 ARG HB2 H 1 1.754 0.01 . . . . . A 5 ARG HB2 . 36019 1 30 . 1 1 5 5 ARG HB3 H 1 1.821 0.01 . . . . . A 5 ARG HB3 . 36019 1 31 . 1 1 5 5 ARG HG2 H 1 1.592 0.01 . . . . . A 5 ARG HG2 . 36019 1 32 . 1 1 5 5 ARG HG3 H 1 1.670 0.01 . . . . . A 5 ARG HG3 . 36019 1 33 . 1 1 5 5 ARG HD2 H 1 3.186 0.01 . . . . . A 5 ARG HD2 . 36019 1 34 . 1 1 5 5 ARG HD3 H 1 3.186 0.01 . . . . . A 5 ARG HD3 . 36019 1 35 . 1 1 6 6 THR H H 1 8.396 0.01 . . . . . A 6 THR H . 36019 1 36 . 1 1 6 6 THR HA H 1 4.384 0.01 . . . . . A 6 THR HA . 36019 1 37 . 1 1 6 6 THR HB H 1 4.204 0.01 . . . . . A 6 THR HB . 36019 1 38 . 1 1 6 6 THR HG21 H 1 1.181 0.01 . . . . . A 6 THR HG21 . 36019 1 39 . 1 1 6 6 THR HG22 H 1 1.181 0.01 . . . . . A 6 THR HG22 . 36019 1 40 . 1 1 6 6 THR HG23 H 1 1.181 0.01 . . . . . A 6 THR HG23 . 36019 1 41 . 1 1 7 7 LEU H H 1 8.180 0.01 . . . . . A 7 LEU H . 36019 1 42 . 1 1 7 7 LEU HA H 1 4.754 0.01 . . . . . A 7 LEU HA . 36019 1 43 . 1 1 7 7 LEU HB2 H 1 1.563 0.01 . . . . . A 7 LEU HB2 . 36019 1 44 . 1 1 7 7 LEU HB3 H 1 1.563 0.01 . . . . . A 7 LEU HB3 . 36019 1 45 . 1 1 7 7 LEU HD11 H 1 0.830 0.01 . . . . . A 7 LEU HD11 . 36019 1 46 . 1 1 7 7 LEU HD12 H 1 0.830 0.01 . . . . . A 7 LEU HD12 . 36019 1 47 . 1 1 7 7 LEU HD13 H 1 0.830 0.01 . . . . . A 7 LEU HD13 . 36019 1 48 . 1 1 7 7 LEU HD21 H 1 0.830 0.01 . . . . . A 7 LEU HD21 . 36019 1 49 . 1 1 7 7 LEU HD22 H 1 0.830 0.01 . . . . . A 7 LEU HD22 . 36019 1 50 . 1 1 7 7 LEU HD23 H 1 0.830 0.01 . . . . . A 7 LEU HD23 . 36019 1 51 . 1 1 8 8 GLN H H 1 8.828 0.01 . . . . . A 8 GLN H . 36019 1 52 . 1 1 8 8 GLN HA H 1 4.596 0.01 . . . . . A 8 GLN HA . 36019 1 53 . 1 1 8 8 GLN HB2 H 1 1.967 0.01 . . . . . A 8 GLN HB2 . 36019 1 54 . 1 1 8 8 GLN HB3 H 1 2.078 0.01 . . . . . A 8 GLN HB3 . 36019 1 55 . 1 1 8 8 GLN HG2 H 1 2.264 0.01 . . . . . A 8 GLN HG2 . 36019 1 56 . 1 1 8 8 GLN HG3 H 1 2.309 0.01 . . . . . A 8 GLN HG3 . 36019 1 57 . 1 1 9 9 CYS H H 1 8.942 0.01 . . . . . A 9 CYS H . 36019 1 58 . 1 1 9 9 CYS HA H 1 5.528 0.01 . . . . . A 9 CYS HA . 36019 1 59 . 1 1 9 9 CYS HB2 H 1 2.876 0.01 . . . . . A 9 CYS HB2 . 36019 1 60 . 1 1 9 9 CYS HB3 H 1 3.064 0.01 . . . . . A 9 CYS HB3 . 36019 1 61 . 1 1 10 10 SER H H 1 8.420 0.01 . . . . . A 10 SER H . 36019 1 62 . 1 1 10 10 SER HA H 1 4.517 0.01 . . . . . A 10 SER HA . 36019 1 63 . 1 1 10 10 SER HB2 H 1 3.866 0.01 . . . . . A 10 SER HB2 . 36019 1 64 . 1 1 10 10 SER HB3 H 1 3.866 0.01 . . . . . A 10 SER HB3 . 36019 1 65 . 1 1 11 11 CYS H H 1 8.877 0.01 . . . . . A 11 CYS H . 36019 1 66 . 1 1 11 11 CYS HA H 1 5.585 0.01 . . . . . A 11 CYS HA . 36019 1 67 . 1 1 11 11 CYS HB2 H 1 2.816 0.01 . . . . . A 11 CYS HB2 . 36019 1 68 . 1 1 11 11 CYS HB3 H 1 3.018 0.01 . . . . . A 11 CYS HB3 . 36019 1 69 . 1 1 12 12 ARG H H 1 8.889 0.01 . . . . . A 12 ARG H . 36019 1 70 . 1 1 12 12 ARG HA H 1 4.653 0.01 . . . . . A 12 ARG HA . 36019 1 71 . 1 1 12 12 ARG HB2 H 1 1.750 0.01 . . . . . A 12 ARG HB2 . 36019 1 72 . 1 1 12 12 ARG HB3 H 1 1.807 0.01 . . . . . A 12 ARG HB3 . 36019 1 73 . 1 1 12 12 ARG HG2 H 1 1.491 0.01 . . . . . A 12 ARG HG2 . 36019 1 74 . 1 1 12 12 ARG HG3 H 1 1.600 0.01 . . . . . A 12 ARG HG3 . 36019 1 75 . 1 1 13 13 ARG H H 1 8.673 0.01 . . . . . A 13 ARG H . 36019 1 76 . 1 1 13 13 ARG HA H 1 4.884 0.01 . . . . . A 13 ARG HA . 36019 1 77 . 1 1 13 13 ARG HB2 H 1 1.750 0.01 . . . . . A 13 ARG HB2 . 36019 1 78 . 1 1 13 13 ARG HB3 H 1 1.750 0.01 . . . . . A 13 ARG HB3 . 36019 1 79 . 1 1 13 13 ARG HG2 H 1 1.450 0.01 . . . . . A 13 ARG HG2 . 36019 1 80 . 1 1 13 13 ARG HG3 H 1 1.692 0.01 . . . . . A 13 ARG HG3 . 36019 1 81 . 1 1 14 14 VAL H H 1 8.853 0.01 . . . . . A 14 VAL H . 36019 1 82 . 1 1 14 14 VAL HA H 1 4.389 0.01 . . . . . A 14 VAL HA . 36019 1 83 . 1 1 14 14 VAL HB H 1 2.007 0.01 . . . . . A 14 VAL HB . 36019 1 84 . 1 1 14 14 VAL HG11 H 1 0.920 0.01 . . . . . A 14 VAL HG11 . 36019 1 85 . 1 1 14 14 VAL HG12 H 1 0.920 0.01 . . . . . A 14 VAL HG12 . 36019 1 86 . 1 1 14 14 VAL HG13 H 1 0.920 0.01 . . . . . A 14 VAL HG13 . 36019 1 87 . 1 1 14 14 VAL HG21 H 1 0.920 0.01 . . . . . A 14 VAL HG21 . 36019 1 88 . 1 1 14 14 VAL HG22 H 1 0.920 0.01 . . . . . A 14 VAL HG22 . 36019 1 89 . 1 1 14 14 VAL HG23 H 1 0.920 0.01 . . . . . A 14 VAL HG23 . 36019 1 90 . 1 1 15 15 CYS H H 1 9.024 0.01 . . . . . A 15 CYS H . 36019 1 91 . 1 1 15 15 CYS HA H 1 5.679 0.01 . . . . . A 15 CYS HA . 36019 1 92 . 1 1 15 15 CYS HB2 H 1 2.549 0.01 . . . . . A 15 CYS HB2 . 36019 1 93 . 1 1 15 15 CYS HB3 H 1 3.058 0.01 . . . . . A 15 CYS HB3 . 36019 1 94 . 1 1 16 16 ARG H H 1 8.880 0.01 . . . . . A 16 ARG H . 36019 1 95 . 1 1 16 16 ARG HA H 1 4.648 0.01 . . . . . A 16 ARG HA . 36019 1 96 . 1 1 16 16 ARG HB2 H 1 1.756 0.01 . . . . . A 16 ARG HB2 . 36019 1 97 . 1 1 16 16 ARG HB3 H 1 1.801 0.01 . . . . . A 16 ARG HB3 . 36019 1 98 . 1 1 17 17 ASN H H 1 8.961 0.01 . . . . . A 17 ASN H . 36019 1 99 . 1 1 17 17 ASN HA H 1 5.304 0.01 . . . . . A 17 ASN HA . 36019 1 100 . 1 1 17 17 ASN HB2 H 1 2.616 0.01 . . . . . A 17 ASN HB2 . 36019 1 101 . 1 1 17 17 ASN HB3 H 1 2.659 0.01 . . . . . A 17 ASN HB3 . 36019 1 102 . 1 1 18 18 THR H H 1 9.088 0.01 . . . . . A 18 THR H . 36019 1 103 . 1 1 18 18 THR HA H 1 4.642 0.01 . . . . . A 18 THR HA . 36019 1 104 . 1 1 18 18 THR HB H 1 4.064 0.01 . . . . . A 18 THR HB . 36019 1 105 . 1 1 18 18 THR HG21 H 1 1.203 0.01 . . . . . A 18 THR HG21 . 36019 1 106 . 1 1 18 18 THR HG22 H 1 1.203 0.01 . . . . . A 18 THR HG22 . 36019 1 107 . 1 1 18 18 THR HG23 H 1 1.203 0.01 . . . . . A 18 THR HG23 . 36019 1 108 . 1 1 19 19 CYS H H 1 9.037 0.01 . . . . . A 19 CYS H . 36019 1 109 . 1 1 19 19 CYS HA H 1 5.612 0.01 . . . . . A 19 CYS HA . 36019 1 110 . 1 1 19 19 CYS HB2 H 1 2.854 0.01 . . . . . A 19 CYS HB2 . 36019 1 111 . 1 1 19 19 CYS HB3 H 1 3.063 0.01 . . . . . A 19 CYS HB3 . 36019 1 112 . 1 1 20 20 SER H H 1 8.890 0.01 . . . . . A 20 SER H . 36019 1 113 . 1 1 20 20 SER HA H 1 4.751 0.01 . . . . . A 20 SER HA . 36019 1 114 . 1 1 20 20 SER HB2 H 1 3.872 0.01 . . . . . A 20 SER HB2 . 36019 1 115 . 1 1 20 20 SER HB3 H 1 3.872 0.01 . . . . . A 20 SER HB3 . 36019 1 116 . 1 1 21 21 CYS H H 1 8.857 0.01 . . . . . A 21 CYS H . 36019 1 117 . 1 1 21 21 CYS HA H 1 5.496 0.01 . . . . . A 21 CYS HA . 36019 1 118 . 1 1 21 21 CYS HB2 H 1 2.789 0.01 . . . . . A 21 CYS HB2 . 36019 1 119 . 1 1 21 21 CYS HB3 H 1 3.056 0.01 . . . . . A 21 CYS HB3 . 36019 1 120 . 1 1 22 22 ILE H H 1 8.628 0.01 . . . . . A 22 ILE H . 36019 1 121 . 1 1 22 22 ILE HA H 1 4.410 0.01 . . . . . A 22 ILE HA . 36019 1 122 . 1 1 22 22 ILE HB H 1 1.873 0.01 . . . . . A 22 ILE HB . 36019 1 123 . 1 1 22 22 ILE HG12 H 1 1.176 0.01 . . . . . A 22 ILE HG12 . 36019 1 124 . 1 1 22 22 ILE HG13 H 1 1.176 0.01 . . . . . A 22 ILE HG13 . 36019 1 125 . 1 1 22 22 ILE HG21 H 1 0.910 0.01 . . . . . A 22 ILE HG21 . 36019 1 126 . 1 1 22 22 ILE HG22 H 1 0.910 0.01 . . . . . A 22 ILE HG22 . 36019 1 127 . 1 1 22 22 ILE HG23 H 1 0.910 0.01 . . . . . A 22 ILE HG23 . 36019 1 128 . 1 1 22 22 ILE HD11 H 1 0.854 0.01 . . . . . A 22 ILE HD11 . 36019 1 129 . 1 1 22 22 ILE HD12 H 1 0.854 0.01 . . . . . A 22 ILE HD12 . 36019 1 130 . 1 1 22 22 ILE HD13 H 1 0.854 0.01 . . . . . A 22 ILE HD13 . 36019 1 131 . 1 1 23 23 ARG H H 1 8.526 0.01 . . . . . A 23 ARG H . 36019 1 132 . 1 1 23 23 ARG HA H 1 4.586 0.01 . . . . . A 23 ARG HA . 36019 1 133 . 1 1 23 23 ARG HB2 H 1 1.742 0.01 . . . . . A 23 ARG HB2 . 36019 1 134 . 1 1 23 23 ARG HB3 H 1 1.776 0.01 . . . . . A 23 ARG HB3 . 36019 1 135 . 1 1 23 23 ARG HG2 H 1 1.563 0.01 . . . . . A 23 ARG HG2 . 36019 1 136 . 1 1 23 23 ARG HG3 H 1 1.660 0.01 . . . . . A 23 ARG HG3 . 36019 1 137 . 1 1 23 23 ARG HD2 H 1 3.177 0.01 . . . . . A 23 ARG HD2 . 36019 1 138 . 1 1 23 23 ARG HD3 H 1 3.177 0.01 . . . . . A 23 ARG HD3 . 36019 1 139 . 1 1 24 24 LEU H H 1 8.430 0.01 . . . . . A 24 LEU H . 36019 1 140 . 1 1 24 24 LEU HA H 1 4.436 0.01 . . . . . A 24 LEU HA . 36019 1 141 . 1 1 24 24 LEU HB2 H 1 1.778 0.01 . . . . . A 24 LEU HB2 . 36019 1 142 . 1 1 24 24 LEU HB3 H 1 1.579 0.01 . . . . . A 24 LEU HB3 . 36019 1 143 . 1 1 24 24 LEU HG H 1 1.579 0.01 . . . . . A 24 LEU HG . 36019 1 144 . 1 1 24 24 LEU HD11 H 1 0.852 0.01 . . . . . A 24 LEU HD11 . 36019 1 145 . 1 1 24 24 LEU HD12 H 1 0.852 0.01 . . . . . A 24 LEU HD12 . 36019 1 146 . 1 1 24 24 LEU HD13 H 1 0.852 0.01 . . . . . A 24 LEU HD13 . 36019 1 147 . 1 1 24 24 LEU HD21 H 1 0.852 0.01 . . . . . A 24 LEU HD21 . 36019 1 148 . 1 1 24 24 LEU HD22 H 1 0.852 0.01 . . . . . A 24 LEU HD22 . 36019 1 149 . 1 1 24 24 LEU HD23 H 1 0.852 0.01 . . . . . A 24 LEU HD23 . 36019 1 150 . 1 1 25 25 SER H H 1 8.835 0.01 . . . . . A 25 SER H . 36019 1 151 . 1 1 25 25 SER HA H 1 4.751 0.01 . . . . . A 25 SER HA . 36019 1 152 . 1 1 25 25 SER HB2 H 1 3.850 0.01 . . . . . A 25 SER HB2 . 36019 1 153 . 1 1 25 25 SER HB3 H 1 3.901 0.01 . . . . . A 25 SER HB3 . 36019 1 154 . 1 1 26 26 ARG H H 1 8.369 0.01 . . . . . A 26 ARG H . 36019 1 155 . 1 1 26 26 ARG HA H 1 4.392 0.01 . . . . . A 26 ARG HA . 36019 1 156 . 1 1 26 26 ARG HB2 H 1 1.769 0.01 . . . . . A 26 ARG HB2 . 36019 1 157 . 1 1 26 26 ARG HB3 H 1 1.885 0.01 . . . . . A 26 ARG HB3 . 36019 1 158 . 1 1 26 26 ARG HG2 H 1 1.630 0.01 . . . . . A 26 ARG HG2 . 36019 1 159 . 1 1 26 26 ARG HG3 H 1 1.630 0.01 . . . . . A 26 ARG HG3 . 36019 1 160 . 1 1 26 26 ARG HD2 H 1 3.192 0.01 . . . . . A 26 ARG HD2 . 36019 1 161 . 1 1 26 26 ARG HD3 H 1 3.192 0.01 . . . . . A 26 ARG HD3 . 36019 1 162 . 1 1 27 27 SER H H 1 8.407 0.01 . . . . . A 27 SER H . 36019 1 163 . 1 1 27 27 SER HA H 1 4.517 0.01 . . . . . A 27 SER HA . 36019 1 164 . 1 1 27 27 SER HB2 H 1 3.812 0.01 . . . . . A 27 SER HB2 . 36019 1 165 . 1 1 27 27 SER HB3 H 1 3.879 0.01 . . . . . A 27 SER HB3 . 36019 1 166 . 1 1 28 28 THR H H 1 8.077 0.01 . . . . . A 28 THR H . 36019 1 167 . 1 1 28 28 THR HA H 1 4.312 0.01 . . . . . A 28 THR HA . 36019 1 168 . 1 1 28 28 THR HB H 1 4.151 0.01 . . . . . A 28 THR HB . 36019 1 169 . 1 1 28 28 THR HG21 H 1 1.114 0.01 . . . . . A 28 THR HG21 . 36019 1 170 . 1 1 28 28 THR HG22 H 1 1.114 0.01 . . . . . A 28 THR HG22 . 36019 1 171 . 1 1 28 28 THR HG23 H 1 1.114 0.01 . . . . . A 28 THR HG23 . 36019 1 172 . 1 1 29 29 TYR H H 1 8.139 0.01 . . . . . A 29 TYR H . 36019 1 173 . 1 1 29 29 TYR HA H 1 4.618 0.01 . . . . . A 29 TYR HA . 36019 1 174 . 1 1 29 29 TYR HB2 H 1 2.919 0.01 . . . . . A 29 TYR HB2 . 36019 1 175 . 1 1 29 29 TYR HB3 H 1 3.099 0.01 . . . . . A 29 TYR HB3 . 36019 1 176 . 1 1 29 29 TYR HD1 H 1 7.100 0.01 . . . . . A 29 TYR HD1 . 36019 1 177 . 1 1 29 29 TYR HD2 H 1 7.100 0.01 . . . . . A 29 TYR HD2 . 36019 1 178 . 1 1 30 30 ALA H H 1 8.194 0.01 . . . . . A 30 ALA H . 36019 1 179 . 1 1 30 30 ALA HA H 1 4.383 0.01 . . . . . A 30 ALA HA . 36019 1 180 . 1 1 30 30 ALA HB1 H 1 1.377 0.01 . . . . . A 30 ALA HB1 . 36019 1 181 . 1 1 30 30 ALA HB2 H 1 1.377 0.01 . . . . . A 30 ALA HB2 . 36019 1 182 . 1 1 30 30 ALA HB3 H 1 1.377 0.01 . . . . . A 30 ALA HB3 . 36019 1 183 . 1 1 31 31 SER H H 1 7.881 0.01 . . . . . A 31 SER H . 36019 1 184 . 1 1 31 31 SER HA H 1 4.262 0.01 . . . . . A 31 SER HA . 36019 1 185 . 1 1 31 31 SER HB2 H 1 3.862 0.01 . . . . . A 31 SER HB2 . 36019 1 186 . 1 1 31 31 SER HB3 H 1 3.862 0.01 . . . . . A 31 SER HB3 . 36019 1 stop_ save_